.615521 .00000 -6.1080 3 365.0160 6 415091303 1 0 2 0 0 2 CH3CN, v8=1
1.229880 .00000 -5.3169 3 361.3445 10 415091303 2-1 3 1 1 3 CH3CN, v8=1
1.230963 .00000 -5.3547 3 379.8434 10 415091303 2 1 2 1 1 2 CH3CN, v8=1
1.231037 .00000 -5.2001 3 365.6315 10 415091303 2 0 2 1 0 2 CH3CN, v8=1
1.232254 .00000 -5.3153 3 361.3457 10 415091303 2 1 3 1-1 3 CH3CN, v8=1
1.844812 .00000 -4.7181 3 362.5744 14 415091303 3 1 3 2-1 3 CH3CN, v8=1
1.846251 .00000 -5.0103 3 405.2084 14 415091303 3 2 2 2-2 2 CH3CN, v8=1
1.846251 .00000 -5.0103 3 405.2084 14 415091303 3-2 2 2 2 2 CH3CN, v8=1
1.846434 .00000 -4.7559 3 381.0743 14 415091303 3 1 2 2 1 2 CH3CN, v8=1
1.846544 .00000 -4.6751 3 366.8625 14 415091303 3 0 2 2 0 2 CH3CN, v8=1
1.846570 .00000 -4.9332 3 368.2162 14 415091303 3 2 3 2 2 3 CH3CN, v8=1
1.848373 .00000 -4.7164 3 362.5779 14 415091303 3-1 3 2 1 3 CH3CN, v8=1
2.459734 .00000 -4.3246 3 364.4192 18 -415091303 4-1 3 3 1 3 CH3CN, v8=1
2.461312 .00000 -4.8148 3 441.1053 18 415091303 4 3 2 3 3 2 CH3CN, v8=1
2.461651 .00000 -4.5097 3 407.0547 18 415091303 4 2 2 3-2 2 CH3CN, v8=1
2.461651 .00000 -4.5097 3 407.0547 18 415091303 4-2 2 3 2 2 CH3CN, v8=1
2.461895 .00000 -4.3624 3 382.9208 18 -415091303 4 1 2 3 1 2 CH3CN, v8=1
2.461942 .00000 -4.6990 3 385.6278 18 415091303 4 3 3 3 3 3 CH3CN, v8=1
2.462037 .00000 -4.3048 3 368.7091 18 -415091303 4 0 2 3 0 2 CH3CN, v8=1
2.462086 .00000 -4.4325 3 370.0628 18 415091303 4 2 3 3 2 3 CH3CN, v8=1
2.464485 .00000 -4.3230 3 364.4263 18 -415091303 4 1 3 3-1 3 CH3CN, v8=1
3.074644 .00000 -4.0294 3 366.8789 22 -415091303 5 1 3 4-1 3 CH3CN, v8=1
3.076071 .00000 -4.7062 3 487.5257 22 415091303 5 4 2 4 4 2 CH3CN, v8=1
3.076614 .00000 -4.3647 3 443.5666 22 415091303 5 3 2 4 3 2 CH3CN, v8=1
3.077037 .00000 -4.1755 3 409.5163 22 -415091303 5 2 2 4-2 2 CH3CN, v8=1
3.077037 .00000 -4.1755 3 409.5163 22 -415091303 5-2 2 4 2 2 CH3CN, v8=1
3.077117 .00000 -4.5520 3 413.5761 22 415091303 5 4 3 4-4 3 CH3CN, v8=1
3.077117 .00000 -4.5520 3 413.5761 22 415091303 5-4 3 4 4 3 CH3CN, v8=1
3.077339 .00000 -4.0672 3 385.3827 22 -415091303 5 1 2 4 1 2 CH3CN, v8=1
3.077409 .00000 -4.2489 3 388.0898 22 -415091303 5 3 3 4 3 3 CH3CN, v8=1
3.077510 .00000 -4.0198 3 371.1711 22 -415091303 5 0 2 4 0 2 CH3CN, v8=1
3.077596 .00000 -4.0983 3 372.5249 22 -415091303 5 2 3 4 2 3 CH3CN, v8=1
3.080582 .00000 -4.0277 3 366.8908 22 -415091303 5-1 3 4 1 3 CH3CN, v8=1
3.689539 .00000 -3.7934 3 369.9536 26 -415091303 6-1 3 5 1 3 CH3CN, v8=1
3.690455 .00000 -4.6593 3 544.4591 26 415091303 6 5 2 5-5 2 CH3CN, v8=1
3.690455 .00000 -4.6593 3 544.4591 26 415091303 6-5 2 5 5 2 CH3CN, v8=1
3.691248 .00000 -4.2873 3 490.6017 26 415091303 6 4 2 5 4 2 CH3CN, v8=1
3.691898 .00000 -4.0653 3 446.6432 26 415091303 6 3 2 5 3 2 CH3CN, v8=1
3.692020 .00000 -4.4665 3 452.0547 26 415091303 6 5 3 5 5 3 CH3CN, v8=1
3.692407 .00000 -3.9204 3 412.5934 26 -415091303 6 2 2 5-2 2 CH3CN, v8=1
3.692407 .00000 -3.9204 3 412.5934 26 -415091303 6-2 2 5 2 2 CH3CN, v8=1
3.692512 .00000 -4.1330 3 416.6532 26 415091303 6 4 3 5-4 3 CH3CN, v8=1
3.692512 .00000 -4.1330 3 416.6532 26 415091303 6-4 3 5 4 3 CH3CN, v8=1
3.692766 .00000 -3.8312 3 388.4600 26 -415091303 6 1 2 5 1 2 CH3CN, v8=1
3.692867 .00000 -3.9495 3 391.1672 26 415091303 6 3 3 5 3 3 CH3CN, v8=1
3.692962 .00000 -3.7893 3 374.2486 26 -415091303 6 0 2 5 0 2 CH3CN, v8=1
3.693098 .00000 -3.8433 3 375.6025 26 -415091303 6 2 3 5 2 3 CH3CN, v8=1
3.696662 .00000 -3.7917 3 369.9714 26 -415091303 6 1 3 5-1 3 CH3CN, v8=1
4.304390 .00000 -4.6611 3 611.8925 30 415091303 7 6 2 6 6 2 CH3CN, v8=1
4.304417 .00000 -3.5976 3 373.6431 30 -415091303 7 1 3 6-1 3 CH3CN, v8=1
4.305480 .00000 -4.2619 3 548.1495 30 415091303 7 5 2 6-5 2 CH3CN, v8=1
4.305480 .00000 -4.2619 3 548.1495 30 415091303 7-5 2 6 5 2 CH3CN, v8=1
4.306404 .00000 -4.0112 3 494.2930 30 415091303 7 4 2 6 4 2 CH3CN, v8=1
4.306575 .00000 -4.4299 3 501.0550 30 415091303 7 6 3 6 6 3 CH3CN, v8=1
4.307164 .00000 -3.8360 3 450.3351 30 -415091303 7 3 2 6 3 2 CH3CN, v8=1
4.307315 .00000 -4.0691 3 455.7467 30 415091303 7 5 3 6 5 3 CH3CN, v8=1
4.307751 .00000 -3.7138 3 416.2858 30 -415091303 7 2 2 6-2 2 CH3CN, v8=1
4.307751 .00000 -3.7138 3 416.2858 30 -415091303 7-2 2 6 2 2 CH3CN, v8=1
4.307891 .00000 -3.8569 3 420.3457 30 415091303 7 4 3 6-4 3 CH3CN, v8=1
4.307891 .00000 -3.8569 3 420.3457 30 415091303 7-4 3 6 4 3 CH3CN, v8=1
4.308165 .00000 -3.6354 3 392.1528 30 -415091303 7 1 2 6 1 2 CH3CN, v8=1
4.308310 .00000 -3.7202 3 394.8601 30 -415091303 7 3 3 6 3 3 CH3CN, v8=1
4.308385 .00000 -3.5968 3 377.9416 30 -415091303 7 0 2 6 0 2 CH3CN, v8=1
4.308590 .00000 -3.6366 3 379.2956 30 -415091303 7 2 3 6 2 3 CH3CN, v8=1
4.312725 .00000 -3.5960 3 373.6680 30 -415091303 7-1 3 6 1 3 CH3CN, v8=1
4.917802 .00000 -4.7042 3 689.8105 34 415091303 8 7 2 7 7 2 CH3CN, v8=1
4.919236 .00000 -4.2795 3 616.1969 34 415091303 8 6 2 7 6 2 CH3CN, v8=1
4.919271 .00000 -3.4311 3 377.9475 34 -415091303 8-1 3 7 1 3 CH3CN, v8=1
4.920483 .00000 -4.0026 3 552.4550 34 -415091303 8 5 2 7-5 2 CH3CN, v8=1
4.920483 .00000 -4.0026 3 552.4550 34 -415091303 8-5 2 7 5 2 CH3CN, v8=1
4.920711 .00000 -4.4345 3 560.5659 34 415091303 8 7 3 7-7 3 CH3CN, v8=1
4.920711 .00000 -4.4345 3 560.5659 34 415091303 8-7 3 7 7 3 CH3CN, v8=1
4.921538 .00000 -3.8001 3 498.5994 34 -415091303 8 4 2 7 4 2 CH3CN, v8=1
4.921744 .00000 -4.0483 3 505.3616 34 415091303 8 6 3 7 6 3 CH3CN, v8=1
4.922401 .00000 -3.6493 3 454.6422 34 -415091303 8 3 2 7 3 2 CH3CN, v8=1
4.922591 .00000 -3.8099 3 460.0540 34 415091303 8 5 3 7 5 3 CH3CN, v8=1
4.923070 .00000 -3.5405 3 420.5935 34 -415091303 8 2 2 7-2 2 CH3CN, v8=1
4.923070 .00000 -3.5405 3 420.5935 34 -415091303 8-2 2 7 2 2 CH3CN, v8=1
4.923253 .00000 -3.6458 3 424.6536 34 -415091303 8 4 3 7-4 3 CH3CN, v8=1
4.923253 .00000 -3.6458 3 424.6536 34 -415091303 8-4 3 7 4 3 CH3CN, v8=1
4.923539 .00000 -3.4690 3 396.4609 34 -415091303 8 1 2 7 1 2 CH3CN, v8=1
4.923733 .00000 -3.5335 3 399.1684 34 -415091303 8 3 3 7 3 3 CH3CN, v8=1
4.923774 .00000 -3.4325 3 382.2500 34 -415091303 8 0 2 7 0 2 CH3CN, v8=1
4.924070 .00000 -3.4633 3 383.6041 34 -415091303 8 2 3 7 2 3 CH3CN, v8=1
4.928765 .00000 -3.4295 3 377.9808 34 -415091303 8 1 3 7-1 3 CH3CN, v8=1
5.530621 .00000 -4.7837 3 778.1953 38 415091303 9 8 2 8-8 2 CH3CN, v8=1
5.530621 .00000 -4.7837 3 778.1953 38 415091303 9-8 2 8 8 2 CH3CN, v8=1
5.532445 .00000 -4.3349 3 694.7283 38 415091303 9 7 2 8 7 2 CH3CN, v8=1
5.534056 .00000 -4.0333 3 621.1161 38 415091303 9 6 2 8 6 2 CH3CN, v8=1
5.534100 .00000 -3.2871 3 382.8668 38 415091303 9 1 3 8-1 3 CH3CN, v8=1
5.534352 .00000 -4.4757 3 630.5741 38 415091303 9 8 3 8 8 3 CH3CN, v8=1
5.535456 .00000 -3.8053 3 557.3755 38 415091303 9 5 2 8-5 2 CH3CN, v8=1
5.535456 .00000 -3.8053 3 557.3755 38 415091303 9-5 2 8 5 2 CH3CN, v8=1
5.535727 .00000 -4.0652 3 565.4866 38 415091303 9 7 3 8-7 3 CH3CN, v8=1
5.535727 .00000 -4.0652 3 565.4866 38 415091303 9-7 3 8 7 3 CH3CN, v8=1
5.536641 .00000 -3.6282 3 503.5209 38 415091303 9 4 2 8 4 2 CH3CN, v8=1
5.536891 .00000 -3.8020 3 510.2833 38 415091303 9 6 3 8 6 3 CH3CN, v8=1
5.537611 .00000 -3.4921 3 459.5646 38 415091303 9 3 2 8 3 2 CH3CN, v8=1
5.537845 .00000 -3.6125 3 464.9766 38 415091303 9 5 3 8 5 3 CH3CN, v8=1
5.538361 .00000 -3.3919 3 425.5166 38 415091303 9 2 2 8-2 2 CH3CN, v8=1
5.538361 .00000 -3.3919 3 425.5166 38 415091303 9-2 2 8 2 2 CH3CN, v8=1
5.538593 .00000 -3.4739 3 429.5769 38 415091303 9 4 3 8-4 3 CH3CN, v8=1
5.538593 .00000 -3.4739 3 429.5769 38 415091303 9-4 3 8 4 3 CH3CN, v8=1
5.538882 .00000 -3.3250 3 401.3845 38 415091303 9 1 2 8 1 2 CH3CN, v8=1
5.539126 .00000 -3.2899 3 387.1737 38 415091303 9 0 2 8 0 2 CH3CN, v8=1
5.539142 .00000 -3.3763 3 404.0921 38 415091303 9 3 3 8 3 3 CH3CN, v8=1
5.539540 .00000 -3.3147 3 388.5282 38 415091303 9 2 3 8 2 3 CH3CN, v8=1
5.544780 .00000 -3.2855 3 382.9095 38 415091303 9-1 3 8 1 3 CH3CN, v8=1
6.142775 .00000 -4.8965 3 877.0266 42 41509130310 9 2 9 9 2 CH3CN, v8=1
6.145033 .00000 -4.4243 3 783.7259 42 41509130310 8 2 9-8 2 CH3CN, v8=1
6.145033 .00000 -4.4243 3 783.7259 42 41509130310-8 2 9 8 2 CH3CN, v8=1
6.147057 .00000 -4.0989 3 700.2607 42 41509130310 7 2 9 7 2 CH3CN, v8=1
6.147426 .00000 -4.5502 3 711.0639 42 41509130310 9 3 9 9 3 CH3CN, v8=1
6.148847 .00000 -3.8467 3 626.6502 42 41509130310 6 2 9 6 2 CH3CN, v8=1
6.148902 .00000 -3.1610 3 388.4009 42 41509130310-1 3 9 1 3 CH3CN, v8=1
6.149189 .00000 -4.1162 3 636.1085 42 41509130310 8 3 9 8 3 CH3CN, v8=1
6.150400 .00000 -3.6448 3 562.9110 42 41509130310 5 2 9-5 2 CH3CN, v8=1
6.150400 .00000 -3.6448 3 562.9110 42 41509130310-5 2 9 5 2 CH3CN, v8=1
6.150718 .00000 -3.8292 3 571.0223 42 41509130310 7 3 9-7 3 CH3CN, v8=1
6.150718 .00000 -3.8292 3 571.0223 42 41509130310-7 3 9 7 3 CH3CN, v8=1
6.151716 .00000 -3.4833 3 509.0576 42 41509130310 4 2 9 4 2 CH3CN, v8=1
6.152013 .00000 -3.6154 3 515.8202 42 41509130310 6 3 9 6 3 CH3CN, v8=1
6.152790 .00000 -3.3568 3 465.1023 42 41509130310 3 2 9 3 2 CH3CN, v8=1
6.153075 .00000 -3.4520 3 470.5145 42 41509130310 5 3 9 5 3 CH3CN, v8=1
6.153619 .00000 -3.2625 3 431.0549 42 41509130310 2 2 9-2 2 CH3CN, v8=1
6.153619 .00000 -3.2625 3 431.0549 42 41509130310-2 2 9 2 2 CH3CN, v8=1
6.153909 .00000 -3.3289 3 435.1155 42 41509130310 4 3 9-4 3 CH3CN, v8=1
6.153909 .00000 -3.3289 3 435.1155 42 41509130310-4 3 9 4 3 CH3CN, v8=1
6.154190 .00000 -3.1988 3 406.9234 42 41509130310 1 2 9 1 2 CH3CN, v8=1
6.154436 .00000 -3.1649 3 392.7129 42 41509130310 0 2 9 0 2 CH3CN, v8=1
6.154528 .00000 -3.2410 3 409.6312 42 41509130310 3 3 9 3 3 CH3CN, v8=1
6.154994 .00000 -3.1853 3 394.0678 42 41509130310 2 3 9 2 3 CH3CN, v8=1
6.160767 .00000 -3.1594 3 388.4543 42 41509130310 1 3 9-1 3 CH3CN, v8=1
6.754193 .00000 -5.0401 3 986.2813 46 4150913031110 2 1010 2 CH3CN, v8=1
6.756929 .00000 -4.5452 3 883.1694 46 41509130311 9 2 10 9 2 CH3CN, v8=1
6.759412 .00000 -4.1967 3 789.8710 46 41509130311 8 2 10-8 2 CH3CN, v8=1
6.759412 .00000 -4.1967 3 789.8710 46 41509130311-8 2 10 8 2 CH3CN, v8=1
6.759861 .00000 -4.6556 3 802.0174 46 4150913031110 3 10a0 3 CH3CN, v8=1
6.759861 .00000 -4.6556 3 802.0174 46 41509130311a0 3 1010 3 CH3CN, v8=1
6.761637 .00000 -3.9212 3 706.4078 46 41509130311 7 2 10 7 2 CH3CN, v8=1
6.762058 .00000 -4.1989 3 717.2114 46 41509130311 9 3 10 9 3 CH3CN, v8=1
6.763604 .00000 -3.6955 3 632.7990 46 41509130311 6 2 10 6 2 CH3CN, v8=1
6.763672 .00000 -3.0495 3 394.5498 46 41509130311 1 3 10-1 3 CH3CN, v8=1
6.763998 .00000 -3.8887 3 642.2577 46 41509130311 8 3 10 8 3 CH3CN, v8=1
6.765311 .00000 -3.5097 3 569.0614 46 41509130311 5 2 10-5 2 CH3CN, v8=1
6.765311 .00000 -3.5097 3 569.0614 46 41509130311-5 2 10 5 2 CH3CN, v8=1
6.765680 .00000 -3.6515 3 577.1731 46 41509130311 7 3 10-7 3 CH3CN, v8=1
6.765680 .00000 -3.6515 3 577.1731 46 41509130311-7 3 10 7 3 CH3CN, v8=1
6.766756 .00000 -3.3584 3 515.2093 46 41509130311 4 2 10 4 2 CH3CN, v8=1
6.767106 .00000 -3.4643 3 521.9722 46 41509130311 6 3 10 6 3 CH3CN, v8=1
6.767935 .00000 -3.2387 3 471.2550 46 41509130311 3 2 10 3 2 CH3CN, v8=1
6.768278 .00000 -3.3169 3 476.6675 46 41509130311 5 3 10 5 3 CH3CN, v8=1
6.768841 .00000 -3.1487 3 437.2086 46 41509130311 2 2 10-2 2 CH3CN, v8=1
6.768841 .00000 -3.1487 3 437.2086 46 41509130311-2 2 10 2 2 CH3CN, v8=1
6.769200 .00000 -3.2041 3 441.2694 46 41509130311 4 3 10-4 3 CH3CN, v8=1
6.769200 .00000 -3.2041 3 441.2694 46 41509130311-4 3 10 4 3 CH3CN, v8=1
6.769459 .00000 -3.0874 3 413.0776 46 41509130311 1 2 10 1 2 CH3CN, v8=1
6.769700 .00000 -3.0542 3 398.8673 46 41509130311 0 2 10 0 2 CH3CN, v8=1
6.769890 .00000 -3.1229 3 415.7858 46 41509130311 3 3 10 3 3 CH3CN, v8=1
6.770433 .00000 -3.0715 3 400.2228 46 41509130311 2 3 10 2 3 CH3CN, v8=1
6.776722 .00000 -3.0480 3 394.6151 46 41509130311-1 3 10 1 3 CH3CN, v8=1
7.364810 .00000 -5.2131 3 1105.9323 50 4150913031211 2 11a1 2 CH3CN, v8=1
7.364810 .00000 -5.2131 3 1105.9323 50 41509130312a1 2 1111 2 CH3CN, v8=1
7.368065 .00000 -4.6959 3 993.0355 50 4150913031210 2 1110 2 CH3CN, v8=1
7.371048 .00000 -4.3249 3 889.9263 50 41509130312 9 2 11 9 2 CH3CN, v8=1
7.371584 .00000 -4.7905 3 903.4142 50 4150913031211 3 1111 3 CH3CN, v8=1
7.373755 .00000 -4.0265 3 796.6304 50 41509130312 8 2 11-8 2 CH3CN, v8=1
7.373755 .00000 -4.0265 3 796.6304 50 41509130312-8 2 11 8 2 CH3CN, v8=1
7.374260 .00000 -4.3113 3 808.7772 50 4150913031210 3 11a0 3 CH3CN, v8=1
7.374260 .00000 -4.3113 3 808.7772 50 41509130312a0 3 1110 3 CH3CN, v8=1
7.376181 .00000 -3.7778 3 713.1694 50 41509130312 7 2 11 7 2 CH3CN, v8=1
7.376658 .00000 -3.9786 3 723.9734 50 41509130312 9 3 11 9 3 CH3CN, v8=1
7.378326 .00000 -3.5685 3 639.5626 50 41509130312 6 2 11 6 2 CH3CN, v8=1
7.378409 .00000 -2.9503 3 401.3135 50 41509130312-1 3 11 1 3 CH3CN, v8=1
7.378774 .00000 -3.7185 3 649.0217 50 41509130312 8 3 11 8 3 CH3CN, v8=1
7.380185 .00000 -3.3934 3 575.8267 50 41509130312 5 2 11-5 2 CH3CN, v8=1
7.380185 .00000 -3.3934 3 575.8267 50 41509130312-5 2 11 5 2 CH3CN, v8=1
7.380611 .00000 -3.5080 3 583.9387 50 41509130312 7 3 11-7 3 CH3CN, v8=1
7.380611 .00000 -3.5080 3 583.9387 50 41509130312-7 3 11 7 3 CH3CN, v8=1
7.381758 .00000 -3.2494 3 521.9760 50 41509130312 4 2 11 4 2 CH3CN, v8=1
7.382169 .00000 -3.3372 3 528.7393 50 41509130312 6 3 11 6 3 CH3CN, v8=1
7.383040 .00000 -3.1345 3 478.0230 50 41509130312 3 2 11 3 2 CH3CN, v8=1
7.383450 .00000 -3.2005 3 483.4358 50 41509130312 5 3 11 5 3 CH3CN, v8=1
7.384023 .00000 -3.0477 3 443.9774 50 41509130312 2 2 11-2 2 CH3CN, v8=1
7.384023 .00000 -3.0477 3 443.9774 50 41509130312-2 2 11 2 2 CH3CN, v8=1
7.384462 .00000 -3.0950 3 448.0386 50 41509130312 4 3 11-4 3 CH3CN, v8=1
7.384462 .00000 -3.0950 3 448.0386 50 41509130312-4 3 11 4 3 CH3CN, v8=1
7.384684 .00000 -2.9882 3 419.8470 50 41509130312 1 2 11 1 2 CH3CN, v8=1
7.384912 .00000 -2.9556 3 405.6370 50 41509130312 0 2 11 0 2 CH3CN, v8=1
7.385227 .00000 -3.0188 3 422.5557 50 41509130312 3 3 11 3 3 CH3CN, v8=1
7.385855 .00000 -2.9705 3 406.9932 50 41509130312 2 3 11 2 3 CH3CN, v8=1
7.392643 .00000 -2.9488 3 401.3918 50 41509130312 1 3 11-1 3 CH3CN, v8=1
7.870392 .00000 -7.2955 3 430.9969 62 41509130315 0 2 14 2 3 CH3CN, v8=1
7.974583 .00000 -5.4140 3 1235.9429 54 4150913031312 2 1212 2 CH3CN, v8=1
7.978374 .00000 -4.8748 3 1113.2971 54 4150913031311 2 12a1 2 CH3CN, v8=1
7.978374 .00000 -4.8748 3 1113.2971 54 41509130313a1 2 1211 2 CH3CN, v8=1
7.981899 .00000 -4.4817 3 1000.4036 54 4150913031310 2 1210 2 CH3CN, v8=1
7.982524 .00000 -4.9535 3 1015.2320 54 4150913031312 3 1212 3 CH3CN, v8=1
7.985129 .00000 -4.1610 3 897.2974 54 41509130313 9 2 12 9 2 CH3CN, v8=1
7.985726 .00000 -4.4523 3 910.7858 54 4150913031311 3 1211 3 CH3CN, v8=1
7.988060 .00000 -3.8896 3 804.0041 54 41509130313 8 2 12-8 2 CH3CN, v8=1
7.988060 .00000 -3.8896 3 804.0041 54 41509130313-8 2 12 8 2 CH3CN, v8=1
7.988626 .00000 -4.0972 3 816.1515 54 4150913031310 3 12a0 3 CH3CN, v8=1
7.988626 .00000 -4.0972 3 816.1515 54 41509130313a0 3 1210 3 CH3CN, v8=1
7.990686 .00000 -3.6575 3 720.5456 54 41509130313 7 2 12 7 2 CH3CN, v8=1
7.991223 .00000 -3.8147 3 731.3501 54 41509130313 9 3 12 9 3 CH3CN, v8=1
7.993007 .00000 -3.4593 3 646.9409 54 41509130313 6 2 12 6 2 CH3CN, v8=1
7.993109 .00000 -2.8616 3 408.6919 54 41509130313 1 3 12-1 3 CH3CN, v8=1
7.993517 .00000 -3.5816 3 656.4004 54 41509130313 8 3 12 8 3 CH3CN, v8=1
7.995019 .00000 -3.2918 3 583.2068 54 41509130313 5 2 12-5 2 CH3CN, v8=1
7.995019 .00000 -3.2918 3 583.2068 54 41509130313-5 2 12 5 2 CH3CN, v8=1
7.995508 .00000 -3.3878 3 591.3194 54 41509130313 7 3 12-7 3 CH3CN, v8=1
7.995508 .00000 -3.3878 3 591.3194 54 41509130313-7 3 12 7 3 CH3CN, v8=1
7.996720 .00000 -3.1532 3 529.3578 54 41509130313 4 2 12 4 2 CH3CN, v8=1
7.997198 .00000 -3.2280 3 536.1215 54 41509130313 6 3 12 6 3 CH3CN, v8=1
7.998104 .00000 -3.0420 3 485.4060 54 41509130313 3 2 12 3 2 CH3CN, v8=1
7.998590 .00000 -3.0990 3 490.8193 54 41509130313 5 3 12 5 3 CH3CN, v8=1
7.999162 .00000 -2.9576 3 451.3614 54 41509130313-2 2 12 2 2 CH3CN, v8=1
7.999162 .00000 -2.9576 3 451.3614 54 41509130313 2 2 12-2 2 CH3CN, v8=1
7.999693 .00000 -2.9988 3 455.4230 54 41509130313 4 3 12-4 3 CH3CN, v8=1
7.999693 .00000 -2.9988 3 455.4230 54 41509130313-4 3 12 4 3 CH3CN, v8=1
7.999864 .00000 -2.8995 3 427.2317 54 41509130313 1 2 12 1 2 CH3CN, v8=1
8.000068 .00000 -2.8673 3 413.0219 54 41509130313 0 2 12 0 2 CH3CN, v8=1
8.000535 .00000 -2.9262 3 429.9409 54 41509130313 3 3 12 3 3 CH3CN, v8=1
8.001257 .00000 -2.8804 3 414.3790 54 41509130313 2 3 12 2 3 CH3CN, v8=1
8.008525 .00000 -2.8601 3 408.7844 54 41509130313-1 3 12 1 3 CH3CN, v8=1
8.483552 .00000 -7.1644 3 440.2289 66 41509130316 0 2 15 2 3 CH3CN, v8=1
8.583850 .00000 -5.6416 3 1376.2016 58 4150913031413 2 1313 2 CH3CN, v8=1
8.587817 .00000 -5.0810 3 1243.9174 58 4150913031412 2 1312 2 CH3CN, v8=1
8.591898 .00000 -4.6661 3 1121.2754 58 4150913031411 2 13a1 2 CH3CN, v8=1
8.591898 .00000 -4.6661 3 1121.2754 58 41509130314a1 2 1311 2 CH3CN, v8=1
8.592610 .00000 -5.1435 3 1137.4461 58 4150913031413 3 13a3 3 CH3CN, v8=1
8.592610 .00000 -5.1435 3 1137.4461 58 41509130314a3 3 1313 3 CH3CN, v8=1
8.595692 .00000 -4.3234 3 1008.3855 58 4150913031410 2 1310 2 CH3CN, v8=1
8.596382 .00000 -4.6205 3 1023.2145 58 4150913031412 3 1312 3 CH3CN, v8=1
8.599169 .00000 -4.0299 3 905.2825 58 41509130314 9 2 13 9 2 CH3CN, v8=1
8.599830 .00000 -4.2435 3 918.7715 58 4150913031411 3 1311 3 CH3CN, v8=1
8.602323 .00000 -3.7754 3 811.9922 58 41509130314 8 2 13-8 2 CH3CN, v8=1
8.602323 .00000 -3.7754 3 811.9922 58 41509130314-8 2 13 8 2 CH3CN, v8=1
8.602953 .00000 -3.9389 3 824.1401 58 4150913031410 3 13a0 3 CH3CN, v8=1
8.602953 .00000 -3.9389 3 824.1401 58 41509130314a0 3 1310 3 CH3CN, v8=1
8.605149 .00000 -3.5545 3 728.5363 58 41509130314 7 2 13 7 2 CH3CN, v8=1
8.605751 .00000 -3.6836 3 739.3413 58 41509130314 9 3 13 9 3 CH3CN, v8=1
8.607646 .00000 -3.3642 3 654.9339 58 41509130314 6 2 13 6 2 CH3CN, v8=1
8.607768 .00000 -2.7820 3 416.6850 58 41509130314-1 3 13 1 3 CH3CN, v8=1
8.608222 .00000 -3.4674 3 664.3940 58 41509130314 8 3 13 8 3 CH3CN, v8=1
8.609810 .00000 -3.2023 3 591.2019 58 41509130314 5 2 13-5 2 CH3CN, v8=1
8.609810 .00000 -3.2023 3 591.2019 58 41509130314-5 2 13 5 2 CH3CN, v8=1
8.610369 .00000 -3.2848 3 599.3149 58 41509130314 7 3 13-7 3 CH3CN, v8=1
8.610369 .00000 -3.2848 3 599.3149 58 41509130314-7 3 13 7 3 CH3CN, v8=1
8.611637 .00000 -3.0677 3 537.3545 58 41509130314 4 2 13 4 2 CH3CN, v8=1
8.612191 .00000 -3.1329 3 544.1187 58 41509130314 6 3 13 6 3 CH3CN, v8=1
8.613122 .00000 -2.9595 3 493.4041 58 41509130314 3 2 13 3 2 CH3CN, v8=1
8.613695 .00000 -3.0095 3 498.8179 58 41509130314 5 3 13 5 3 CH3CN, v8=1
8.614253 .00000 -2.8770 3 459.3606 58 41509130314 2 2 13-2 2 CH3CN, v8=1
8.614253 .00000 -2.8770 3 459.3606 58 41509130314-2 2 13 2 2 CH3CN, v8=1
8.614890 .00000 -2.9134 3 463.4227 58 41509130314 4 3 13-4 3 CH3CN, v8=1
8.614890 .00000 -2.9134 3 463.4227 58 41509130314-4 3 13 4 3 CH3CN, v8=1
8.614992 .00000 -2.8199 3 435.2316 58 41509130314 1 2 13 1 2 CH3CN, v8=1
8.615164 .00000 -2.7881 3 421.0220 58 41509130314 0 2 13 0 2 CH3CN, v8=1
8.615813 .00000 -2.8436 3 437.9414 58 41509130314 3 3 13 3 3 CH3CN, v8=1
8.616638 .00000 -2.7997 3 422.3803 58 41509130314 2 3 13 2 3 CH3CN, v8=1
8.624367 .00000 -2.7805 3 416.7930 58 41509130314 1 3 13-1 3 CH3CN, v8=1
8.742052 .00000 -7.3087 3 405.6370 50 41509130312 2 3 11 0 2 CH3CN, v8=1
9.096266 .00000 -7.0455 3 450.0763 70 41509130317 0 2 16 2 3 CH3CN, v8=1
9.191740 .00000 -5.8966 3 1527.3413 62 4150913031514 2 14a4 2 CH3CN, v8=1
9.191740 .00000 -5.8966 3 1527.3413 62 41509130315a4 2 1414 2 CH3CN, v8=1
9.196757 .00000 -5.3134 3 1384.7854 62 4150913031513 2 1413 2 CH3CN, v8=1
9.201007 .00000 -4.8771 3 1252.5053 62 4150913031512 2 1412 2 CH3CN, v8=1
9.201772 .00000 -5.3596 3 1270.0299 62 4150913031514 3 1414 3 CH3CN, v8=1
9.205378 .00000 -4.5127 3 1129.8673 62 4150913031511 2 14a1 2 CH3CN, v8=1
9.205378 .00000 -4.5127 3 1129.8673 62 41509130315a1 2 1411 2 CH3CN, v8=1
9.206158 .00000 -4.8152 3 1146.0387 62 4150913031513 3 14a3 3 CH3CN, v8=1
9.206158 .00000 -4.8152 3 1146.0387 62 41509130315a3 3 1413 3 CH3CN, v8=1
9.209440 .00000 -4.1974 3 1016.9812 62 4150913031510 2 1410 2 CH3CN, v8=1
9.210199 .00000 -4.4166 3 1031.8109 62 4150913031512 3 1412 3 CH3CN, v8=1
9.213164 .00000 -3.9208 3 913.8817 62 41509130315 9 2 14 9 2 CH3CN, v8=1
9.213893 .00000 -4.0902 3 927.3713 62 4150913031511 3 1411 3 CH3CN, v8=1
9.216540 .00000 -3.6777 3 820.5945 62 41509130315 8 2 14-8 2 CH3CN, v8=1
9.216540 .00000 -3.6777 3 820.5945 62 41509130315-8 2 14 8 2 CH3CN, v8=1
9.217240 .00000 -3.8129 3 832.7431 62 4150913031510 3 14a0 3 CH3CN, v8=1
9.217240 .00000 -3.8129 3 832.7431 62 41509130315a0 3 1410 3 CH3CN, v8=1
9.219566 .00000 -3.4649 3 737.1414 62 41509130315 7 2 14 7 2 CH3CN, v8=1
9.220238 .00000 -3.5745 3 747.9471 62 41509130315 9 3 14 9 3 CH3CN, v8=1
9.222238 .00000 -3.2805 3 663.5416 62 41509130315 6 2 14 6 2 CH3CN, v8=1
9.222384 .00000 -2.7104 3 425.2928 62 41509130315 1 3 14-1 3 CH3CN, v8=1
9.222887 .00000 -3.3697 3 673.0022 62 41509130315 8 3 14 8 3 CH3CN, v8=1
9.224553 .00000 -3.1229 3 599.8117 62 41509130315 5 2 14-5 2 CH3CN, v8=1
9.224553 .00000 -3.1229 3 599.8117 62 41509130315-5 2 14 5 2 CH3CN, v8=1
9.225189 .00000 -3.1953 3 607.9252 62 41509130315 7 3 14-7 3 CH3CN, v8=1
9.225189 .00000 -3.1953 3 607.9252 62 41509130315-7 3 14 7 3 CH3CN, v8=1
9.226507 .00000 -2.9915 3 545.9662 62 41509130315 4 2 14 4 2 CH3CN, v8=1
9.227145 .00000 -3.0492 3 552.7309 62 41509130315 6 3 14 6 3 CH3CN, v8=1
9.228092 .00000 -2.8855 3 502.0172 62 41509130315 3 2 14 3 2 CH3CN, v8=1
9.228761 .00000 -2.9301 3 507.4316 62 41509130315 5 3 14 5 3 CH3CN, v8=1
9.229293 .00000 -2.8045 3 467.9748 62 41509130315 2 2 14-2 2 CH3CN, v8=1
9.229293 .00000 -2.8045 3 467.9748 62 41509130315-2 2 14 2 2 CH3CN, v8=1
9.230051 .00000 -2.8371 3 472.0376 62 41509130315 4 3 14-4 3 CH3CN, v8=1
9.230051 .00000 -2.8371 3 472.0376 62 41509130315-4 3 14 4 3 CH3CN, v8=1
9.230066 .00000 -2.7483 3 443.8466 62 41509130315 1 2 14 1 2 CH3CN, v8=1
9.230195 .00000 -2.7168 3 429.6371 62 41509130315 0 2 14 0 2 CH3CN, v8=1
9.231058 .00000 -2.7697 3 446.5572 62 41509130315 3 3 14 3 3 CH3CN, v8=1
9.231997 .00000 -2.7273 3 430.9969 62 41509130315 2 3 14 2 3 CH3CN, v8=1
9.240165 .00000 -2.7090 3 425.4173 62 41509130315-1 3 14 1 3 CH3CN, v8=1
9.358397 .00000 -7.1671 3 413.0219 54 41509130313 2 3 12 0 2 CH3CN, v8=1
9.708482 .00000 -6.9374 3 460.5389 74 41509130318 0 2 17 2 3 CH3CN, v8=1
9.797751 .00000 -6.1757 3 1688.1618 66 4150913031615 2 1515 2 CH3CN, v8=1
9.804277 .00000 -5.5726 3 1536.5330 66 4150913031614 2 15a4 2 CH3CN, v8=1
9.804277 .00000 -5.5726 3 1536.5330 66 41509130316a4 2 1514 2 CH3CN, v8=1
9.809618 .00000 -5.1139 3 1393.9822 66 4150913031613 2 1513 2 CH3CN, v8=1
9.809941 .00000 -5.6015 3 1412.9545 66 4150913031615 3 1515 3 CH3CN, v8=1
9.814151 .00000 -4.7282 3 1261.7063 66 4150913031612 2 1512 2 CH3CN, v8=1
9.814985 .00000 -5.0357 3 1279.2317 66 4150913031614 3 1514 3 CH3CN, v8=1
9.818811 .00000 -4.3912 3 1139.0727 66 4150913031611 2 15a1 2 CH3CN, v8=1
9.818811 .00000 -4.3912 3 1139.0727 66 41509130316a1 2 1511 2 CH3CN, v8=1
9.819663 .00000 -4.6156 3 1155.2449 66 4150913031613 3 15a3 3 CH3CN, v8=1
9.819663 .00000 -4.6156 3 1155.2449 66 41509130316a3 3 1513 3 CH3CN, v8=1
9.823142 .00000 -4.0930 3 1026.1906 66 4150913031610 2 1510 2 CH3CN, v8=1
9.823973 .00000 -4.2677 3 1041.0211 66 4150913031612 3 1512 3 CH3CN, v8=1
9.827111 .00000 -3.8280 3 923.0948 66 41509130316 9 2 15 9 2 CH3CN, v8=1
9.827914 .00000 -3.9687 3 936.5852 66 4150913031611 3 1511 3 CH3CN, v8=1
9.830709 .00000 -3.5931 3 829.8111 66 41509130316 8 2 15-8 2 CH3CN, v8=1
9.830709 .00000 -3.5931 3 829.8111 66 41509130316-8 2 15 8 2 CH3CN, v8=1
9.831483 .00000 -3.7085 3 841.9603 66 4150913031610 3 15a0 3 CH3CN, v8=1
9.831483 .00000 -3.7085 3 841.9603 66 41509130316a0 3 1510 3 CH3CN, v8=1
9.833934 .00000 -3.3863 3 746.3610 66 41509130316 7 2 15 7 2 CH3CN, v8=1
9.834682 .00000 -3.4817 3 757.1673 66 41509130316 9 3 15 9 3 CH3CN, v8=1
9.836781 .00000 -3.2063 3 672.7638 66 41509130316 6 2 15 6 2 CH3CN, v8=1
9.836953 .00000 -2.6459 3 434.5151 66 41509130316-1 3 15 1 3 CH3CN, v8=1
9.837509 .00000 -3.2851 3 682.2251 66 41509130316 8 3 15 8 3 CH3CN, v8=1
9.839246 .00000 -3.0522 3 609.0362 66 41509130316 5 2 15-5 2 CH3CN, v8=1
9.839246 .00000 -3.0522 3 609.0362 66 41509130316-5 2 15 5 2 CH3CN, v8=1
9.839967 .00000 -3.1167 3 617.1504 66 41509130316 7 3 15-7 3 CH3CN, v8=1
9.839967 .00000 -3.1167 3 617.1504 66 41509130316-7 3 15 7 3 CH3CN, v8=1
9.841325 .00000 -2.9233 3 555.1927 66 41509130316 4 2 15 4 2 CH3CN, v8=1
9.842057 .00000 -2.9751 3 561.9580 66 41509130316 6 3 15 6 3 CH3CN, v8=1
9.843009 .00000 -2.8191 3 511.2453 66 41509130316 3 2 15 3 2 CH3CN, v8=1
9.843786 .00000 -2.8594 3 516.6603 66 41509130316 5 3 15 5 3 CH3CN, v8=1
9.844279 .00000 -2.7394 3 477.2041 66 41509130316 2 2 15-2 2 CH3CN, v8=1
9.844279 .00000 -2.7394 3 477.2041 66 41509130316-2 2 15 2 2 CH3CN, v8=1
9.845082 .00000 -2.6839 3 453.0766 66 41509130316 1 2 15 1 2 CH3CN, v8=1
9.845157 .00000 -2.6527 3 438.8673 66 41509130316 0 2 15 0 2 CH3CN, v8=1
9.845172 .00000 -2.7689 3 481.2677 66 41509130316 4 3 15-4 3 CH3CN, v8=1
9.845172 .00000 -2.7689 3 481.2677 66 41509130316-4 3 15 4 3 CH3CN, v8=1
9.846267 .00000 -2.7032 3 455.7883 66 41509130316 3 3 15 3 3 CH3CN, v8=1
9.847331 .00000 -2.6621 3 440.2289 66 41509130316 2 3 15 2 3 CH3CN, v8=1
9.855915 .00000 -2.6446 3 434.6575 66 41509130316 1 3 15-1 3 CH3CN, v8=1
9.974968 .00000 -7.0381 3 421.0220 58 41509130314 2 3 13 0 2 CH3CN, v8=1
10.320147 .00000 -6.8391 3 471.6168 78 41509130319 0 2 18 2 3 CH3CN, v8=1
10.403226 .00000 -6.4800 3 1859.3657 70 4150913031716 2 1616 2 CH3CN, v8=1
10.409829 .00000 -5.8556 3 1697.9596 70 4150913031715 2 1615 2 CH3CN, v8=1
10.416766 .00000 -5.3770 3 1546.3373 70 4150913031714 2 16a4 2 CH3CN, v8=1
10.416766 .00000 -5.3770 3 1546.3373 70 41509130317a4 2 1614 2 CH3CN, v8=1
10.417047 .00000 -5.8682 3 1566.1890 70 4150913031716 3 16a6 3 CH3CN, v8=1
10.417047 .00000 -5.8682 3 1566.1890 70 41509130317a6 3 1616 3 CH3CN, v8=1
10.422429 .00000 -4.9690 3 1403.7918 70 4150913031713 2 1613 2 CH3CN, v8=1
10.422795 .00000 -5.2814 3 1422.7644 70 4150913031715 3 1615 3 CH3CN, v8=1
10.427246 .00000 -4.6108 3 1271.5204 70 4150913031712 2 1612 2 CH3CN, v8=1
10.428153 .00000 -4.8401 3 1289.0466 70 4150913031714 3 1614 3 CH3CN, v8=1
10.432194 .00000 -4.2910 3 1148.8915 70 4150913031711 2 16a1 2 CH3CN, v8=1
10.432194 .00000 -4.2910 3 1148.8915 70 41509130317a1 2 1611 2 CH3CN, v8=1
10.433123 .00000 -4.4708 3 1165.0646 70 4150913031713 3 16a3 3 CH3CN, v8=1
10.433123 .00000 -4.4708 3 1165.0646 70 41509130317a3 3 1613 3 CH3CN, v8=1
10.436792 .00000 -4.0044 3 1036.0137 70 4150913031710 2 1610 2 CH3CN, v8=1
10.437701 .00000 -4.1503 3 1050.8451 70 4150913031712 3 1612 3 CH3CN, v8=1
10.441006 .00000 -3.7477 3 932.9220 70 41509130317 9 2 16 9 2 CH3CN, v8=1
10.441888 .00000 -3.8685 3 946.4132 70 4150913031711 3 1611 3 CH3CN, v8=1
10.444827 .00000 -3.5190 3 839.6418 70 41509130317 8 2 16-8 2 CH3CN, v8=1
10.444827 .00000 -3.5190 3 839.6418 70 41509130317-8 2 16 8 2 CH3CN, v8=1
10.445681 .00000 -3.6199 3 851.7918 70 4150913031710 3 16a0 3 CH3CN, v8=1
10.445681 .00000 -3.6199 3 851.7918 70 41509130317a0 3 1610 3 CH3CN, v8=1
10.448250 .00000 -3.3169 3 756.1949 70 41509130317 7 2 16 7 2 CH3CN, v8=1
10.449080 .00000 -3.4014 3 767.0020 70 41509130317 9 3 16 9 3 CH3CN, v8=1
10.451271 .00000 -3.1405 3 682.6006 70 41509130317 6 2 16 6 2 CH3CN, v8=1
10.451473 .00000 -2.5879 3 444.3521 70 41509130317 1 3 16-1 3 CH3CN, v8=1
10.452085 .00000 -3.2110 3 692.0626 70 41509130317 8 3 16 8 3 CH3CN, v8=1
10.453886 .00000 -2.9890 3 618.8755 70 41509130317 5 2 16-5 2 CH3CN, v8=1
10.453886 .00000 -2.9890 3 618.8755 70 41509130317-5 2 16 5 2 CH3CN, v8=1
10.454699 .00000 -3.0472 3 626.9904 70 41509130317 7 3 16-7 3 CH3CN, v8=1
10.454699 .00000 -3.0472 3 626.9904 70 41509130317-7 3 16 7 3 CH3CN, v8=1
10.456089 .00000 -2.8621 3 565.0340 70 41509130317 4 2 16 4 2 CH3CN, v8=1
10.456923 .00000 -2.9092 3 571.8001 70 41509130317 6 3 16 6 3 CH3CN, v8=1
10.457870 .00000 -2.7595 3 521.0883 70 41509130317 3 2 16 3 2 CH3CN, v8=1
10.458768 .00000 -2.7962 3 526.5041 70 41509130317 5 3 16 5 3 CH3CN, v8=1
10.459207 .00000 -2.6808 3 487.0484 70 41509130317-2 2 16 2 2 CH3CN, v8=1
10.459207 .00000 -2.6808 3 487.0484 70 41509130317 2 2 16-2 2 CH3CN, v8=1
10.460036 .00000 -2.6259 3 462.9217 70 41509130317 1 2 16 1 2 CH3CN, v8=1
10.460045 .00000 -2.5948 3 448.7125 70 41509130317 0 2 16 0 2 CH3CN, v8=1
10.460252 .00000 -2.7078 3 491.1128 70 41509130317 4 3 16-4 3 CH3CN, v8=1
10.460252 .00000 -2.7078 3 491.1128 70 41509130317-4 3 16 4 3 CH3CN, v8=1
10.461439 .00000 -2.6437 3 465.6346 70 41509130317 3 3 16 3 3 CH3CN, v8=1
10.462639 .00000 -2.6035 3 450.0763 70 41509130317 2 3 16 2 3 CH3CN, v8=1
10.471616 .00000 -2.5866 3 444.5134 70 41509130317-1 3 16 1 3 CH3CN, v8=1
10.591801 .00000 -6.9202 3 429.6371 62 41509130315 2 3 14 0 2 CH3CN, v8=1
10.931205 .00000 -6.7503 3 483.3100 82 41509130320 0 2 19 2 3 CH3CN, v8=1
11.007515 .00000 -6.8088 3 2040.8009 74 4150913031817 2 17a7 2 CH3CN, v8=1
11.007515 .00000 -6.8088 3 2040.8009 74 41509130318a7 2 1717 2 CH3CN, v8=1
11.014868 .00000 -6.1635 3 1869.7690 74 4150913031816 2 1716 2 CH3CN, v8=1
11.021857 .00000 -5.6637 3 1708.3694 74 4150913031815 2 1715 2 CH3CN, v8=1
11.023024 .00000 -6.1596 3 1729.7008 74 4150913031817 3 1717 3 CH3CN, v8=1
11.029205 .00000 -5.2358 3 1556.7541 74 4150913031814 2 17a4 2 CH3CN, v8=1
11.029205 .00000 -5.2358 3 1556.7541 74 41509130318a4 2 1714 2 CH3CN, v8=1
11.029515 .00000 -5.5518 3 1576.6061 74 4150913031816 3 17a6 3 CH3CN, v8=1
11.029515 .00000 -5.5518 3 1576.6061 74 41509130318a6 3 1716 3 CH3CN, v8=1
11.035187 .00000 -4.8553 3 1414.2142 74 4150913031813 2 1713 2 CH3CN, v8=1
11.035600 .00000 -5.0895 3 1433.1872 74 4150913031815 3 1715 3 CH3CN, v8=1
11.040287 .00000 -4.5145 3 1281.9477 74 4150913031812 2 1712 2 CH3CN, v8=1
11.041271 .00000 -4.6990 3 1299.4748 74 4150913031814 3 1714 3 CH3CN, v8=1
11.045524 .00000 -4.2064 3 1159.3237 74 4150913031811 2 17a1 2 CH3CN, v8=1
11.045524 .00000 -4.2064 3 1159.3237 74 41509130318a1 2 1711 2 CH3CN, v8=1
11.046532 .00000 -4.3572 3 1175.4977 74 4150913031813 3 17a3 3 CH3CN, v8=1
11.046532 .00000 -4.3572 3 1175.4977 74 41509130318a3 3 1713 3 CH3CN, v8=1
11.050389 .00000 -3.9282 3 1046.4505 74 4150913031810 2 1710 2 CH3CN, v8=1
11.051380 .00000 -4.0540 3 1061.2828 74 4150913031812 3 1712 3 CH3CN, v8=1
11.054848 .00000 -3.6778 3 943.3630 74 41509130318 9 2 17 9 2 CH3CN, v8=1
11.055812 .00000 -3.7839 3 956.8550 74 4150913031811 3 1711 3 CH3CN, v8=1
11.058890 .00000 -3.4538 3 850.0866 74 41509130318 8 2 17-8 2 CH3CN, v8=1
11.058890 .00000 -3.4538 3 850.0866 74 41509130318-8 2 17 8 2 CH3CN, v8=1
11.059829 .00000 -3.5437 3 862.2375 74 4150913031810 3 17a0 3 CH3CN, v8=1
11.059829 .00000 -3.5437 3 862.2375 74 41509130318a0 3 1710 3 CH3CN, v8=1
11.062510 .00000 -3.2554 3 766.6432 74 41509130318 7 2 17 7 2 CH3CN, v8=1
11.063429 .00000 -3.3315 3 777.4511 74 41509130318 9 3 17 9 3 CH3CN, v8=1
11.065705 .00000 -3.0818 3 693.0519 74 41509130318 6 2 17 6 2 CH3CN, v8=1
11.065939 .00000 -2.5357 3 454.8036 74 41509130318-1 3 17 1 3 CH3CN, v8=1
11.066613 .00000 -3.1458 3 702.5147 74 41509130318 8 3 17 8 3 CH3CN, v8=1
11.068468 .00000 -2.9325 3 629.3294 74 41509130318 5 2 17-5 2 CH3CN, v8=1
11.068468 .00000 -2.9325 3 629.3294 74 41509130318-5 2 17 5 2 CH3CN, v8=1
11.069383 .00000 -2.9857 3 637.4451 74 41509130318 7 3 17-7 3 CH3CN, v8=1
11.069383 .00000 -2.9857 3 637.4451 74 41509130318-7 3 17 7 3 CH3CN, v8=1
11.070794 .00000 -2.8074 3 575.4901 74 41509130318 4 2 17 4 2 CH3CN, v8=1
11.071743 .00000 -2.8505 3 582.2570 74 41509130318 6 3 17 6 3 CH3CN, v8=1
11.072671 .00000 -2.7059 3 531.5462 74 41509130318 3 2 17 3 2 CH3CN, v8=1
11.073703 .00000 -2.7397 3 536.9629 74 41509130318 5 3 17 5 3 CH3CN, v8=1
11.074073 .00000 -2.6281 3 497.5076 74 41509130318 2 2 17-2 2 CH3CN, v8=1
11.074073 .00000 -2.6281 3 497.5076 74 41509130318-2 2 17 2 2 CH3CN, v8=1
11.074856 .00000 -2.5428 3 459.1725 74 41509130318 0 2 17 0 2 CH3CN, v8=1
11.074924 .00000 -2.5738 3 473.3817 74 41509130318 1 2 17 1 2 CH3CN, v8=1
11.075287 .00000 -2.6530 3 501.5731 74 41509130318 4 3 17-4 3 CH3CN, v8=1
11.075287 .00000 -2.6530 3 501.5731 74 41509130318-4 3 17 4 3 CH3CN, v8=1
11.076570 .00000 -2.5901 3 476.0960 74 41509130318 3 3 17 3 3 CH3CN, v8=1
11.077919 .00000 -2.5508 3 460.5389 74 41509130318 2 3 17 2 3 CH3CN, v8=1
11.087262 .00000 -2.5344 3 454.9850 74 41509130318 1 3 17-1 3 CH3CN, v8=1
11.208937 .00000 -6.8125 3 438.8673 66 41509130316 2 3 15 0 2 CH3CN, v8=1
11.541598 .00000 -6.6690 3 495.6184 86 41509130321 0 2 20 2 3 CH3CN, v8=1
11.610527 .00000 -7.1615 3 2232.4172 78 4150913031918 2 1818 2 CH3CN, v8=1
11.618699 .00000 -6.4956 3 2051.8084 78 4150913031917 2 18a7 2 CH3CN, v8=1
11.618699 .00000 -6.4956 3 2051.8084 78 41509130319a7 2 1817 2 CH3CN, v8=1
11.626457 .00000 -5.9750 3 1880.7838 78 4150913031916 2 1816 2 CH3CN, v8=1
11.627804 .00000 -6.4751 3 1903.4553 78 4150913031918 3 1818 3 CH3CN, v8=1
11.633830 .00000 -5.5259 3 1719.3912 78 4150913031915 2 1815 2 CH3CN, v8=1
11.635082 .00000 -5.8465 3 1740.7239 78 4150913031917 3 1817 3 CH3CN, v8=1
11.641590 .00000 -5.1257 3 1567.7833 78 4150913031914 2 18a4 2 CH3CN, v8=1
11.641590 .00000 -5.1257 3 1567.7833 78 41509130319a4 2 1814 2 CH3CN, v8=1
11.641932 .00000 -5.3632 3 1587.6356 78 4150913031916 3 18a6 3 CH3CN, v8=1
11.641932 .00000 -5.3632 3 1587.6356 78 41509130319a6 3 1816 3 CH3CN, v8=1
11.647890 .00000 -4.7625 3 1425.2494 78 4150913031913 2 1813 2 CH3CN, v8=1
11.648354 .00000 -4.9517 3 1444.2228 78 4150913031915 3 1815 3 CH3CN, v8=1
11.653273 .00000 -4.4335 3 1292.9879 78 4150913031912 2 1812 2 CH3CN, v8=1
11.654338 .00000 -4.5888 3 1310.5161 78 4150913031914 3 1814 3 CH3CN, v8=1
11.658797 .00000 -4.1339 3 1170.3692 78 4150913031911 2 18a1 2 CH3CN, v8=1
11.658797 .00000 -4.1339 3 1170.3692 78 41509130319a1 2 1811 2 CH3CN, v8=1
11.659890 .00000 -4.2644 3 1186.5442 78 4150913031913 3 18a3 3 CH3CN, v8=1
11.659890 .00000 -4.2644 3 1186.5442 78 41509130319a3 3 1813 3 CH3CN, v8=1
11.663929 .00000 -3.8620 3 1057.5009 78 4150913031910 2 1810 2 CH3CN, v8=1
11.665006 .00000 -3.9730 3 1072.3342 78 4150913031912 3 1812 3 CH3CN, v8=1
11.668632 .00000 -3.6165 3 954.4178 78 41509130319 9 2 18 9 2 CH3CN, v8=1
11.669685 .00000 -3.7113 3 967.9109 78 4150913031911 3 1811 3 CH3CN, v8=1
11.672894 .00000 -3.3962 3 861.1455 78 41509130319 8 2 18-8 2 CH3CN, v8=1
11.672894 .00000 -3.3962 3 861.1455 78 41509130319-8 2 18 8 2 CH3CN, v8=1
11.673925 .00000 -3.4776 3 873.2973 78 4150913031910 3 18a0 3 CH3CN, v8=1
11.673925 .00000 -3.4776 3 873.2973 78 41509130319a0 3 1810 3 CH3CN, v8=1
11.676712 .00000 -3.2008 3 777.7057 78 41509130319 7 2 18 7 2 CH3CN, v8=1
11.677726 .00000 -3.2702 3 788.5145 78 41509130319 9 3 18 9 3 CH3CN, v8=1
11.680079 .00000 -3.0295 3 704.1176 78 41509130319 6 2 18 6 2 CH3CN, v8=1
11.680351 .00000 -2.4888 3 465.8695 78 41509130319 1 3 18-1 3 CH3CN, v8=1
11.681088 .00000 -3.0883 3 713.5813 78 41509130319 8 3 18 8 3 CH3CN, v8=1
11.682991 .00000 -2.8821 3 640.3978 78 41509130319 5 2 18-5 2 CH3CN, v8=1
11.682991 .00000 -2.8821 3 640.3978 78 41509130319-5 2 18 5 2 CH3CN, v8=1
11.684015 .00000 -2.9311 3 648.5145 78 41509130319 7 3 18-7 3 CH3CN, v8=1
11.684015 .00000 -2.9311 3 648.5145 78 41509130319-7 3 18 7 3 CH3CN, v8=1
11.685439 .00000 -2.7584 3 586.5609 78 41509130319 4 2 18 4 2 CH3CN, v8=1
11.686511 .00000 -2.7983 3 593.3287 78 41509130319 6 3 18 6 3 CH3CN, v8=1
11.687410 .00000 -2.6579 3 542.6189 78 41509130319 3 2 18 3 2 CH3CN, v8=1
11.688589 .00000 -2.6893 3 548.0366 78 41509130319 5 3 18 5 3 CH3CN, v8=1
11.688874 .00000 -2.5808 3 508.5817 78 41509130319-2 2 18 2 2 CH3CN, v8=1
11.688874 .00000 -2.5808 3 508.5817 78 41509130319 2 2 18-2 2 CH3CN, v8=1
11.689584 .00000 -2.4961 3 470.2474 78 41509130319 0 2 18 0 2 CH3CN, v8=1
11.689741 .00000 -2.5269 3 484.4567 78 41509130319 1 2 18 1 2 CH3CN, v8=1
11.690276 .00000 -2.6040 3 512.6484 78 41509130319 4 3 18-4 3 CH3CN, v8=1
11.690276 .00000 -2.6040 3 512.6484 78 41509130319-4 3 18 4 3 CH3CN, v8=1
11.691659 .00000 -2.5421 3 487.1726 78 41509130319 3 3 18 3 3 CH3CN, v8=1
11.693168 .00000 -2.5035 3 471.6168 78 41509130319 2 3 18 2 3 CH3CN, v8=1
11.702852 .00000 -2.4876 3 466.0723 78 41509130319-1 3 18 1 3 CH3CN, v8=1
11.826419 .00000 -6.7138 3 448.7125 70 41509130317 2 3 16 0 2 CH3CN, v8=1
11.908775 -.00001 -7.5989 3 607.3921106 41509130326 2 2 25-4 3 CH3CN, v8=1
11.908775 -.00001 -7.5989 3 607.3921106 41509130326-2 2 25 4 3 CH3CN, v8=1
12.033851 -.00001 -7.1967 3 551.7808 98 41509130324 1 2 23 3 3 CH3CN, v8=1
12.151268 .00000 -6.5959 3 508.5419 90 41509130322 0 2 21 2 3 CH3CN, v8=1
12.221229 .00000 -6.8515 3 2244.0277 82 4150913032018 2 1918 2 CH3CN, v8=1
12.229827 .00000 -6.3102 3 2063.4271 82 4150913032017 2 19a7 2 CH3CN, v8=1
12.229827 .00000 -6.3102 3 2063.4271 82 41509130320a7 2 1917 2 CH3CN, v8=1
12.231321 .00000 -6.8143 3 2087.4158 82 4150913032019 3 19a9 3 CH3CN, v8=1
12.231321 .00000 -6.8143 3 2087.4158 82 41509130320a9 3 1919 3 CH3CN, v8=1
12.237989 .00000 -5.8404 3 1892.4103 82 4150913032016 2 1916 2 CH3CN, v8=1
12.239428 .00000 -6.1651 3 1915.0831 82 4150913032018 3 1918 3 CH3CN, v8=1
12.245746 .00000 -5.4191 3 1731.0251 82 4150913032015 2 1915 2 CH3CN, v8=1
12.247087 .00000 -5.6611 3 1752.3590 82 4150913032017 3 1917 3 CH3CN, v8=1
12.253919 .00000 -5.0362 3 1579.4249 82 4150913032014 2 19a4 2 CH3CN, v8=1
12.253919 .00000 -5.0362 3 1579.4249 82 41509130320a4 2 1914 2 CH3CN, v8=1
12.254295 .00000 -5.2287 3 1599.2775 82 4150913032016 3 19a6 3 CH3CN, v8=1
12.254295 .00000 -5.2287 3 1599.2775 82 41509130320a6 3 1916 3 CH3CN, v8=1
12.260534 .00000 -4.6849 3 1436.8973 82 4150913032013 2 1913 2 CH3CN, v8=1
12.261053 .00000 -4.8449 3 1455.8711 82 4150913032015 3 1915 3 CH3CN, v8=1
12.266199 .00000 -4.3643 3 1304.6412 82 4150913032012 2 1912 2 CH3CN, v8=1
12.267350 .00000 -4.4994 3 1322.1704 82 4150913032014 3 1914 3 CH3CN, v8=1
12.272011 .00000 -4.0711 3 1182.0280 82 4150913032011 2 19a1 2 CH3CN, v8=1
12.272011 .00000 -4.0711 3 1182.0280 82 41509130320a1 2 1911 2 CH3CN, v8=1
12.273194 .00000 -4.1867 3 1198.2041 82 4150913032013 3 19a3 3 CH3CN, v8=1
12.273194 .00000 -4.1867 3 1198.2041 82 41509130320a3 3 1913 3 CH3CN, v8=1
12.277409 .00000 -3.8042 3 1069.1649 82 4150913032010 2 1910 2 CH3CN, v8=1
12.278578 .00000 -3.9039 3 1083.9992 82 4150913032012 3 1912 3 CH3CN, v8=1
12.282355 .00000 -3.5625 3 966.0864 82 41509130320 9 2 19 9 2 CH3CN, v8=1
12.283502 .00000 -3.6487 3 979.5805 82 4150913032011 3 1911 3 CH3CN, v8=1
12.286838 .00000 -3.3453 3 872.8184 82 41509130320 8 2 19-8 2 CH3CN, v8=1
12.286838 .00000 -3.3453 3 872.8184 82 41509130320-8 2 19 8 2 CH3CN, v8=1
12.287965 .00000 -3.4198 3 884.9712 82 4150913032010 3 19a0 3 CH3CN, v8=1
12.287965 .00000 -3.4198 3 884.9712 82 41509130320a0 3 1910 3 CH3CN, v8=1
12.290851 .00000 -3.1523 3 789.3824 82 41509130320 7 2 19 7 2 CH3CN, v8=1
12.291968 .00000 -3.2162 3 800.1922 82 41509130320 9 3 19 9 3 CH3CN, v8=1
12.294390 .00000 -2.9830 3 715.7977 82 41509130320 6 2 19 6 2 CH3CN, v8=1
12.294703 .00000 -2.4469 3 477.5498 82 41509130320-1 3 19 1 3 CH3CN, v8=1
12.295509 .00000 -3.0374 3 725.2624 82 41509130320 8 3 19 8 3 CH3CN, v8=1
12.297449 .00000 -2.8372 3 652.0808 82 41509130320 5 2 19-5 2 CH3CN, v8=1
12.297449 .00000 -2.8372 3 652.0808 82 41509130320-5 2 19 5 2 CH3CN, v8=1
12.298594 .00000 -2.8827 3 660.1985 82 41509130320 7 3 19-7 3 CH3CN, v8=1
12.298594 .00000 -2.8827 3 660.1985 82 41509130320-7 3 19 7 3 CH3CN, v8=1
12.300018 .00000 -2.7146 3 598.2463 82 41509130320 4 2 19 4 2 CH3CN, v8=1
12.301227 .00000 -2.7518 3 605.0152 82 41509130320 6 3 19 6 3 CH3CN, v8=1
12.302082 .00000 -2.6150 3 554.3063 82 41509130320 3 2 19 3 2 CH3CN, v8=1
12.303423 .00000 -2.6443 3 559.7252 82 41509130320 5 3 19 5 3 CH3CN, v8=1
12.303606 .00000 -2.5385 3 520.2706 82 41509130320 2 2 19-2 2 CH3CN, v8=1
12.303606 .00000 -2.5385 3 520.2706 82 41509130320-2 2 19 2 2 CH3CN, v8=1
12.304226 .00000 -2.4544 3 481.9370 82 41509130320 0 2 19 0 2 CH3CN, v8=1
12.304486 .00000 -2.4850 3 496.1464 82 41509130320 1 2 19 1 2 CH3CN, v8=1
12.305214 .00000 -2.5602 3 524.3387 82 41509130320 4 3 19-4 3 CH3CN, v8=1
12.305214 .00000 -2.5602 3 524.3387 82 41509130320-4 3 19 4 3 CH3CN, v8=1
12.306703 .00000 -2.4992 3 498.8642 82 41509130320 3 3 19 3 3 CH3CN, v8=1
12.308385 .00000 -2.4612 3 483.3100 82 41509130320 2 3 19 2 3 CH3CN, v8=1
12.318382 .00000 -2.4457 3 477.7751 82 41509130320 1 3 19-1 3 CH3CN, v8=1
12.444293 .00000 -6.6237 3 459.1725 74 41509130318 2 3 17 0 2 CH3CN, v8=1
12.519621 -.00001 -7.5374 3 623.3858110 41509130327-2 2 26 4 3 CH3CN, v8=1
12.519621 -.00001 -7.5374 3 623.3858110 41509130327 2 2 26-4 3 CH3CN, v8=1
12.644444 -.00001 -7.1313 3 566.5472102 41509130325 1 2 24 3 3 CH3CN, v8=1
12.760154 .00000 -6.5301 3 522.0807 94 41509130323 0 2 22 2 3 CH3CN, v8=1
12.822391 .00000 -7.2308 3 2446.3839 86 4150913032119 2 2019 2 CH3CN, v8=1
12.831873 .00000 -6.6690 3 2256.2490 86 4150913032118 2 2018 2 CH3CN, v8=1
12.833512 .00000 -7.1770 3 2281.5443 86 4150913032120 3 2020 3 CH3CN, v8=1
12.840896 .00000 -6.1813 3 2075.6569 86 4150913032117 2 20a7 2 CH3CN, v8=1
12.840896 .00000 -6.1813 3 2075.6569 86 41509130321a7 2 2017 2 CH3CN, v8=1
12.842487 .00000 -6.5072 3 2099.6471 86 4150913032119 3 20a9 3 CH3CN, v8=1
12.842487 .00000 -6.5072 3 2099.6471 86 41509130321a9 3 2019 3 CH3CN, v8=1
12.849461 .00000 -5.7366 3 1904.6483 86 4150913032116 2 2016 2 CH3CN, v8=1
12.850996 .00000 -5.9827 3 1927.3225 86 4150913032118 3 2018 3 CH3CN, v8=1
12.857602 .00000 -5.3326 3 1743.2708 86 4150913032115 2 2015 2 CH3CN, v8=1
12.859035 .00000 -5.5296 3 1764.6060 86 4150913032117 3 2017 3 CH3CN, v8=1
12.866189 .00000 -4.9616 3 1591.6788 86 4150913032114 2 20a4 2 CH3CN, v8=1
12.866189 .00000 -4.9616 3 1591.6788 86 41509130321a4 2 2014 2 CH3CN, v8=1
12.866601 .00000 -5.1249 3 1611.5318 86 4150913032116 3 20a6 3 CH3CN, v8=1
12.866601 .00000 -5.1249 3 1611.5318 86 41509130321a6 3 2016 3 CH3CN, v8=1
12.873116 .00000 -4.6189 3 1449.1578 86 4150913032113 2 2013 2 CH3CN, v8=1
12.873695 .00000 -4.7585 3 1468.1322 86 4150913032115 3 2015 3 CH3CN, v8=1
12.879064 .00000 -4.3048 3 1316.9074 86 4150913032112 2 2012 2 CH3CN, v8=1
12.880305 .00000 -4.4248 3 1334.4378 86 4150913032114 3 2014 3 CH3CN, v8=1
12.885162 .00000 -4.0166 3 1194.3001 86 4150913032111 2 20a1 2 CH3CN, v8=1
12.885162 .00000 -4.0166 3 1194.3001 86 41509130321a1 2 2011 2 CH3CN, v8=1
12.886439 .00000 -4.1208 3 1210.4773 86 4150913032113 3 20a3 3 CH3CN, v8=1
12.886439 .00000 -4.1208 3 1210.4773 86 41509130321a3 3 2013 3 CH3CN, v8=1
12.890826 .00000 -3.7536 3 1081.4423 86 4150913032110 2 2010 2 CH3CN, v8=1
12.892091 .00000 -3.8444 3 1096.2777 86 4150913032112 3 2012 3 CH3CN, v8=1
12.896015 .00000 -3.5150 3 978.3688 86 41509130321 9 2 20 9 2 CH3CN, v8=1
12.897262 .00000 -3.5942 3 991.8640 86 4150913032111 3 2011 3 CH3CN, v8=1
12.900717 .00000 -3.3004 3 885.1052 86 41509130321 8 2 20-8 2 CH3CN, v8=1
12.900717 .00000 -3.3004 3 885.1052 86 41509130321-8 2 20 8 2 CH3CN, v8=1
12.901948 .00000 -3.3692 3 897.2592 86 4150913032110 3 20a0 3 CH3CN, v8=1
12.901948 .00000 -3.3692 3 897.2592 86 41509130321a0 3 2010 3 CH3CN, v8=1
12.904926 .00000 -3.1094 3 801.6733 86 41509130321 7 2 20 7 2 CH3CN, v8=1
12.906152 .00000 -3.1688 3 812.4842 86 41509130321 9 3 20 9 3 CH3CN, v8=1
12.908636 .00000 -2.9418 3 728.0921 86 41509130321 6 2 20 6 2 CH3CN, v8=1
12.908993 .00000 -2.4095 3 489.8446 86 41509130321 1 3 20-1 3 CH3CN, v8=1
12.909873 .00000 -2.9925 3 737.5579 86 41509130321 8 3 20 8 3 CH3CN, v8=1
12.911841 .00000 -2.7972 3 664.3783 86 41509130321 5 2 20-5 2 CH3CN, v8=1
12.911841 .00000 -2.7972 3 664.3783 86 41509130321-5 2 20 5 2 CH3CN, v8=1
12.913116 .00000 -2.8398 3 672.4971 86 41509130321 7 3 20-7 3 CH3CN, v8=1
12.913116 .00000 -2.8398 3 672.4971 86 41509130321-7 3 20 7 3 CH3CN, v8=1
12.914530 .00000 -2.6756 3 610.5463 86 41509130321 4 2 20 4 2 CH3CN, v8=1
12.915887 .00000 -2.7105 3 617.3165 86 41509130321 6 3 20 6 3 CH3CN, v8=1
12.916685 .00000 -2.5768 3 566.6084 86 41509130321 3 2 20 3 2 CH3CN, v8=1
12.918202 .00000 -2.6044 3 572.0286 86 41509130321 5 3 20 5 3 CH3CN, v8=1
12.918265 .00000 -2.5008 3 532.5742 86 41509130321-2 2 20 2 2 CH3CN, v8=1
12.918265 .00000 -2.5008 3 532.5742 86 41509130321 2 2 20-2 2 CH3CN, v8=1
12.918778 .00000 -2.4171 3 494.2412 86 41509130321 0 2 20 0 2 CH3CN, v8=1
12.919153 .00000 -2.4476 3 508.4509 86 41509130321 1 2 20 1 2 CH3CN, v8=1
12.920101 .00000 -2.5213 3 536.6439 86 41509130321 4 3 20-4 3 CH3CN, v8=1
12.920101 .00000 -2.5213 3 536.6439 86 41509130321-4 3 20 4 3 CH3CN, v8=1
12.921699 .00000 -2.4610 3 511.1709 86 41509130321 3 3 20 3 3 CH3CN, v8=1
12.923566 .00000 -2.4235 3 495.6184 86 41509130321 2 3 20 2 3 CH3CN, v8=1
12.933848 .00000 -2.4083 3 490.0935 86 41509130321-1 3 20 1 3 CH3CN, v8=1
13.062605 .00000 -6.5417 3 470.2474 78 41509130319 2 3 18 0 2 CH3CN, v8=1
13.130004 -.00001 -7.4817 3 639.9939114 41509130328 2 2 27-4 3 CH3CN, v8=1
13.130004 -.00001 -7.4817 3 639.9939114 41509130328-2 2 27 4 3 CH3CN, v8=1
13.174300 -.00001 -7.2053 3 462.9217 70 41509130317 3 3 16 1 2 CH3CN, v8=1
13.254481 -.00001 -7.0720 3 581.9284106 41509130326 1 2 25 3 3 CH3CN, v8=1
13.368196 .00000 -6.4712 3 536.2345 98 41509130324 0 2 23 2 3 CH3CN, v8=1
13.432528 .00000 -7.0511 3 2459.2063 90 4150913032219 2 2119 2 CH3CN, v8=1
13.442456 .00000 -6.5403 3 2269.0808 90 4150913032218 2 2118 2 CH3CN, v8=1
13.444195 .00000 -6.8727 3 2294.3778 90 4150913032220 3 2120 3 CH3CN, v8=1
13.451903 .00000 -6.0806 3 2088.4978 90 4150913032217 2 21a7 2 CH3CN, v8=1
13.451903 .00000 -6.0806 3 2088.4978 90 41509130322a7 2 2117 2 CH3CN, v8=1
13.453594 .00000 -6.3276 3 2112.4896 90 4150913032219 3 21a9 3 CH3CN, v8=1
13.453594 .00000 -6.3276 3 2112.4896 90 41509130322a9 3 2119 3 CH3CN, v8=1
13.460871 .00000 -5.6530 3 1917.4977 90 4150913032216 2 2116 2 CH3CN, v8=1
13.462505 .00000 -5.8540 3 1940.1735 90 4150913032218 3 2118 3 CH3CN, v8=1
13.469395 .00000 -5.2610 3 1756.1284 90 4150913032215 2 2115 2 CH3CN, v8=1
13.470923 .00000 -5.4286 3 1777.4651 90 4150913032217 3 2117 3 CH3CN, v8=1
13.478397 .00000 -4.8987 3 1604.5450 90 4150913032214 2 21a4 2 CH3CN, v8=1
13.478397 .00000 -4.8987 3 1604.5450 90 41509130322a4 2 2114 2 CH3CN, v8=1
13.478847 .00000 -5.0414 3 1624.3984 90 4150913032216 3 21a6 3 CH3CN, v8=1
13.478847 .00000 -5.0414 3 1624.3984 90 41509130322a6 3 2116 3 CH3CN, v8=1
13.485633 .00000 -4.5624 3 1462.0309 90 4150913032213 2 2113 2 CH3CN, v8=1
13.486277 .00000 -4.6869 3 1481.0059 90 4150913032215 3 2115 3 CH3CN, v8=1
13.491864 .00000 -4.2534 3 1329.7865 90 4150913032212 2 2112 2 CH3CN, v8=1
13.493199 .00000 -4.3619 3 1347.3181 90 4150913032214 3 2114 3 CH3CN, v8=1
13.498247 .00000 -3.9692 3 1207.1852 90 4150913032211 2 21a1 2 CH3CN, v8=1
13.498247 .00000 -3.9692 3 1207.1852 90 41509130322a1 2 2111 2 CH3CN, v8=1
13.499623 .00000 -4.0644 3 1223.3637 90 4150913032213 3 21a3 3 CH3CN, v8=1
13.499623 .00000 -4.0644 3 1223.3637 90 41509130322a3 3 2113 3 CH3CN, v8=1
13.504176 .00000 -3.7093 3 1094.3331 90 4150913032210 2 2110 2 CH3CN, v8=1
13.505544 .00000 -3.7930 3 1109.1698 90 4150913032212 3 2112 3 CH3CN, v8=1
13.509607 .00000 -3.4734 3 991.2648 90 41509130322 9 2 21 9 2 CH3CN, v8=1
13.510960 .00000 -3.5468 3 1004.7613 90 4150913032211 3 2111 3 CH3CN, v8=1
13.514528 .00000 -3.2608 3 898.0059 90 41509130322 8 2 21-8 2 CH3CN, v8=1
13.514528 .00000 -3.2608 3 898.0059 90 41509130322-8 2 21 8 2 CH3CN, v8=1
13.515871 .00000 -3.3250 3 910.1611 90 4150913032210 3 21a0 3 CH3CN, v8=1
13.515871 .00000 -3.3250 3 910.1611 90 41509130322a0 3 2110 3 CH3CN, v8=1
13.518932 .00000 -3.0715 3 814.5782 90 41509130322 7 2 21 7 2 CH3CN, v8=1
13.520275 .00000 -3.1272 3 825.3903 90 41509130322 9 3 21 9 3 CH3CN, v8=1
13.522812 .00000 -2.9053 3 741.0007 90 41509130322 6 2 21 6 2 CH3CN, v8=1
13.523218 .00000 -2.3763 3 502.7535 90 41509130322-1 3 21 1 3 CH3CN, v8=1
13.524176 .00000 -2.9529 3 750.4677 90 41509130322 8 3 21 8 3 CH3CN, v8=1
13.526162 .00000 -2.7618 3 677.2901 90 41509130322 5 2 21-5 2 CH3CN, v8=1
13.526162 .00000 -2.7618 3 677.2901 90 41509130322-5 2 21 5 2 CH3CN, v8=1
13.527578 .00000 -2.8019 3 685.4102 90 41509130322 7 3 21-7 3 CH3CN, v8=1
13.527578 .00000 -2.8019 3 685.4102 90 41509130322-7 3 21 7 3 CH3CN, v8=1
13.528970 .00000 -2.6411 3 623.4609 90 41509130322 4 2 21 4 2 CH3CN, v8=1
13.530487 .00000 -2.6741 3 630.2324 90 41509130322 6 3 21 6 3 CH3CN, v8=1
13.531214 .00000 -2.5430 3 579.5251 90 41509130322 3 2 21 3 2 CH3CN, v8=1
13.532849 .00000 -2.4675 3 545.4924 90 41509130322 2 2 21-2 2 CH3CN, v8=1
13.532849 .00000 -2.4675 3 545.4924 90 41509130322-2 2 21 2 2 CH3CN, v8=1
13.532924 .00000 -2.5691 3 584.9468 90 41509130322 5 3 21 5 3 CH3CN, v8=1
13.533236 .00000 -2.3841 3 507.1600 90 41509130322 0 2 21 0 2 CH3CN, v8=1
13.533738 .00000 -2.4144 3 521.3700 90 41509130322 1 2 21 1 2 CH3CN, v8=1
13.534932 .00000 -2.4868 3 549.5640 90 41509130322 4 3 21-4 3 CH3CN, v8=1
13.534932 .00000 -2.4868 3 549.5640 90 41509130322-4 3 21 4 3 CH3CN, v8=1
13.536646 .00000 -2.4272 3 524.0926 90 41509130322 3 3 21 3 3 CH3CN, v8=1
13.538710 .00000 -2.3901 3 508.5419 90 41509130322 2 3 21 2 3 CH3CN, v8=1
13.549249 .00000 -2.3752 3 503.0274 90 41509130322 1 3 21-1 3 CH3CN, v8=1
13.681406 .00000 -6.4663 3 481.9370 82 41509130320 2 3 19 0 2 CH3CN, v8=1
13.739893 -.00001 -7.4313 3 657.2165118 41509130329-2 2 28 4 3 CH3CN, v8=1
13.739893 -.00001 -7.4313 3 657.2165118 41509130329 2 2 28-4 3 CH3CN, v8=1
13.790834 -.00001 -7.1393 3 473.3817 74 41509130318 3 3 17 1 2 CH3CN, v8=1
13.863921 -.00001 -7.0183 3 597.9242110 41509130327 1 2 26 3 3 CH3CN, v8=1
13.908704 -.00001 -7.5699 3 477.2041 66 41509130316-4 3 15 2 2 CH3CN, v8=1
13.908704 -.00001 -7.5699 3 477.2041 66 41509130316 4 3 15-2 2 CH3CN, v8=1
13.975332 .00000 -6.4189 3 551.0033102 41509130325 0 2 24 2 3 CH3CN, v8=1
14.031727 .00000 -7.4586 3 2672.2565 94 4150913032320 2 22b0 2 CH3CN, v8=1
14.031727 .00000 -7.4586 3 2672.2565 94 41509130323b0 2 2220 2 CH3CN, v8=1
14.042602 .00000 -6.9258 3 2472.6388 94 4150913032319 2 2219 2 CH3CN, v8=1
14.044488 .00000 -7.2618 3 2499.2351 94 4150913032321 3 2221 3 CH3CN, v8=1
14.052976 .00000 -6.4420 3 2282.5233 94 4150913032318 2 2218 2 CH3CN, v8=1
14.054818 .00000 -6.6958 3 2307.8220 94 4150913032320 3 2220 3 CH3CN, v8=1
14.062846 .00000 -5.9968 3 2101.9497 94 4150913032317 2 22a7 2 CH3CN, v8=1
14.062846 .00000 -5.9968 3 2101.9497 94 41509130323a7 2 2217 2 CH3CN, v8=1
14.064640 .00000 -6.2016 3 2125.9432 94 4150913032319 3 22a9 3 CH3CN, v8=1
14.064640 .00000 -6.2016 3 2125.9432 94 41509130323a9 3 2219 3 CH3CN, v8=1
14.072216 .00000 -5.5842 3 1930.9586 94 4150913032316 2 2216 2 CH3CN, v8=1
14.073951 .00000 -5.7557 3 1953.6360 94 4150913032318 3 2218 3 CH3CN, v8=1
14.081121 .00000 -5.2008 3 1769.5978 94 4150913032315 2 2215 2 CH3CN, v8=1
14.082749 .00000 -5.3478 3 1790.9360 94 4150913032317 3 2217 3 CH3CN, v8=1
14.090539 .00000 -4.8450 3 1618.0234 94 4150913032314 2 22a4 2 CH3CN, v8=1
14.090539 .00000 -4.8450 3 1618.0234 94 41509130323a4 2 2214 2 CH3CN, v8=1
14.091030 .00000 -4.9726 3 1637.8773 94 4150913032316 3 22a6 3 CH3CN, v8=1
14.091030 .00000 -4.9726 3 1637.8773 94 41509130323a6 3 2216 3 CH3CN, v8=1
14.098082 .00000 -4.5139 3 1475.5166 94 4150913032313 2 2213 2 CH3CN, v8=1
14.098796 .00000 -4.6267 3 1494.4922 94 4150913032315 3 2215 3 CH3CN, v8=1
14.104595 .00000 -4.2089 3 1343.2783 94 4150913032312 2 2212 2 CH3CN, v8=1
14.106029 .00000 -4.3083 3 1360.8113 94 4150913032314 3 2214 3 CH3CN, v8=1
14.111264 .00000 -3.9279 3 1220.6835 94 4150913032311 2 22a1 2 CH3CN, v8=1
14.111264 .00000 -3.9279 3 1220.6835 94 41509130323a1 2 2211 2 CH3CN, v8=1
14.112744 .00000 -4.0159 3 1236.8634 94 4150913032313 3 22a3 3 CH3CN, v8=1
14.112744 .00000 -4.0159 3 1236.8634 94 41509130323a3 3 2213 3 CH3CN, v8=1
14.117457 .00000 -3.6707 3 1107.8373 94 4150913032310 2 2210 2 CH3CN, v8=1
14.118933 .00000 -3.7485 3 1122.6754 94 4150913032312 3 2212 3 CH3CN, v8=1
14.123129 .00000 -3.4368 3 1004.7744 94 41509130323 9 2 22 9 2 CH3CN, v8=1
14.124595 .00000 -3.5056 3 1018.2723 94 4150913032311 3 2211 3 CH3CN, v8=1
14.128268 .00000 -3.2261 3 911.5205 94 41509130323 8 2 22-8 2 CH3CN, v8=1
14.128268 .00000 -3.2261 3 911.5205 94 41509130323-8 2 22 8 2 CH3CN, v8=1
14.129729 .00000 -3.2864 3 923.6770 94 4150913032310 3 22a0 3 CH3CN, v8=1
14.129729 .00000 -3.2864 3 923.6770 94 41509130323a0 3 2210 3 CH3CN, v8=1
14.132866 .00000 -3.0383 3 828.0971 94 41509130323 7 2 22 7 2 CH3CN, v8=1
14.134336 .00000 -3.0907 3 838.9106 94 41509130323 9 3 22 9 3 CH3CN, v8=1
14.136916 .00000 -2.8732 3 754.5235 94 41509130323 6 2 22 6 2 CH3CN, v8=1
14.137375 .00000 -2.3472 3 516.2768 94 41509130323 1 3 22-1 3 CH3CN, v8=1
14.138417 .00000 -2.9183 3 763.9919 94 41509130323 8 3 22 8 3 CH3CN, v8=1
14.140410 .00000 -2.7308 3 690.8163 94 41509130323 5 2 22-5 2 CH3CN, v8=1
14.140410 .00000 -2.7308 3 690.8163 94 41509130323-5 2 22 5 2 CH3CN, v8=1
14.141977 .00000 -2.7688 3 698.9378 94 41509130323 7 3 22-7 3 CH3CN, v8=1
14.141977 .00000 -2.7688 3 698.9378 94 41509130323-7 3 22 7 3 CH3CN, v8=1
14.143335 .00000 -2.6108 3 636.9898 94 41509130323 4 2 22 4 2 CH3CN, v8=1
14.145026 .00000 -2.6420 3 643.7628 94 41509130323 6 3 22 6 3 CH3CN, v8=1
14.145666 .00000 -2.5132 3 593.0563 94 41509130323 3 2 22 3 2 CH3CN, v8=1
14.147353 .00000 -2.4381 3 559.0253 94 41509130323-2 2 22 2 2 CH3CN, v8=1
14.147353 .00000 -2.4381 3 559.0253 94 41509130323 2 2 22-2 2 CH3CN, v8=1
14.147586 .00000 -2.5379 3 598.4797 94 41509130323 5 3 22 5 3 CH3CN, v8=1
14.147597 .00000 -2.3550 3 520.6932 94 41509130323 0 2 22 0 2 CH3CN, v8=1
14.148239 .00000 -2.3853 3 534.9038 94 41509130323 1 2 22 1 2 CH3CN, v8=1
14.149706 .00000 -2.4564 3 563.0989 94 41509130323 4 3 22-4 3 CH3CN, v8=1
14.149706 .00000 -2.4564 3 563.0989 94 41509130323-4 3 22 4 3 CH3CN, v8=1
14.151540 .00000 -2.3974 3 537.6293 94 41509130323 3 3 22 3 3 CH3CN, v8=1
14.153814 .00000 -2.3608 3 522.0807 94 41509130323 2 3 22 2 3 CH3CN, v8=1
14.164581 .00000 -2.3461 3 516.5766 94 41509130323-1 3 22 1 3 CH3CN, v8=1
14.300746 .00000 -6.3981 3 494.2412 86 41509130321 2 3 20 0 2 CH3CN, v8=1
14.349259 -.00001 -7.3860 3 675.0535122 41509130330 2 2 29-4 3 CH3CN, v8=1
14.349259 -.00001 -7.3860 3 675.0535122 41509130330-2 2 29 4 3 CH3CN, v8=1
14.407570 -.00001 -7.0511 3 484.4567 78 41509130319 3 3 18 1 2 CH3CN, v8=1
14.472726 -.00001 -6.9715 3 614.5348114 41509130328 1 2 27 3 3 CH3CN, v8=1
14.524677 -.00001 -7.4812 3 487.0484 70 41509130317 4 3 16-2 2 CH3CN, v8=1
14.524677 -.00001 -7.4812 3 487.0484 70 41509130317-4 3 16 2 2 CH3CN, v8=1
14.581500 .00000 -6.3728 3 566.3872106 41509130326 0 2 25 2 3 CH3CN, v8=1
14.641268 .00000 -7.3370 3 2686.2883 98 4150913032420 2 23b0 2 CH3CN, v8=1
14.641268 .00000 -7.3370 3 2686.2883 98 41509130324b0 2 2320 2 CH3CN, v8=1
14.652609 .00000 -6.8300 3 2486.6814 98 4150913032419 2 2319 2 CH3CN, v8=1
14.654603 .00000 -7.0874 3 2513.2796 98 4150913032421 3 2321 3 CH3CN, v8=1
14.663428 .00000 -6.3638 3 2296.5763 98 4150913032418 2 2318 2 CH3CN, v8=1
14.665377 .00000 -6.5723 3 2321.8768 98 4150913032420 3 2320 3 CH3CN, v8=1
14.673721 .00000 -5.9306 3 2116.0126 98 4150913032417 2 23a7 2 CH3CN, v8=1
14.673721 .00000 -5.9306 3 2116.0126 98 41509130324a7 2 2317 2 CH3CN, v8=1
14.675621 .00000 -6.1059 3 2140.0079 98 4150913032419 3 23a9 3 CH3CN, v8=1
14.675621 .00000 -6.1059 3 2140.0079 98 41509130324a9 3 2319 3 CH3CN, v8=1
14.683496 -.00001 -5.5267 3 1945.0308 98 -4150913032416 2 2316 2 CH3CN, v8=1
14.685334 .00000 -5.6776 3 1967.7099 98 4150913032418 3 2318 3 CH3CN, v8=1
14.692775 .00000 -5.1499 3 1783.6789 98 -4150913032415 2 2315 2 CH3CN, v8=1
14.694515 .00000 -5.2819 3 1805.0187 98 -4150913032417 3 2317 3 CH3CN, v8=1
14.702613 .00000 -4.7992 3 1632.1139 98 -4150913032414 2 23a4 2 CH3CN, v8=1
14.702613 .00000 -4.7992 3 1632.1139 98 -41509130324a4 2 2314 2 CH3CN, v8=1
14.703148 .00000 -4.9151 3 1651.9683 98 -4150913032416 3 23a6 3 CH3CN, v8=1
14.703148 .00000 -4.9151 3 1651.9683 98 -41509130324a6 3 2316 3 CH3CN, v8=1
14.710461 .00000 -4.4725 3 1489.6147 98 -4150913032413 2 2313 2 CH3CN, v8=1
14.711249 .00000 -4.5759 3 1508.5910 98 4150913032415 3 2315 3 CH3CN, v8=1
14.717255 .00000 -4.1704 3 1357.3829 98 -4150913032412 2 2312 2 CH3CN, v8=1
14.718794 .00000 -4.2625 3 1374.9173 98 4150913032414 3 2314 3 CH3CN, v8=1
14.724209 .00000 -3.8921 3 1234.7947 98 -4150913032411 2 23a1 2 CH3CN, v8=1
14.724209 .00000 -3.8921 3 1234.7947 98 -41509130324a1 2 2311 2 CH3CN, v8=1
14.725800 .00000 -3.9741 3 1250.9761 98 -4150913032413 3 23a3 3 CH3CN, v8=1
14.725800 .00000 -3.9741 3 1250.9761 98 -41509130324a3 3 2313 3 CH3CN, v8=1
14.730666 .00000 -3.6371 3 1121.9547 98 -4150913032410 2 2310 2 CH3CN, v8=1
14.732257 .00000 -3.7101 3 1136.7943 98 -4150913032412 3 2312 3 CH3CN, v8=1
14.736580 .00000 -3.4051 3 1018.8975 98 -41509130324 9 2 23 9 2 CH3CN, v8=1
14.738165 .00000 -3.4697 3 1032.3969 98 -4150913032411 3 2311 3 CH3CN, v8=1
14.741936 .00000 -3.1959 3 925.6487 98 -41509130324 8 2 23-8 2 CH3CN, v8=1
14.741936 .00000 -3.1959 3 925.6487 98 -41509130324-8 2 23 8 2 CH3CN, v8=1
14.743522 .00000 -3.2528 3 937.8067 98 -4150913032410 3 23a0 3 CH3CN, v8=1
14.743522 .00000 -3.2528 3 937.8067 98 -41509130324a0 3 2310 3 CH3CN, v8=1
14.746726 .00000 -3.0093 3 842.2300 98 -41509130324 7 2 23 7 2 CH3CN, v8=1
14.748329 .00000 -3.0589 3 853.0449 98 -41509130324 9 3 23 9 3 CH3CN, v8=1
14.750944 .00000 -2.8453 3 768.6604 98 -41509130324 6 2 23 6 2 CH3CN, v8=1
14.751461 .00000 -2.3218 3 530.4141 98 -41509130324-1 3 23 1 3 CH3CN, v8=1
14.752591 .00000 -2.8881 3 778.1303 98 -41509130324 8 3 23 8 3 CH3CN, v8=1
14.754581 .00000 -2.7037 3 704.9567 98 -41509130324 5 2 23-5 2 CH3CN, v8=1
14.754581 .00000 -2.7037 3 704.9567 98 -41509130324-5 2 23 5 2 CH3CN, v8=1
14.756312 .00000 -2.7398 3 713.0797 98 -41509130324 7 3 23-7 3 CH3CN, v8=1
14.756312 .00000 -2.7398 3 713.0797 98 -41509130324-7 3 23 7 3 CH3CN, v8=1
14.757622 .00000 -2.5844 3 651.1332 98 -41509130324 4 2 23 4 2 CH3CN, v8=1
14.759502 .00000 -2.6141 3 657.9079 98 -41509130324 6 3 23 6 3 CH3CN, v8=1
14.760040 .00000 -2.4873 3 607.2019 98 -41509130324 3 2 23 3 2 CH3CN, v8=1
14.761773 .00000 -2.4125 3 573.1726 98 -41509130324 2 2 23-2 2 CH3CN, v8=1
14.761773 .00000 -2.4125 3 573.1726 98 -41509130324-2 2 23 2 2 CH3CN, v8=1
14.761857 .00000 -2.3297 3 534.8408 98 -41509130324 0 2 23 0 2 CH3CN, v8=1
14.762185 .00000 -2.5109 3 612.6273 98 -41509130324 5 3 23 5 3 CH3CN, v8=1
14.762652 .00000 -2.3600 3 549.0520 98 -41509130324 1 2 23 1 2 CH3CN, v8=1
14.764420 .00000 -2.4300 3 577.2486 98 -41509130324 4 3 23-4 3 CH3CN, v8=1
14.764420 .00000 -2.4300 3 577.2486 98 -41509130324-4 3 23 4 3 CH3CN, v8=1
14.766379 .00000 -2.3714 3 551.7808 98 -41509130324 3 3 23 3 3 CH3CN, v8=1
14.768876 .00000 -2.3352 3 536.2345 98 -41509130324 2 3 23 2 3 CH3CN, v8=1
14.779840 .00000 -2.3208 3 530.7412 98 -41509130324 1 3 23-1 3 CH3CN, v8=1
14.920678 .00000 -6.3364 3 507.1600 90 41509130322 2 3 21 0 2 CH3CN, v8=1
14.958071 -.00001 -7.3454 3 693.5048126 41509130331-2 2 30 4 3 CH3CN, v8=1
14.958071 -.00001 -7.3454 3 693.5048126 41509130331 2 2 30-4 3 CH3CN, v8=1
15.024532 -.00001 -6.9616 3 496.1464 82 41509130320 3 3 19 1 2 CH3CN, v8=1
15.080855 -.00001 -6.9335 3 631.7599118 41509130329 1 2 28 3 3 CH3CN, v8=1
15.140757 -.00001 -7.3994 3 497.5076 74 41509130318-4 3 17 2 2 CH3CN, v8=1
15.140757 -.00001 -7.3994 3 497.5076 74 41509130318 4 3 17-2 2 CH3CN, v8=1
15.186639 .00000 -6.3328 3 582.3861110 41509130327 0 2 26 2 3 CH3CN, v8=1
15.250742 .00000 -7.2394 3 2700.9295102 4150913032520 2 24b0 2 CH3CN, v8=1
15.250742 .00000 -7.2394 3 2700.9295102 41509130325b0 2 2420 2 CH3CN, v8=1
15.252887 .00000 -7.5004 3 2728.8209102 4150913032522 3 24b2 3 CH3CN, v8=1
15.252887 .00000 -7.5004 3 2728.8209102 41509130325b2 3 2422 3 CH3CN, v8=1
15.262548 .00000 -6.7536 3 2501.3340102 4150913032519 2 2419 2 CH3CN, v8=1
15.264652 .00000 -6.9657 3 2527.9342102 4150913032521 3 2421 3 CH3CN, v8=1
15.273810 .00000 -6.3001 3 2311.2397102 4150913032518 2 2418 2 CH3CN, v8=1
15.275869 .00000 -6.4791 3 2336.5422102 4150913032520 3 2420 3 CH3CN, v8=1
15.284525 .00000 -5.8757 3 2130.6863102 4150913032517 2 24a7 2 CH3CN, v8=1
15.284525 .00000 -5.8757 3 2130.6863102 41509130325a7 2 2417 2 CH3CN, v8=1
15.286536 .00000 -6.0303 3 2154.6835102 4150913032519 3 24a9 3 CH3CN, v8=1
15.286536 .00000 -6.0303 3 2154.6835102 41509130325a9 3 2419 3 CH3CN, v8=1
15.294696 .00000 -5.4783 3 1959.7143102 4150913032516 2 2416 2 CH3CN, v8=1
15.296648 .00000 -5.6139 3 1982.3953102 4150913032518 3 2418 3 CH3CN, v8=1
15.304365 .00000 -5.1067 3 1798.3717102 -4150913032515 2 2415 2 CH3CN, v8=1
15.306203 .00000 -5.2268 3 1819.7133102 4150913032517 3 2417 3 CH3CN, v8=1
15.314617 .00000 -4.7601 3 1646.8165102 -4150913032514 2 24a4 2 CH3CN, v8=1
15.314617 .00000 -4.7601 3 1646.8165102 -41509130325a4 2 2414 2 CH3CN, v8=1
15.315197 .00000 -4.8668 3 1666.6714102 -4150913032516 3 24a6 3 CH3CN, v8=1
15.315197 .00000 -4.8668 3 1666.6714102 -41509130325a6 3 2416 3 CH3CN, v8=1
15.322764 .00000 -4.4364 3 1504.3251102 4150913032513 2 2413 2 CH3CN, v8=1
15.323634 .00000 -4.5327 3 1523.3022102 4150913032515 3 2415 3 CH3CN, v8=1
15.329842 .00000 -4.1373 3 1372.1002102 -4150913032512 2 2412 2 CH3CN, v8=1
15.331489 .00000 -4.2235 3 1389.6361102 4150913032514 3 2414 3 CH3CN, v8=1
15.337078 .00000 -3.8613 3 1249.5189102 -4150913032511 2 24a1 2 CH3CN, v8=1
15.337078 .00000 -3.8613 3 1249.5189102 -41509130325a1 2 2411 2 CH3CN, v8=1
15.338784 .00000 -3.9384 3 1265.7019102 -4150913032513 3 24a3 3 CH3CN, v8=1
15.338784 .00000 -3.9384 3 1265.7019102 -41509130325a3 3 2413 3 CH3CN, v8=1
15.343799 .00000 -3.6082 3 1136.6854102 -4150913032510 2 2410 2 CH3CN, v8=1
15.345508 .00000 -3.6770 3 1151.5266102 -4150913032512 3 2412 3 CH3CN, v8=1
15.349951 .00000 -3.3778 3 1033.6341102 -41509130325 9 2 24 9 2 CH3CN, v8=1
15.351663 .00000 -3.4390 3 1047.1350102 -4150913032511 3 2411 3 CH3CN, v8=1
15.355523 .00000 -3.1699 3 940.3907102 -41509130325 8 2 24-8 2 CH3CN, v8=1
15.355523 .00000 -3.1699 3 940.3907102 -41509130325-8 2 24 8 2 CH3CN, v8=1
15.357244 .00000 -3.2239 3 952.5503102 -4150913032510 3 24a0 3 CH3CN, v8=1
15.357244 .00000 -3.2239 3 952.5503102 -41509130325a0 3 2410 3 CH3CN, v8=1
15.360507 .00000 -2.9844 3 856.9767102 -41509130325 7 2 24 7 2 CH3CN, v8=1
15.362253 .00000 -3.0317 3 867.7933102 -41509130325 9 3 24 9 3 CH3CN, v8=1
15.364894 .00000 -2.8213 3 783.4114102 -41509130325 6 2 24 6 2 CH3CN, v8=1
15.365472 .00000 -2.2999 3 545.1656102 -41509130325 1 3 24-1 3 CH3CN, v8=1
15.366695 .00000 -2.8620 3 792.8829102 -41509130325 8 3 24 8 3 CH3CN, v8=1
15.368672 .00000 -2.6803 3 719.7113102 -41509130325 5 2 24-5 2 CH3CN, v8=1
15.368672 .00000 -2.6803 3 719.7113102 -41509130325-5 2 24 5 2 CH3CN, v8=1
15.370577 .00000 -2.7149 3 727.8361102 -41509130325 7 3 24-7 3 CH3CN, v8=1
15.370577 .00000 -2.7149 3 727.8361102 -41509130325-7 3 24 7 3 CH3CN, v8=1
15.371826 .00000 -2.5616 3 665.8908102 -41509130325 4 2 24 4 2 CH3CN, v8=1
15.373908 .00000 -2.5901 3 672.6674102 -41509130325 6 3 24 6 3 CH3CN, v8=1
15.374328 .00000 -2.4650 3 621.9620102 -41509130325 3 2 24 3 2 CH3CN, v8=1
15.376012 .00000 -2.3080 3 549.6027102 -41509130325 0 2 24 0 2 CH3CN, v8=1
15.376108 .00000 -2.3905 3 587.9344102 -41509130325-2 2 24 2 2 CH3CN, v8=1
15.376108 .00000 -2.3905 3 587.9344102 -41509130325 2 2 24-2 2 CH3CN, v8=1
15.376718 .00000 -2.4876 3 627.3895102 -41509130325 5 3 24 5 3 CH3CN, v8=1
15.376972 .00000 -2.3381 3 563.8147102 -41509130325 1 2 24 1 2 CH3CN, v8=1
15.379071 .00000 -2.4073 3 592.0130102 -41509130325 4 3 24-4 3 CH3CN, v8=1
15.379071 .00000 -2.4073 3 592.0130102 -41509130325-4 3 24 4 3 CH3CN, v8=1
15.381159 .00000 -2.3492 3 566.5472102 -41509130325 3 3 24 3 3 CH3CN, v8=1
15.383891 .00000 -2.3132 3 551.0033102 -41509130325 2 3 24 2 3 CH3CN, v8=1
15.395023 .00000 -2.2990 3 545.5210102 -41509130325-1 3 24 1 3 CH3CN, v8=1
15.541257 .00000 -6.2809 3 520.6932 94 41509130323 2 3 22 0 2 CH3CN, v8=1
15.566296 -.00001 -7.3095 3 712.5703130 41509130332 2 2 31-4 3 CH3CN, v8=1
15.566296 -.00001 -7.3095 3 712.5703130 41509130332-2 2 31 4 3 CH3CN, v8=1
15.641745 -.00001 -6.9274 3 508.4509 86 41509130321 3 3 20 1 2 CH3CN, v8=1
15.688265 -.00001 -6.8895 3 649.5996122 41509130330 1 2 29 3 3 CH3CN, v8=1
15.756960 -.00001 -7.3239 3 508.5817 78 41509130319 4 3 18-2 2 CH3CN, v8=1
15.756960 -.00001 -7.3239 3 508.5817 78 41509130319-4 3 18 2 2 CH3CN, v8=1
15.790688 .00000 -6.2985 3 598.9999114 41509130328 0 2 27 2 3 CH3CN, v8=1
15.860144 .00000 -7.1661 3 2716.1803106 4150913032620 2 25b0 2 CH3CN, v8=1
15.860144 .00000 -7.1661 3 2716.1803106 41509130326b0 2 2520 2 CH3CN, v8=1
15.862403 .00000 -7.3817 3 2744.0738106 4150913032622 3 25b2 3 CH3CN, v8=1
15.862403 .00000 -7.3817 3 2744.0738106 41509130326b2 3 2522 3 CH3CN, v8=1
15.872415 .00000 -6.6924 3 2516.5966106 4150913032619 2 2519 2 CH3CN, v8=1
15.874632 .00000 -6.8749 3 2543.1989106 4150913032621 3 2521 3 CH3CN, v8=1
15.884119 .00000 -6.2476 3 2326.5135106 4150913032618 2 2518 2 CH3CN, v8=1
15.886292 .00000 -6.4058 3 2351.8181106 4150913032620 3 2520 3 CH3CN, v8=1
15.895255 .00000 -5.8298 3 2145.9708106 4150913032617 2 25a7 2 CH3CN, v8=1
15.895255 .00000 -5.8298 3 2145.9708106 41509130326a7 2 2517 2 CH3CN, v8=1
15.897380 .00000 -5.9695 3 2169.9700106 4150913032619 3 25a9 3 CH3CN, v8=1
15.897380 .00000 -5.9695 3 2169.9700106 41509130326a9 3 2519 3 CH3CN, v8=1
15.905826 .00000 -5.4376 3 1975.0090106 4150913032616 2 2516 2 CH3CN, v8=1
15.907892 .00000 -5.5614 3 1997.6919106 4150913032618 3 2518 3 CH3CN, v8=1
15.915874 .00000 -5.0701 3 1813.6761106 4150913032615 2 2515 2 CH3CN, v8=1
15.917820 .00000 -5.1809 3 1835.0195106 -4150913032617 3 2517 3 CH3CN, v8=1
15.926546 .00000 -4.7269 3 1662.1311106 4150913032614 2 25a4 2 CH3CN, v8=1
15.926546 .00000 -4.7269 3 1662.1311106 41509130326a4 2 2514 2 CH3CN, v8=1
15.927180 -.00001 -4.8261 3 1681.9866106 -4150913032616 3 25a6 3 CH3CN, v8=1
15.927180 -.00001 -4.8261 3 1681.9866106 -41509130326a6 3 2516 3 CH3CN, v8=1
15.934987 -.00001 -4.4058 3 1519.6479106 -4150913032613 2 2513 2 CH3CN, v8=1
15.935947 .00000 -4.4961 3 1538.6258106 4150913032615 3 2515 3 CH3CN, v8=1
15.942349 .00000 -4.1091 3 1387.4300106 -4150913032612 2 2512 2 CH3CN, v8=1
15.944112 .00000 -4.1902 3 1404.9676106 4150913032614 3 2514 3 CH3CN, v8=1
15.949866 .00000 -3.8350 3 1264.8560106 -4150913032611 2 25a1 2 CH3CN, v8=1
15.949866 .00000 -3.8350 3 1264.8560106 -41509130326a1 2 2511 2 CH3CN, v8=1
15.951695 .00000 -3.9080 3 1281.0407106 -4150913032613 3 25a3 3 CH3CN, v8=1
15.951695 .00000 -3.9080 3 1281.0407106 -41509130326a3 3 2513 3 CH3CN, v8=1
15.956851 .00000 -3.5835 3 1152.0292106 -4150913032610 2 2510 2 CH3CN, v8=1
15.958690 .00000 -3.6489 3 1166.8721106 -4150913032612 3 2512 3 CH3CN, v8=1
15.963243 .00000 -3.3545 3 1048.9841106 -41509130326 9 2 25 9 2 CH3CN, v8=1
15.965089 .00000 -3.4127 3 1062.4867106 -4150913032611 3 2511 3 CH3CN, v8=1
15.969031 .00000 -3.1477 3 955.7462106 -41509130326 8 2 25-8 2 CH3CN, v8=1
15.969031 .00000 -3.1477 3 955.7462106 -41509130326-8 2 25 8 2 CH3CN, v8=1
15.970893 .00000 -3.1993 3 967.9075106 -4150913032610 3 25a0 3 CH3CN, v8=1
15.970893 .00000 -3.1993 3 967.9075106 -41509130326a0 3 2510 3 CH3CN, v8=1
15.974206 .00000 -2.9632 3 872.3372106 -41509130326 7 2 25 7 2 CH3CN, v8=1
15.976107 .00000 -3.0084 3 883.1555106 -41509130326 9 3 25 9 3 CH3CN, v8=1
15.978759 .00000 -2.8009 3 798.7763106 -41509130326 6 2 25 6 2 CH3CN, v8=1
15.979405 .00000 -2.2814 3 560.5311106 -41509130326-1 3 25 1 3 CH3CN, v8=1
15.980730 .00000 -2.8399 3 808.2496106 -41509130326 8 3 25 8 3 CH3CN, v8=1
15.982679 .00000 -2.6605 3 735.0799106 -41509130326 5 2 25-5 2 CH3CN, v8=1
15.982679 .00000 -2.6605 3 735.0799106 -41509130326-5 2 25 5 2 CH3CN, v8=1
15.984770 .00000 -2.6936 3 743.2066106 -41509130326 7 3 25-7 3 CH3CN, v8=1
15.984770 .00000 -2.6936 3 743.2066106 -41509130326-7 3 25 7 3 CH3CN, v8=1
15.985947 .00000 -2.5423 3 681.2626106 -41509130326 4 2 25 4 2 CH3CN, v8=1
15.988244 .00000 -2.5697 3 688.0413106 -41509130326 6 3 25 6 3 CH3CN, v8=1
15.988529 .00000 -2.4461 3 637.3363106 -41509130326 3 2 25 3 2 CH3CN, v8=1
15.990060 .00000 -2.2896 3 564.9787106 -41509130326 0 2 25 0 2 CH3CN, v8=1
15.990351 .00000 -2.3719 3 603.3105106 -41509130326 2 2 25-2 2 CH3CN, v8=1
15.990351 .00000 -2.3719 3 603.3105106 -41509130326-2 2 25 2 2 CH3CN, v8=1
15.991191 .00000 -2.4678 3 642.7662106 -41509130326 5 3 25 5 3 CH3CN, v8=1
15.991191 .00000 -2.3197 3 579.1916106 -41509130326 1 2 25 1 2 CH3CN, v8=1
15.993655 .00000 -2.3880 3 607.3921106 -41509130326 4 3 25-4 3 CH3CN, v8=1
15.993655 .00000 -2.3880 3 607.3921106 -41509130326-4 3 25 4 3 CH3CN, v8=1
15.995880 .00000 -2.3302 3 581.9284106 -41509130326 3 3 25 3 3 CH3CN, v8=1
15.998858 .00000 -2.2945 3 566.3872106 -41509130326 2 3 25 2 3 CH3CN, v8=1
16.010127 .00000 -2.2806 3 560.9161106 -41509130326 1 3 25-1 3 CH3CN, v8=1
16.162536 .00000 -6.2313 3 534.8408 98 41509130324 2 3 23 0 2 CH3CN, v8=1
16.173903 -.00001 -7.2778 3 732.2499134 41509130333-2 2 32 4 3 CH3CN, v8=1
16.173904 -.00001 -7.2778 3 732.2499134 41509130333 2 2 32-4 3 CH3CN, v8=1
16.259239 -.00001 -6.8328 3 521.3700 90 41509130322 3 3 21 1 2 CH3CN, v8=1
16.294915 -.00001 -6.8549 3 668.0537126 41509130331 1 2 30 3 3 CH3CN, v8=1
16.373301 -.00001 -7.2544 3 520.2706 82 41509130320-4 3 19 2 2 CH3CN, v8=1
16.373301 -.00001 -7.2544 3 520.2706 82 41509130320 4 3 19-2 2 CH3CN, v8=1
16.393586 .00000 -6.2698 3 616.2285118 41509130329 0 2 28 2 3 CH3CN, v8=1
16.469473 .00000 -7.1071 3 2732.0404110 4150913032720 2 26b0 2 CH3CN, v8=1
16.469473 .00000 -7.1071 3 2732.0404110 41509130327b0 2 2620 2 CH3CN, v8=1
16.471848 .00000 -7.2931 3 2759.9362110 4150913032722 3 26b2 3 CH3CN, v8=1
16.471848 .00000 -7.2931 3 2759.9362110 41509130327b2 3 2622 3 CH3CN, v8=1
16.482207 .00000 -6.6422 3 2532.4690110 4150913032719 2 2619 2 CH3CN, v8=1
16.484541 .00000 -6.8039 3 2559.0735110 4150913032721 3 2621 3 CH3CN, v8=1
16.494353 .00000 -6.2040 3 2342.3976110 4150913032718 2 2618 2 CH3CN, v8=1
16.496643 .00000 -6.3469 3 2367.7043110 4150913032720 3 2620 3 CH3CN, v8=1
16.505909 .00000 -5.7914 3 2161.8661110 4150913032717 2 26a7 2 CH3CN, v8=1
16.505909 .00000 -5.7914 3 2161.8661110 41509130327a7 2 2617 2 CH3CN, v8=1
16.508152 .00000 -5.9189 3 2185.8674110 4150913032719 3 26a9 3 CH3CN, v8=1
16.508152 .00000 -5.9189 3 2185.8674110 41509130327a9 3 2619 3 CH3CN, v8=1
16.516879 .00000 -5.4034 3 1990.9149110 4150913032716 2 2616 2 CH3CN, v8=1
16.519063 .00000 -5.5179 3 2013.5998110 4150913032718 3 2618 3 CH3CN, v8=1
16.527306 .00000 -5.0393 3 1829.5920110 4150913032715 2 2615 2 CH3CN, v8=1
16.529373 .00000 -5.1427 3 1850.9373110 4150913032717 3 2617 3 CH3CN, v8=1
16.538397 .00000 -4.6988 3 1678.0577110 -4150913032714 2 26a4 2 CH3CN, v8=1
16.538397 .00000 -4.6988 3 1678.0577110 -41509130327a4 2 2614 2 CH3CN, v8=1
16.539083 -.00001 -4.7919 3 1697.9138110 -4150913032716 3 26a6 3 CH3CN, v8=1
16.539083 -.00001 -4.7919 3 1697.9138110 -41509130327a6 3 2616 3 CH3CN, v8=1
16.547133 .00000 -4.3802 3 1535.5829110 -4150913032713 2 2613 2 CH3CN, v8=1
16.548186 .00000 -4.4653 3 1554.5618110 4150913032715 3 2615 3 CH3CN, v8=1
16.554776 .00000 -4.0854 3 1403.3724110 -4150913032712 2 2612 2 CH3CN, v8=1
16.556660 .00000 -4.1622 3 1420.9117110 4150913032714 3 2614 3 CH3CN, v8=1
16.562578 .00000 -3.8129 3 1280.8059110 -4150913032711 2 26a1 2 CH3CN, v8=1
16.562578 .00000 -3.8129 3 1280.8059110 -41509130327a1 2 2611 2 CH3CN, v8=1
16.564537 .00000 -3.8822 3 1296.9924110 -4150913032713 3 26a3 3 CH3CN, v8=1
16.564537 .00000 -3.8822 3 1296.9924110 -41509130327a3 3 2613 3 CH3CN, v8=1
16.569822 .00000 -3.5628 3 1167.9860110 -4150913032710 2 2610 2 CH3CN, v8=1
16.571793 .00000 -3.6251 3 1182.8308110 -4150913032712 3 2612 3 CH3CN, v8=1
16.576452 .00000 -3.3349 3 1064.9473110 -41509130327 9 2 26 9 2 CH3CN, v8=1
16.578440 .00000 -3.3907 3 1078.4518110 -4150913032711 3 2611 3 CH3CN, v8=1
16.582457 .00000 -3.1292 3 971.7152110 -41509130327 8 2 26-8 2 CH3CN, v8=1
16.582457 .00000 -3.1292 3 971.7152110 -41509130327-8 2 26 8 2 CH3CN, v8=1
16.584467 .00000 -3.1786 3 983.8784110 -4150913032710 3 26a0 3 CH3CN, v8=1
16.584467 .00000 -3.1786 3 983.8784110 -41509130327a0 3 2610 3 CH3CN, v8=1
16.587822 .00000 -2.9455 3 888.3114110 -41509130327 7 2 26 7 2 CH3CN, v8=1
16.589882 .00000 -2.9889 3 899.1316110 -41509130327 9 3 26 9 3 CH3CN, v8=1
16.592539 .00000 -2.7839 3 814.7550110 -41509130327 6 2 26 6 2 CH3CN, v8=1
16.593259 .00000 -2.2662 3 576.5105110 -41509130327 1 3 26-1 3 CH3CN, v8=1
16.594688 .00000 -2.8214 3 824.2304110 -41509130327 8 3 26 8 3 CH3CN, v8=1
16.596598 .00000 -2.6441 3 751.0626110 -41509130327 5 2 26-5 2 CH3CN, v8=1
16.596598 .00000 -2.6441 3 751.0626110 -41509130327-5 2 26 5 2 CH3CN, v8=1
16.598892 .00000 -2.6759 3 759.1914110 -41509130327 7 3 26-7 3 CH3CN, v8=1
16.598892 .00000 -2.6759 3 759.1914110 -41509130327-7 3 26 7 3 CH3CN, v8=1
16.599977 .00000 -2.5264 3 697.2486110 -41509130327 4 2 26 4 2 CH3CN, v8=1
16.602508 .00000 -2.5527 3 704.0295110 -41509130327 6 3 26 6 3 CH3CN, v8=1
16.602640 .00000 -2.4305 3 653.3248110 -41509130327 3 2 26 3 2 CH3CN, v8=1
16.603998 .00000 -2.2744 3 580.9687110 -41509130327 0 2 26 0 2 CH3CN, v8=1
16.604501 .00000 -2.3565 3 619.3009110 -41509130327-2 2 26 2 2 CH3CN, v8=1
16.604501 .00000 -2.3565 3 619.3009110 -41509130327 2 2 26-2 2 CH3CN, v8=1
16.605321 .00000 -2.3045 3 595.1828110 -41509130327 1 2 26 1 2 CH3CN, v8=1
16.605575 .00000 -2.4514 3 658.7574110 -41509130327 5 3 26 5 3 CH3CN, v8=1
16.608171 .00000 -2.3721 3 623.3858110 -41509130327 4 3 26-4 3 CH3CN, v8=1
16.608171 .00000 -2.3721 3 623.3858110 -41509130327-4 3 26 4 3 CH3CN, v8=1
16.610537 .00000 -2.3146 3 597.9242110 -41509130327 3 3 26 3 3 CH3CN, v8=1
16.613774 .00000 -2.2792 3 582.3861110 -41509130327 2 3 26 2 3 CH3CN, v8=1
16.625150 .00000 -2.2654 3 576.9262110 -41509130327-1 3 26 1 3 CH3CN, v8=1
16.780860 -.00001 -7.2504 3 752.5436138 41509130334 2 2 33-4 3 CH3CN, v8=1
16.780860 -.00001 -7.2504 3 752.5436138 41509130334-2 2 33 4 3 CH3CN, v8=1
16.784571 .00000 -6.1873 3 549.6027102 41509130325 2 3 24 0 2 CH3CN, v8=1
16.877040 -.00001 -6.7772 3 534.9038 94 41509130323 3 3 22 1 2 CH3CN, v8=1
16.900762 -.00001 -6.8327 3 687.1221130 41509130332 1 2 31 3 3 CH3CN, v8=1
16.989796 -.00001 -7.1903 3 532.5742 86 41509130321 4 3 20-2 2 CH3CN, v8=1
16.989796 -.00001 -7.1903 3 532.5742 86 41509130321-4 3 20 2 2 CH3CN, v8=1
16.995276 .00000 -6.2465 3 634.0719122 41509130330 0 2 29 2 3 CH3CN, v8=1
17.078724 .00000 -7.0592 3 2748.5099114 4150913032820 2 27b0 2 CH3CN, v8=1
17.078724 .00000 -7.0592 3 2748.5099114 41509130328b0 2 2720 2 CH3CN, v8=1
17.081220 .00000 -7.2243 3 2776.4081114 4150913032822 3 27b2 3 CH3CN, v8=1
17.081220 .00000 -7.2243 3 2776.4081114 41509130328b2 3 2722 3 CH3CN, v8=1
17.091921 .00000 -6.6009 3 2548.9512114 4150913032819 2 2719 2 CH3CN, v8=1
17.094375 .00000 -6.7474 3 2575.5580114 4150913032821 3 2721 3 CH3CN, v8=1
17.104508 .00000 -6.1680 3 2358.8920114 4150913032818 2 2718 2 CH3CN, v8=1
17.106920 .00000 -6.2990 3 2384.2010114 4150913032820 3 2720 3 CH3CN, v8=1
17.116484 .00000 -5.7595 3 2178.3720114 4150913032817 2 27a7 2 CH3CN, v8=1
17.116484 .00000 -5.7595 3 2178.3720114 41509130328a7 2 2717 2 CH3CN, v8=1
17.118848 .00000 -5.8782 3 2202.3755114 4150913032819 3 27a9 3 CH3CN, v8=1
17.118848 .00000 -5.8782 3 2202.3755114 41509130328a9 3 2719 3 CH3CN, v8=1
17.127852 .00000 -5.3749 3 2007.4317114 4150913032816 2 2716 2 CH3CN, v8=1
17.130158 .00000 -5.4819 3 2030.1189114 4150913032818 3 2718 3 CH3CN, v8=1
17.138657 .00000 -5.0135 3 1846.1193114 4150913032815 2 2715 2 CH3CN, v8=1
17.140845 .00000 -5.1107 3 1867.4667114 4150913032817 3 2717 3 CH3CN, v8=1
17.150170 .00000 -4.6755 3 1694.5961114 -4150913032814 2 27a4 2 CH3CN, v8=1
17.150170 .00000 -4.6755 3 1694.5961114 -41509130328a4 2 2714 2 CH3CN, v8=1
17.150905 .00000 -4.7635 3 1714.4529114 4150913032816 3 27a6 3 CH3CN, v8=1
17.150905 .00000 -4.7635 3 1714.4529114 41509130328a6 3 2716 3 CH3CN, v8=1
17.159198 .00000 -4.3588 3 1552.1300114 -4150913032813 2 2713 2 CH3CN, v8=1
17.160348 .00000 -4.4397 3 1571.1100114 4150913032815 3 2715 3 CH3CN, v8=1
17.167120 .00000 -4.0657 3 1419.9272114 -4150913032812 2 2712 2 CH3CN, v8=1
17.169131 .00000 -4.1389 3 1437.4683114 4150913032814 3 2714 3 CH3CN, v8=1
17.175204 .00000 -3.7947 3 1297.3685114 -4150913032811 2 27a1 2 CH3CN, v8=1
17.175204 .00000 -3.7947 3 1297.3685114 -41509130328a1 2 2711 2 CH3CN, v8=1
17.177294 .00000 -3.8609 3 1313.5569114 -4150913032813 3 27a3 3 CH3CN, v8=1
17.177294 .00000 -3.8609 3 1313.5569114 -41509130328a3 3 2713 3 CH3CN, v8=1
17.182706 .00000 -3.5458 3 1184.5559114 -4150913032810 2 2710 2 CH3CN, v8=1
17.184823 .00000 -3.6055 3 1199.4026114 -4150913032812 3 2712 3 CH3CN, v8=1
17.189575 .00000 -3.3190 3 1081.5238114 -41509130328 9 2 27 9 2 CH3CN, v8=1
17.191712 .00000 -3.3725 3 1095.0302114 -4150913032811 3 2711 3 CH3CN, v8=1
17.195793 .00000 -3.1141 3 988.2977114 -41509130328 8 2 27-8 2 CH3CN, v8=1
17.195793 .00000 -3.1141 3 988.2977114 -41509130328-8 2 27 8 2 CH3CN, v8=1
17.197964 .00000 -3.1616 3 1000.4629114 -4150913032810 3 27a0 3 CH3CN, v8=1
17.197964 .00000 -3.1616 3 1000.4629114 -41509130328a0 3 2710 3 CH3CN, v8=1
17.201348 .00000 -2.9311 3 904.8993114 -41509130328 7 2 27 7 2 CH3CN, v8=1
17.203581 .00000 -2.9729 3 915.7215114 -41509130328 9 3 27 9 3 CH3CN, v8=1
17.206230 .00000 -2.7701 3 831.3476114 -41509130328 6 2 27 6 2 CH3CN, v8=1
17.207028 .00000 -2.2540 3 593.1037114 -41509130328-1 3 27 1 3 CH3CN, v8=1
17.208569 .00000 -2.8063 3 840.8250114 -41509130328 8 3 27 8 3 CH3CN, v8=1
17.210428 .00000 -2.6309 3 767.6592114 -41509130328 5 2 27-5 2 CH3CN, v8=1
17.210428 .00000 -2.6309 3 767.6592114 -41509130328-5 2 27 5 2 CH3CN, v8=1
17.212934 .00000 -2.6617 3 775.7903114 -41509130328 7 3 27-7 3 CH3CN, v8=1
17.212934 .00000 -2.6617 3 775.7903114 -41509130328-7 3 27 7 3 CH3CN, v8=1
17.213917 .00000 -2.5136 3 713.8485114 -41509130328 4 2 27 4 2 CH3CN, v8=1
17.216656 .00000 -2.4180 3 669.9275114 41509130328 3 2 27 3 2 CH3CN, v8=1
17.216696 .00000 -2.5390 3 720.6320114 41509130328 6 3 27 6 3 CH3CN, v8=1
17.217822 .00000 -2.2623 3 597.5727114 -41509130328 0 2 27 0 2 CH3CN, v8=1
17.218555 .00000 -2.3442 3 635.9054114 -41509130328 2 2 27-2 2 CH3CN, v8=1
17.218555 .00000 -2.3442 3 635.9054114 -41509130328-2 2 27 2 2 CH3CN, v8=1
17.219343 .00000 -2.2923 3 611.7882114 -41509130328 1 2 27 1 2 CH3CN, v8=1
17.219893 .00000 -2.4382 3 675.3630114 -41509130328 5 3 27 5 3 CH3CN, v8=1
17.222617 .00000 -2.3592 3 639.9939114 -41509130328 4 3 27-4 3 CH3CN, v8=1
17.222617 .00000 -2.3592 3 639.9939114 -41509130328-4 3 27 4 3 CH3CN, v8=1
17.225130 .00000 -2.3021 3 614.5348114 -41509130328 3 3 27 3 3 CH3CN, v8=1
17.228632 .00000 -2.2669 3 598.9999114 -41509130328 2 3 27 2 3 CH3CN, v8=1
17.240087 .00000 -2.2533 3 593.5513114 -41509130328 1 3 27-1 3 CH3CN, v8=1
17.387131 -.00001 -7.2270 3 773.4513142 41509130335-2 2 34 4 3 CH3CN, v8=1
17.387132 -.00001 -7.2270 3 773.4513142 41509130335 2 2 34-4 3 CH3CN, v8=1
17.407418 .00000 -6.1489 3 564.9787106 41509130326 2 3 25 0 2 CH3CN, v8=1
17.495179 -.00001 -6.7926 3 549.0520 98 41509130324 3 3 23 1 2 CH3CN, v8=1
17.505763 -.00001 -6.8009 3 706.8049134 41509130333 1 2 32 3 3 CH3CN, v8=1
17.595701 .00000 -6.2285 3 652.5301126 41509130331 0 2 30 2 3 CH3CN, v8=1
17.606463 -.00001 -7.1314 3 545.4924 90 41509130322-4 3 21 2 2 CH3CN, v8=1
17.606463 -.00001 -7.1314 3 545.4924 90 41509130322 4 3 21-2 2 CH3CN, v8=1
17.687897 .00000 -7.0200 3 2765.5886118 4150913032920 2 28b0 2 CH3CN, v8=1
17.687897 .00000 -7.0200 3 2765.5886118 41509130329b0 2 2820 2 CH3CN, v8=1
17.690516 .00000 -7.1698 3 2793.4893118 4150913032922 3 28b2 3 CH3CN, v8=1
17.690516 .00000 -7.1698 3 2793.4893118 41509130329b2 3 2822 3 CH3CN, v8=1
17.701554 .00000 -6.5670 3 2566.0431118 4150913032919 2 2819 2 CH3CN, v8=1
17.704133 .00000 -6.7015 3 2592.6524118 4150913032921 3 2821 3 CH3CN, v8=1
17.714582 .00000 -6.1383 3 2375.9965118 4150913032918 2 2818 2 CH3CN, v8=1
17.717118 .00000 -6.2599 3 2401.3079118 4150913032920 3 2820 3 CH3CN, v8=1
17.726976 .00000 -5.7332 3 2195.4885118 4150913032917 2 28a7 2 CH3CN, v8=1
17.726976 .00000 -5.7332 3 2195.4885118 41509130329a7 2 2817 2 CH3CN, v8=1
17.729460 -.00001 -5.8438 3 2219.4944118 -4150913032919 3 28a9 3 CH3CN, v8=1
17.729460 -.00001 -5.8438 3 2219.4944118 -41509130329a9 3 2819 3 CH3CN, v8=1
17.738742 -.00001 -5.3515 3 2024.5596118 -4150913032916 2 2816 2 CH3CN, v8=1
17.741174 .00000 -5.4523 3 2047.2490118 4150913032918 3 2818 3 CH3CN, v8=1
17.749922 .00000 -4.9926 3 1863.2579118 -4150913032915 2 2815 2 CH3CN, v8=1
17.752237 .00000 -5.0846 3 1884.6075118 -4150913032917 3 2817 3 CH3CN, v8=1
17.761862 .00000 -4.6565 3 1711.7463118 -4150913032914 2 28a4 2 CH3CN, v8=1
17.761862 .00000 -4.6565 3 1711.7463118 -41509130329a4 2 2814 2 CH3CN, v8=1
17.762651 .00000 -4.7401 3 1731.6038118 4150913032916 3 28a6 3 CH3CN, v8=1
17.762651 .00000 -4.7401 3 1731.6038118 41509130329a6 3 2816 3 CH3CN, v8=1
17.771176 .00000 -4.3415 3 1569.2892118 -4150913032913 2 2813 2 CH3CN, v8=1
17.772429 .00000 -4.4187 3 1588.2703118 4150913032915 3 2815 3 CH3CN, v8=1
17.779374 .00000 -4.0498 3 1437.0943118 -4150913032912 2 2812 2 CH3CN, v8=1
17.781520 .00000 -4.1199 3 1454.6375118 4150913032914 3 2814 3 CH3CN, v8=1
17.787740 .00000 -3.7801 3 1314.5437118 -4150913032911 2 28a1 2 CH3CN, v8=1
17.787740 .00000 -3.7801 3 1314.5437118 -41509130329a1 2 2811 2 CH3CN, v8=1
17.789972 .00000 -3.8436 3 1330.7342118 -4150913032913 3 28a3 3 CH3CN, v8=1
17.789972 .00000 -3.8436 3 1330.7342118 -41509130329a3 3 2813 3 CH3CN, v8=1
17.795503 .00000 -3.5323 3 1201.7386118 -4150913032910 2 2810 2 CH3CN, v8=1
17.797766 .00000 -3.5897 3 1216.5874118 -4150913032912 3 2812 3 CH3CN, v8=1
17.802610 .00000 -3.3064 3 1098.7133118 -41509130329 9 2 28 9 2 CH3CN, v8=1
17.804901 .00000 -3.3579 3 1112.2219118 -4150913032911 3 2811 3 CH3CN, v8=1
17.809038 .00000 -3.1023 3 1005.4935118 -41509130329 8 2 28-8 2 CH3CN, v8=1
17.809038 .00000 -3.1023 3 1005.4935118 -41509130329-8 2 28 8 2 CH3CN, v8=1
17.811379 .00000 -3.1481 3 1017.6608118 -4150913032910 3 28a0 3 CH3CN, v8=1
17.811379 .00000 -3.1481 3 1017.6608118 -41509130329a0 3 2810 3 CH3CN, v8=1
17.814782 .00000 -2.9200 3 922.1006118 -41509130329 7 2 28 7 2 CH3CN, v8=1
17.817199 .00000 -2.9603 3 932.9251118 -41509130329 9 3 28 9 3 CH3CN, v8=1
17.819828 .00000 -2.7595 3 848.5538118 -41509130329 6 2 28 6 2 CH3CN, v8=1
17.820709 .00000 -2.2447 3 610.3108118 -41509130329 1 3 28-1 3 CH3CN, v8=1
17.822367 .00000 -2.7945 3 858.0336118 -41509130329 8 3 28 8 3 CH3CN, v8=1
17.824163 .00000 -2.6207 3 784.8696118 -41509130329 5 2 28-5 2 CH3CN, v8=1
17.824163 .00000 -2.6207 3 784.8696118 -41509130329-5 2 28 5 2 CH3CN, v8=1
17.826896 .00000 -2.6505 3 793.0032118 -41509130329 7 3 28-7 3 CH3CN, v8=1
17.826896 .00000 -2.6505 3 793.0032118 -41509130329-7 3 28 7 3 CH3CN, v8=1
17.827760 .00000 -2.5038 3 731.0625118 -41509130329 4 2 28 4 2 CH3CN, v8=1
17.830575 .00000 -2.4085 3 687.1441118 -41509130329 3 2 28 3 2 CH3CN, v8=1
17.830805 .00000 -2.5284 3 737.8487118 -41509130329 6 3 28 6 3 CH3CN, v8=1
17.831529 .00000 -2.2532 3 614.7906118 -41509130329 0 2 28 0 2 CH3CN, v8=1
17.832505 .00000 -2.3349 3 653.1239118 -41509130329-2 2 28 2 2 CH3CN, v8=1
17.832505 .00000 -2.3349 3 653.1239118 -41509130329 2 2 28-2 2 CH3CN, v8=1
17.833257 .00000 -2.2831 3 629.0075118 -41509130329 1 2 28 1 2 CH3CN, v8=1
17.834135 .00000 -2.4281 3 692.5828118 -41509130329 5 3 28 5 3 CH3CN, v8=1
17.836987 .00000 -2.3495 3 657.2165118 -41509130329 4 3 28-4 3 CH3CN, v8=1
17.836987 .00000 -2.3495 3 657.2165118 -41509130329-4 3 28 4 3 CH3CN, v8=1
17.839653 .00000 -2.2927 3 631.7599118 -41509130329 3 3 28 3 3 CH3CN, v8=1
17.843431 .00000 -2.2575 3 616.2285118 -41509130329 2 3 28 2 3 CH3CN, v8=1
17.854937 .00000 -2.2441 3 610.7914118 -41509130329-1 3 28 1 3 CH3CN, v8=1
17.992685 -.00001 -7.2074 3 794.9728146 41509130336 2 2 35-4 3 CH3CN, v8=1
17.992685 -.00001 -7.2074 3 794.9728146 41509130336-2 2 35 4 3 CH3CN, v8=1
18.031131 .00000 -6.1157 3 580.9687110 41509130327 2 3 26 0 2 CH3CN, v8=1
18.109874 -.00001 -6.7802 3 727.1019138 41509130334 1 2 33 3 3 CH3CN, v8=1
18.113687 -.00001 -6.6777 3 563.8147102 41509130325 3 3 24 1 2 CH3CN, v8=1
18.194805 .00000 -6.2155 3 671.6029130 41509130332 0 2 31 2 3 CH3CN, v8=1
18.223320 -.00001 -7.0774 3 559.0253 94 41509130323 4 3 22-2 2 CH3CN, v8=1
18.223320 -.00001 -7.0774 3 559.0253 94 41509130323-4 3 22 2 2 CH3CN, v8=1
18.296986 .00000 -6.9883 3 2783.2765122 4150913033020 2 29b0 2 CH3CN, v8=1
18.296986 .00000 -6.9883 3 2783.2765122 41509130330b0 2 2920 2 CH3CN, v8=1
18.299732 .00000 -7.1262 3 2811.1798122 4150913033022 3 29b2 3 CH3CN, v8=1
18.299732 .00000 -7.1262 3 2811.1798122 41509130330b2 3 2922 3 CH3CN, v8=1
18.311105 .00000 -6.5395 3 2583.7447122 4150913033019 2 2919 2 CH3CN, v8=1
18.313811 .00000 -6.6652 3 2610.3566122 4150913033021 3 2921 3 CH3CN, v8=1
18.324571 .00000 -6.1142 3 2393.7111122 4150913033018 2 2918 2 CH3CN, v8=1
18.327237 .00000 -6.2282 3 2419.0250122 4150913033020 3 2920 3 CH3CN, v8=1
18.337383 .00000 -5.7139 3 2213.2155122 4150913033017 2 29a7 2 CH3CN, v8=1
18.337383 .00000 -5.7139 3 2213.2155122 41509130330a7 2 2917 2 CH3CN, v8=1
18.340000 .00000 -5.8181 3 2237.2239122 -4150913033019 3 29a9 3 CH3CN, v8=1
18.340000 .00000 -5.8181 3 2237.2239122 -41509130330a9 3 2919 3 CH3CN, v8=1
18.349542 .00000 -5.3326 3 2042.2983122 -4150913033016 2 2916 2 CH3CN, v8=1
18.352109 -.00001 -5.4282 3 2064.9902122 -4150913033018 3 2918 3 CH3CN, v8=1
18.361101 .00000 -4.9782 3 1881.0078122 -4150913033015 2 2915 2 CH3CN, v8=1
18.363544 .00000 -5.0656 3 1902.3597122 -4150913033017 3 2917 3 CH3CN, v8=1
18.373466 .00000 -4.6414 3 1729.5081122 -4150913033014 2 29a4 2 CH3CN, v8=1
18.373466 .00000 -4.6414 3 1729.5081122 -41509130330a4 2 2914 2 CH3CN, v8=1
18.374315 .00000 -4.7213 3 1749.3665122 4150913033016 3 29a6 3 CH3CN, v8=1
18.374315 .00000 -4.7213 3 1749.3665122 41509130330a6 3 2916 3 CH3CN, v8=1
18.383063 .00000 -4.3279 3 1587.0604122 -4150913033013 2 2913 2 CH3CN, v8=1
18.384428 .00000 -4.4020 3 1606.0428122 4150913033015 3 2915 3 CH3CN, v8=1
18.391540 .00000 -4.0375 3 1454.8737122 -4150913033012 2 2912 2 CH3CN, v8=1
18.393826 .00000 -4.1049 3 1472.4190122 4150913033014 3 2914 3 CH3CN, v8=1
18.400186 .00000 -3.7689 3 1332.3314122 -4150913033011 2 29a1 2 CH3CN, v8=1
18.400186 .00000 -3.7689 3 1332.3314122 -41509130330a1 2 2911 2 CH3CN, v8=1
18.402566 .00000 -3.8301 3 1348.5242122 -4150913033013 3 29a3 3 CH3CN, v8=1
18.402566 .00000 -3.8301 3 1348.5242122 -41509130330a3 3 2913 3 CH3CN, v8=1
18.408209 .00000 -3.5220 3 1219.5341122 -4150913033010 2 2910 2 CH3CN, v8=1
18.410628 .00000 -3.5774 3 1234.3851122 -4150913033012 3 2912 3 CH3CN, v8=1
18.415550 .00000 -3.2968 3 1116.5160122 -41509130330 9 2 29 9 2 CH3CN, v8=1
18.418008 .00000 -3.3467 3 1130.0268122 -4150913033011 3 2911 3 CH3CN, v8=1
18.422192 .00000 -3.0935 3 1023.3025122 -41509130330 8 2 29-8 2 CH3CN, v8=1
18.422192 .00000 -3.0935 3 1023.3025122 -41509130330-8 2 29 8 2 CH3CN, v8=1
18.424709 .00000 -3.1378 3 1035.4722122 -4150913033010 3 29a0 3 CH3CN, v8=1
18.424709 .00000 -3.1378 3 1035.4722122 -41509130330a0 3 2910 3 CH3CN, v8=1
18.428123 .00000 -2.9118 3 939.9154122 -41509130330 7 2 29 7 2 CH3CN, v8=1
18.430732 .00000 -2.9509 3 950.7423122 -41509130330 9 3 29 9 3 CH3CN, v8=1
18.433332 .00000 -2.7519 3 866.3736122 -41509130330 6 2 29 6 2 CH3CN, v8=1
18.434301 .00000 -2.2383 3 628.1315122 -41509130330-1 3 29 1 3 CH3CN, v8=1
18.436084 .00000 -2.7858 3 875.8560122 -41509130330 8 3 29 8 3 CH3CN, v8=1
18.437802 .00000 -2.6135 3 802.6938122 -41509130330 5 2 29-5 2 CH3CN, v8=1
18.437802 .00000 -2.6135 3 802.6938122 -41509130330-5 2 29 5 2 CH3CN, v8=1
18.440777 .00000 -2.6424 3 810.8301122 -41509130330 7 3 29-7 3 CH3CN, v8=1
18.440777 .00000 -2.6424 3 810.8301122 -41509130330-7 3 29 7 3 CH3CN, v8=1
18.441505 .00000 -2.4969 3 748.8902122 -41509130330 4 2 29 4 2 CH3CN, v8=1
18.444393 .00000 -2.4018 3 704.9747122 -41509130330 3 2 29 3 2 CH3CN, v8=1
18.444832 .00000 -2.5208 3 755.6795122 -41509130330 6 3 29 6 3 CH3CN, v8=1
18.445121 .00000 -2.2468 3 632.6221122 -41509130330 0 2 29 0 2 CH3CN, v8=1
18.446353 .00000 -2.3284 3 670.9564122 -41509130330 2 2 29-2 2 CH3CN, v8=1
18.446353 .00000 -2.3284 3 670.9564122 -41509130330-2 2 29 2 2 CH3CN, v8=1
18.447063 .00000 -2.2767 3 646.8408122 -41509130330 1 2 29 1 2 CH3CN, v8=1
18.448297 .00000 -2.4208 3 710.4170122 -41509130330 5 3 29 5 3 CH3CN, v8=1
18.451282 .00000 -2.3425 3 675.0535122 -41509130330 4 3 29-4 3 CH3CN, v8=1
18.451282 .00000 -2.3425 3 675.0535122 -41509130330-4 3 29 4 3 CH3CN, v8=1
18.454105 .00000 -2.2860 3 649.5996122 -41509130330 3 3 29 3 3 CH3CN, v8=1
18.458167 .00000 -2.2511 3 634.0719122 -41509130330 2 3 29 2 3 CH3CN, v8=1
18.469694 .00000 -2.2378 3 628.6464122 41509130330 1 3 29-1 3 CH3CN, v8=1
18.597487 -.00001 -7.1915 3 817.1080150 41509130337-2 2 36 4 3 CH3CN, v8=1
18.597487 -.00001 -7.1915 3 817.1080150 41509130337 2 2 36-4 3 CH3CN, v8=1
18.655766 .00000 -6.0877 3 597.5727114 41509130328 2 3 27 0 2 CH3CN, v8=1
18.713053 -.00001 -6.7636 3 748.0131142 41509130335 1 2 34 3 3 CH3CN, v8=1
18.732595 -.00001 -6.6354 3 579.1916106 41509130326 3 3 25 1 2 CH3CN, v8=1
18.792536 .00000 -6.2075 3 691.2904134 41509130333 0 2 32 2 3 CH3CN, v8=1
18.840387 -.00001 -7.0279 3 573.1726 98 41509130324-4 3 23 2 2 CH3CN, v8=1
18.840387 -.00001 -7.0279 3 573.1726 98 41509130324 4 3 23-2 2 CH3CN, v8=1
18.905991 .00000 -6.9628 3 2801.5735126 4150913033120 2 30b0 2 CH3CN, v8=1
18.905991 .00000 -6.9628 3 2801.5735126 41509130331b0 2 3020 2 CH3CN, v8=1
18.908868 .00000 -7.0913 3 2829.4795126 4150913033122 3 30b2 3 CH3CN, v8=1
18.908868 .00000 -7.0913 3 2829.4795126 41509130331b2 3 3022 3 CH3CN, v8=1
18.920568 .00000 -6.5175 3 2602.0558126 4150913033119 2 3019 2 CH3CN, v8=1
18.923407 .00000 -6.6349 3 2628.6704126 4150913033121 3 3021 3 CH3CN, v8=1
18.934473 .00000 -6.0951 3 2412.0356126 4150913033118 2 3018 2 CH3CN, v8=1
18.937272 .00000 -6.2028 3 2437.3523126 4150913033120 3 3020 3 CH3CN, v8=1
18.947701 .00000 -5.6953 3 2231.5528126 4150913033117 2 30a7 2 CH3CN, v8=1
18.947701 .00000 -5.6953 3 2231.5528126 41509130331a7 2 3017 2 CH3CN, v8=1
18.950458 -.00001 -5.7944 3 2255.5639126 -4150913033119 3 30a9 3 CH3CN, v8=1
18.950458 -.00001 -5.7944 3 2255.5639126 -41509130331a9 3 3019 3 CH3CN, v8=1
18.960253 .00000 -5.3180 3 2060.6479126 -4150913033116 2 3016 2 CH3CN, v8=1
18.962958 -.00001 -5.4092 3 2083.3423126 -4150913033118 3 3018 3 CH3CN, v8=1
18.972194 .00000 -4.9628 3 1899.3689126 -4150913033115 2 3015 2 CH3CN, v8=1
18.974769 .00000 -5.0468 3 1920.7233126 -4150913033117 3 3017 3 CH3CN, v8=1
18.984984 .00000 -4.6300 3 1747.8816126 -4150913033114 2 30a4 2 CH3CN, v8=1
18.984984 .00000 -4.6300 3 1747.8816126 -41509130331a4 2 3014 2 CH3CN, v8=1
18.985893 .00000 -4.7067 3 1767.7408126 4150913033116 3 30a6 3 CH3CN, v8=1
18.985893 .00000 -4.7067 3 1767.7408126 41509130331a6 3 3016 3 CH3CN, v8=1
18.994857 .00000 -4.3178 3 1605.4435126 -4150913033113 2 3013 2 CH3CN, v8=1
18.996341 .00000 -4.3891 3 1624.4272126 4150913033115 3 3015 3 CH3CN, v8=1
19.003613 .00000 -4.0286 3 1473.2652126 -4150913033112 2 3012 2 CH3CN, v8=1
19.006047 .00000 -4.0936 3 1490.8128126 -4150913033114 3 3014 3 CH3CN, v8=1
19.012538 .00000 -3.7609 3 1350.7316126 -4150913033111 2 30a1 2 CH3CN, v8=1
19.012538 .00000 -3.7609 3 1350.7316126 -41509130331a1 2 3011 2 CH3CN, v8=1
19.015075 .00000 -3.8200 3 1366.9268126 -4150913033113 3 30a3 3 CH3CN, v8=1
19.015075 .00000 -3.8200 3 1366.9268126 -41509130331a3 3 3013 3 CH3CN, v8=1
19.020820 .00000 -3.5149 3 1237.9423126 -4150913033110 2 3010 2 CH3CN, v8=1
19.023403 .00000 -3.5685 3 1252.7958126 -4150913033112 3 3012 3 CH3CN, v8=1
19.028396 .00000 -3.2905 3 1134.9315126 -41509130331 9 2 30 9 2 CH3CN, v8=1
19.031029 .00000 -3.3387 3 1148.4448126 -4150913033111 3 3011 3 CH3CN, v8=1
19.035249 .00000 -3.0877 3 1041.7247126 -41509130331 8 2 30-8 2 CH3CN, v8=1
19.035249 .00000 -3.0877 3 1041.7247126 -41509130331-8 2 30 8 2 CH3CN, v8=1
19.037953 .00000 -3.1307 3 1053.8969126 -4150913033110 3 30a0 3 CH3CN, v8=1
19.037953 .00000 -3.1307 3 1053.8969126 -41509130331a0 3 3010 3 CH3CN, v8=1
19.041367 .00000 -2.9066 3 958.3435126 -41509130331 7 2 30 7 2 CH3CN, v8=1
19.044180 .00000 -2.9446 3 969.1730126 -41509130331 9 3 30 9 3 CH3CN, v8=1
19.046737 .00000 -2.7471 3 884.8069126 -41509130331 6 2 30 6 2 CH3CN, v8=1
19.047801 .00000 -2.2346 3 646.5658126 -41509130331 1 3 30-1 3 CH3CN, v8=1
19.049715 .00000 -2.7800 3 894.2921126 -41509130331 8 3 30 8 3 CH3CN, v8=1
19.051341 .00000 -2.6091 3 821.1316126 -41509130331 5 2 30-5 2 CH3CN, v8=1
19.051341 .00000 -2.6091 3 821.1316126 -41509130331-5 2 30 5 2 CH3CN, v8=1
19.054572 .00000 -2.6372 3 829.2709126 -41509130331 7 3 30-7 3 CH3CN, v8=1
19.054572 .00000 -2.6372 3 829.2709126 -41509130331-7 3 30 7 3 CH3CN, v8=1
19.055149 .00000 -2.4927 3 767.3317126 -41509130331 4 2 30 4 2 CH3CN, v8=1
19.058108 .00000 -2.3979 3 723.4191126 -41509130331 3 2 30 3 2 CH3CN, v8=1
19.058592 .00000 -2.2432 3 651.0672126 -41509130331 0 2 30 0 2 CH3CN, v8=1
19.058776 .00000 -2.5160 3 774.1244126 -41509130331 6 3 30 6 3 CH3CN, v8=1
19.060093 .00000 -2.3247 3 689.4028126 -41509130331-2 2 30 2 2 CH3CN, v8=1
19.060093 .00000 -2.3247 3 689.4028126 -41509130331 2 2 30-2 2 CH3CN, v8=1
19.060755 .00000 -2.2731 3 665.2878126 -41509130331 1 2 30 1 2 CH3CN, v8=1
19.062377 .00000 -2.4164 3 728.8653126 -41509130331 5 3 30 5 3 CH3CN, v8=1
19.065497 .00000 -2.3384 3 693.5048126 -41509130331 4 3 30-4 3 CH3CN, v8=1
19.065497 .00000 -2.3384 3 693.5048126 -41509130331-4 3 30 4 3 CH3CN, v8=1
19.068483 .00000 -2.2821 3 668.0537126 -41509130331 3 3 30 3 3 CH3CN, v8=1
19.072836 .00000 -2.2473 3 652.5301126 -41509130331 2 3 30 2 3 CH3CN, v8=1
19.084357 .00000 -2.2341 3 647.1161126 -41509130331-1 3 30 1 3 CH3CN, v8=1
19.201502 -.00001 -7.1793 3 839.8570154 41509130338 2 2 37-4 3 CH3CN, v8=1
19.201502 -.00001 -7.1793 3 839.8570154 41509130338-2 2 37 4 3 CH3CN, v8=1
19.281376 .00000 -6.0647 3 614.7906118 41509130329 2 3 28 0 2 CH3CN, v8=1
19.315256 -.00001 -6.7508 3 769.5383146 41509130336 1 2 35 3 3 CH3CN, v8=1
19.351937 -.00001 -6.5975 3 595.1828110 41509130327 3 3 26 1 2 CH3CN, v8=1
19.388845 .00000 -6.2042 3 711.5923138 41509130334 0 2 33 2 3 CH3CN, v8=1
19.457684 -.00001 -6.9828 3 587.9344102 41509130325 4 3 24-2 2 CH3CN, v8=1
19.457684 -.00001 -6.9828 3 587.9344102 41509130325-4 3 24 2 2 CH3CN, v8=1
19.514907 .00000 -6.9429 3 2820.4795130 4150913033220 2 31b0 2 CH3CN, v8=1
19.514907 .00000 -6.9429 3 2820.4795130 41509130332b0 2 3120 2 CH3CN, v8=1
19.517918 .00000 -7.0637 3 2848.3884130 4150913033222 3 31b2 3 CH3CN, v8=1
19.517918 .00000 -7.0637 3 2848.3884130 41509130332b2 3 3122 3 CH3CN, v8=1
19.529943 .00000 -6.5004 3 2620.9764130 4150913033219 2 3119 2 CH3CN, v8=1
19.532917 .00000 -6.6115 3 2647.5938130 4150913033221 3 3121 3 CH3CN, v8=1
19.544284 .00000 -6.0804 3 2430.9701130 4150913033218 2 3118 2 CH3CN, v8=1
19.547220 .00000 -6.1829 3 2456.2895130 4150913033220 3 3120 3 CH3CN, v8=1
19.557928 .00000 -5.6827 3 2250.5005130 4150913033217 2 31a7 2 CH3CN, v8=1
19.557928 .00000 -5.6827 3 2250.5005130 41509130332a7 2 3117 2 CH3CN, v8=1
19.560823 .00000 -5.7775 3 2274.5143130 4150913033219 3 31a9 3 CH3CN, v8=1
19.560823 .00000 -5.7775 3 2274.5143130 41509130332a9 3 3119 3 CH3CN, v8=1
19.570876 .00000 -5.3072 3 2079.6081130 -4150913033216 2 3116 2 CH3CN, v8=1
19.573720 .00000 -5.3946 3 2102.3053130 4150913033218 3 3118 3 CH3CN, v8=1
19.583186 .00000 -4.9536 3 1918.3411130 -4150913033215 2 3115 2 CH3CN, v8=1
19.585907 .00000 -5.0342 3 1939.6981130 -4150913033217 3 3117 3 CH3CN, v8=1
19.596409 .00000 -4.6221 3 1766.8666130 -4150913033214 2 31a4 2 CH3CN, v8=1
19.596409 .00000 -4.6221 3 1766.8666130 -41509130332a4 2 3114 2 CH3CN, v8=1
19.597383 .00000 -4.6960 3 1786.7267130 4150913033216 3 31a6 3 CH3CN, v8=1
19.597383 .00000 -4.6960 3 1786.7267130 41509130332a6 3 3116 3 CH3CN, v8=1
19.606558 .00000 -4.3110 3 1624.4383130 -4150913033213 2 3113 2 CH3CN, v8=1
19.608165 .00000 -4.3801 3 1643.4235130 4150913033215 3 3115 3 CH3CN, v8=1
19.615592 .00000 -4.0228 3 1492.2688130 -4150913033212 2 3112 2 CH3CN, v8=1
19.618175 .00000 -4.0857 3 1509.8189130 -4150913033214 3 3114 3 CH3CN, v8=1
19.624795 .00000 -3.7560 3 1369.7441130 -4150913033211 2 31a1 2 CH3CN, v8=1
19.624795 .00000 -3.7560 3 1369.7441130 -41509130332a1 2 3111 2 CH3CN, v8=1
19.627494 .00000 -3.8132 3 1385.9418130 -4150913033213 3 31a3 3 CH3CN, v8=1
19.627494 .00000 -3.8132 3 1385.9418130 -41509130332a3 3 3113 3 CH3CN, v8=1
19.633332 .00000 -3.5107 3 1256.9631130 -4150913033210 2 3110 2 CH3CN, v8=1
19.636087 .00000 -3.5627 3 1271.8192130 -4150913033212 3 3112 3 CH3CN, v8=1
19.641142 .00000 -3.2869 3 1153.9599130 -41509130332 9 2 31 9 2 CH3CN, v8=1
19.643959 .00000 -3.3338 3 1167.4759130 -4150913033211 3 3111 3 CH3CN, v8=1
19.648206 .00000 -3.0848 3 1060.7599130 -41509130332 8 2 31-8 2 CH3CN, v8=1
19.648206 .00000 -3.0848 3 1060.7599130 -41509130332-8 2 31 8 2 CH3CN, v8=1
19.651107 .00000 -3.1266 3 1072.9349130 -4150913033210 3 31a0 3 CH3CN, v8=1
19.651107 .00000 -3.1266 3 1072.9349130 -41509130332a0 3 3110 3 CH3CN, v8=1
19.654509 .00000 -2.9042 3 977.3849130 -41509130332 7 2 31 7 2 CH3CN, v8=1
19.657537 .00000 -2.9410 3 988.2172130 -41509130332 9 3 31 9 3 CH3CN, v8=1
19.660039 .00000 -2.7450 3 903.8537130 -41509130332 6 2 31 6 2 CH3CN, v8=1
19.661204 .00000 -2.2336 3 665.6136130 -41509130332-1 3 31 1 3 CH3CN, v8=1
19.663256 .00000 -2.7771 3 913.3418130 -41509130332 8 3 31 8 3 CH3CN, v8=1
19.664776 .00000 -2.6073 3 840.1829130 -41509130332 5 2 31-5 2 CH3CN, v8=1
19.664776 .00000 -2.6073 3 840.1829130 -41509130332-5 2 31 5 2 CH3CN, v8=1
19.668278 .00000 -2.6347 3 848.3255130 -41509130332 7 3 31-7 3 CH3CN, v8=1
19.668278 .00000 -2.6347 3 848.3255130 -41509130332-7 3 31 7 3 CH3CN, v8=1
19.668688 .00000 -2.4913 3 786.3869130 -41509130332 4 2 31 4 2 CH3CN, v8=1
19.671715 .00000 -2.3966 3 742.4772130 -41509130332 3 2 31 3 2 CH3CN, v8=1
19.671940 .00000 -2.2423 3 670.1258130 -41509130332 0 2 31 0 2 CH3CN, v8=1
19.672632 .00000 -2.5139 3 793.1831130 -41509130332 6 3 31 6 3 CH3CN, v8=1
19.673723 .00000 -2.3236 3 708.4629130 -41509130332 2 2 31-2 2 CH3CN, v8=1
19.673723 .00000 -2.3236 3 708.4629130 -41509130332-2 2 31 2 2 CH3CN, v8=1
19.674331 .00000 -2.2721 3 684.3486130 -41509130332 1 2 31 1 2 CH3CN, v8=1
19.676372 .00000 -2.4147 3 747.9277130 -41509130332 5 3 31 5 3 CH3CN, v8=1
19.679630 .00000 -2.3370 3 712.5703130 -41509130332 4 3 31-4 3 CH3CN, v8=1
19.679630 .00000 -2.3370 3 712.5703130 -41509130332-4 3 31 4 3 CH3CN, v8=1
19.682785 .00000 -2.2809 3 687.1221130 -41509130332 3 3 31 3 3 CH3CN, v8=1
19.687434 .00000 -2.2462 3 671.6029130 -41509130332 2 3 31 2 3 CH3CN, v8=1
19.698922 .00000 -2.2332 3 666.2004130 -41509130332 1 3 31-1 3 CH3CN, v8=1
19.804696 -.00001 -7.1705 3 863.2195158 41509130339-2 2 38 4 3 CH3CN, v8=1
19.804696 -.00001 -7.1705 3 863.2195158 41509130339 2 2 38-4 3 CH3CN, v8=1
19.908013 .00000 -6.0465 3 632.6221122 41509130330 2 3 29 0 2 CH3CN, v8=1
19.916439 -.00001 -6.7419 3 791.6774150 41509130337 1 2 36 3 3 CH3CN, v8=1
19.971746 -.00001 -6.5634 3 611.7882114 41509130328 3 3 27 1 2 CH3CN, v8=1
19.983685 .00000 -6.2057 3 732.5087142 41509130335 0 2 34 2 3 CH3CN, v8=1
20.075231 -.00001 -6.9419 3 603.3105106 41509130326-4 3 25 2 2 CH3CN, v8=1
20.075231 -.00001 -6.9419 3 603.3105106 41509130326 4 3 25-2 2 CH3CN, v8=1
20.123732 .00000 -6.9278 3 2839.9944134 4150913033320 2 32b0 2 CH3CN, v8=1
20.123732 .00000 -6.9278 3 2839.9944134 41509130333b0 2 3220 2 CH3CN, v8=1
20.126882 .00000 -7.0422 3 2867.9063134 4150913033322 3 32b2 3 CH3CN, v8=1
20.126882 .00000 -7.0422 3 2867.9063134 41509130333b2 3 3222 3 CH3CN, v8=1
20.139225 .00000 -6.4878 3 2640.5063134 4150913033319 2 3219 2 CH3CN, v8=1
20.142340 .00000 -6.5936 3 2667.1267134 4150913033321 3 3221 3 CH3CN, v8=1
20.154002 .00000 -6.0699 3 2450.5144134 4150913033318 2 3218 2 CH3CN, v8=1
20.157081 .00000 -6.1679 3 2475.8368134 4150913033320 3 3220 3 CH3CN, v8=1
20.168060 .00000 -5.6740 3 2270.0585134 4150913033317 2 32a7 2 CH3CN, v8=1
20.168060 .00000 -5.6740 3 2270.0585134 41509130333a7 2 3217 2 CH3CN, v8=1
20.171099 .00000 -5.7700 3 2294.0751134 4150913033319 3 32a9 3 CH3CN, v8=1
20.171099 .00000 -5.7700 3 2294.0751134 41509130333a9 3 3219 3 CH3CN, v8=1
20.181403 .00000 -5.3000 3 2099.1790134 4150913033316 2 3216 2 CH3CN, v8=1
20.184392 .00000 -5.3841 3 2121.8790134 4150913033318 3 3218 3 CH3CN, v8=1
20.194087 .00000 -4.9477 3 1937.9243134 4150913033315 2 3215 2 CH3CN, v8=1
20.196953 .00000 -5.0271 3 1959.2840134 4150913033317 3 3217 3 CH3CN, v8=1
20.207741 .00000 -4.6174 3 1786.4630134 4150913033314 2 32a4 2 CH3CN, v8=1
20.207741 .00000 -4.6174 3 1786.4630134 41509130333a4 2 3214 2 CH3CN, v8=1
20.208781 .00000 -4.6888 3 1806.3240134 4150913033316 3 32a6 3 CH3CN, v8=1
20.208781 .00000 -4.6888 3 1806.3240134 41509130333a6 3 3216 3 CH3CN, v8=1
20.218160 .00000 -4.3075 3 1644.0449134 4150913033313 2 3213 2 CH3CN, v8=1
20.219899 .00000 -4.3741 3 1663.0317134 4150913033315 3 3215 3 CH3CN, v8=1
20.227469 .00000 -4.0200 3 1511.8844134 4150913033312 2 3212 2 CH3CN, v8=1
20.230213 .00000 -4.0810 3 1529.4370134 4150913033314 3 3214 3 CH3CN, v8=1
20.236950 .00000 -3.7540 3 1389.3689134 4150913033311 2 32a1 2 CH3CN, v8=1
20.236950 .00000 -3.7540 3 1389.3689134 41509130333a1 2 3211 2 CH3CN, v8=1
20.239819 .00000 -3.8097 3 1405.5693134 4150913033313 3 32a3 3 CH3CN, v8=1
20.239819 .00000 -3.8097 3 1405.5693134 41509130333a3 3 3213 3 CH3CN, v8=1
20.245744 .00000 -3.5094 3 1276.5964134 4150913033310 2 3210 2 CH3CN, v8=1
20.248679 .00000 -3.5600 3 1291.4553134 4150913033312 3 3212 3 CH3CN, v8=1
20.253787 .00000 -3.2863 3 1173.6010134 41509130333 9 2 32 9 2 CH3CN, v8=1
20.256796 .00000 -3.3318 3 1187.1198134 4150913033311 3 3211 3 CH3CN, v8=1
20.261060 .00000 -3.0846 3 1080.4081134 41509130333 8 2 32-8 2 CH3CN, v8=1
20.261060 .00000 -3.0846 3 1080.4081134 41509130333-8 2 32 8 2 CH3CN, v8=1
20.264169 .00000 -3.1253 3 1092.5860134 4150913033310 3 32a0 3 CH3CN, v8=1
20.264169 .00000 -3.1253 3 1092.5860134 41509130333a0 3 3210 3 CH3CN, v8=1
20.267548 .00000 -2.9044 3 997.0394134 41509130333 7 2 32 7 2 CH3CN, v8=1
20.270803 .00000 -2.9404 3 1007.8747134 41509130333 9 3 32 9 3 CH3CN, v8=1
20.273237 .00000 -2.7456 3 923.5137134 41509130333 6 2 32 6 2 CH3CN, v8=1
20.274509 .00000 -2.2351 3 685.2748134 41509130333 1 3 32-1 3 CH3CN, v8=1
20.276706 .00000 -2.7769 3 933.0050134 41509130333 8 3 32 8 3 CH3CN, v8=1
20.278105 .00000 -2.6082 3 859.8477134 41509130333 5 2 32-5 2 CH3CN, v8=1
20.278105 .00000 -2.6082 3 859.8477134 41509130333-5 2 32 5 2 CH3CN, v8=1
20.281894 .00000 -2.6350 3 867.9938134 41509130333 7 3 32-7 3 CH3CN, v8=1
20.281894 .00000 -2.6350 3 867.9938134 41509130333-7 3 32 7 3 CH3CN, v8=1
20.282119 .00000 -2.4924 3 806.0556134 41509130333 4 2 32 4 2 CH3CN, v8=1
20.285166 .00000 -2.2438 3 689.7977134 41509130333 0 2 32 0 2 CH3CN, v8=1
20.285211 .00000 -2.3980 3 762.1489134 41509130333 3 2 32 3 2 CH3CN, v8=1
20.286398 .00000 -2.5145 3 812.8558134 41509130333 6 3 32 6 3 CH3CN, v8=1
20.287238 .00000 -2.3251 3 728.1366134 41509130333-2 2 32 2 2 CH3CN, v8=1
20.287238 .00000 -2.3251 3 728.1366134 41509130333 2 2 32-2 2 CH3CN, v8=1
20.287787 .00000 -2.2737 3 704.0229134 41509130333 1 2 32 1 2 CH3CN, v8=1
20.290278 .00000 -2.4156 3 767.6040134 41509130333 5 3 32 5 3 CH3CN, v8=1
20.293678 .00000 -2.3381 3 732.2499134 41509130333 4 3 32-4 3 CH3CN, v8=1
20.293678 .00000 -2.3381 3 732.2499134 41509130333-4 3 32 4 3 CH3CN, v8=1
20.297007 .00000 -2.2822 3 706.8049134 41509130333 3 3 32 3 3 CH3CN, v8=1
20.301956 .00000 -2.2477 3 691.2904134 41509130333 2 3 32 2 3 CH3CN, v8=1
20.313388 .00000 -2.2348 3 685.8993134 41509130333-1 3 32 1 3 CH3CN, v8=1
20.407033 -.00001 -7.1652 3 887.1956162 41509130340 2 2 39-4 3 CH3CN, v8=1
20.407034 -.00001 -7.1652 3 887.1956162 41509130340-2 2 39 4 3 CH3CN, v8=1
20.516560 -.00001 -6.7367 3 814.4305154 41509130338 1 2 37 3 3 CH3CN, v8=1
20.535729 .00000 -6.0331 3 651.0672126 41509130331 2 3 30 0 2 CH3CN, v8=1
20.577013 .00000 -6.2117 3 754.0395146 41509130336 0 2 35 2 3 CH3CN, v8=1
20.592057 -.00001 -6.5349 3 629.0075118 41509130329 3 3 28 1 2 CH3CN, v8=1
20.693051 -.00001 -6.9050 3 619.3009110 41509130327 4 3 26-2 2 CH3CN, v8=1
20.693051 -.00001 -6.9050 3 619.3009110 41509130327-4 3 26 2 2 CH3CN, v8=1
20.732463 .00000 -6.9171 3 2860.1181138 4150913033420 2 33b0 2 CH3CN, v8=1
20.732463 .00000 -6.9171 3 2860.1181138 41509130334b0 2 3320 2 CH3CN, v8=1
20.735755 .00000 -7.0263 3 2888.0332138 4150913033422 3 33b2 3 CH3CN, v8=1
20.735755 .00000 -7.0263 3 2888.0332138 41509130334b2 3 3322 3 CH3CN, v8=1
20.748413 .00000 -6.4793 3 2660.6455138 4150913033419 2 3319 2 CH3CN, v8=1
20.751671 .00000 -6.5805 3 2687.2690138 4150913033421 3 3321 3 CH3CN, v8=1
20.763624 .00000 -6.0631 3 2470.6684138 4150913033418 2 3318 2 CH3CN, v8=1
20.766849 .00000 -6.1573 3 2495.9938138 4150913033420 3 3320 3 CH3CN, v8=1
20.778093 -.00001 -5.6687 3 2290.2265138 -4150913033417 2 33a7 2 CH3CN, v8=1
20.778093 -.00001 -5.6687 3 2290.2265138 -41509130334a7 2 3317 2 CH3CN, v8=1
20.781280 .00000 -5.7623 3 2314.2462138 -4150913033419 3 33a9 3 CH3CN, v8=1
20.781280 .00000 -5.7623 3 2314.2462138 -41509130334a9 3 3319 3 CH3CN, v8=1
20.791830 .00000 -5.2961 3 2119.3604138 -4150913033416 2 3316 2 CH3CN, v8=1
20.794970 .00000 -5.3774 3 2142.0634138 4150913033418 3 3318 3 CH3CN, v8=1
20.804885 .00000 -4.9450 3 1958.1184138 -4150913033415 2 3315 2 CH3CN, v8=1
20.807905 .00000 -5.0222 3 1979.4809138 -4150913033417 3 3317 3 CH3CN, v8=1
20.818976 .00000 -4.6158 3 1806.6707138 -4150913033414 2 33a4 2 CH3CN, v8=1
20.818976 .00000 -4.6158 3 1806.6707138 -41509130334a4 2 3314 2 CH3CN, v8=1
20.820085 .00000 -4.6850 3 1826.5328138 4150913033416 3 33a6 3 CH3CN, v8=1
20.820085 .00000 -4.6850 3 1826.5328138 41509130334a6 3 3316 3 CH3CN, v8=1
20.829661 .00000 -4.3069 3 1664.2630138 -4150913033413 2 3313 2 CH3CN, v8=1
20.831538 .00000 -4.3714 3 1683.2516138 4150913033415 3 3315 3 CH3CN, v8=1
20.839243 .00000 -4.0201 3 1532.1119138 -4150913033412 2 3312 2 CH3CN, v8=1
20.842155 .00000 -4.0794 3 1549.6673138 -4150913033414 3 3314 3 CH3CN, v8=1
20.849003 .00000 -3.7547 3 1409.6059138 -4150913033411 2 33a1 2 CH3CN, v8=1
20.849003 .00000 -3.7547 3 1409.6059138 -41509130334a1 2 3311 2 CH3CN, v8=1
20.852049 .00000 -3.8090 3 1425.8091138 -4150913033413 3 33a3 3 CH3CN, v8=1
20.852049 .00000 -3.8090 3 1425.8091138 -41509130334a3 3 3313 3 CH3CN, v8=1
20.858049 .00000 -3.5108 3 1296.8422138 -4150913033410 2 3310 2 CH3CN, v8=1
20.861175 .00000 -3.5601 3 1311.7039138 -4150913033412 3 3312 3 CH3CN, v8=1
20.866326 .00000 -3.2882 3 1193.8548138 -41509130334 9 2 33 9 2 CH3CN, v8=1
20.869537 .00000 -3.3327 3 1207.3766138 -4150913033411 3 3311 3 CH3CN, v8=1
20.873807 .00000 -3.0870 3 1100.6692138 -41509130334 8 2 33-8 2 CH3CN, v8=1
20.873807 .00000 -3.0870 3 1100.6692138 -41509130334-8 2 33 8 2 CH3CN, v8=1
20.877134 .00000 -3.1268 3 1112.8502138 -4150913033410 3 33a0 3 CH3CN, v8=1
20.877134 .00000 -3.1268 3 1112.8502138 -41509130334a0 3 3310 3 CH3CN, v8=1
20.880479 .00000 -2.9072 3 1017.3069138 -41509130334 7 2 33 7 2 CH3CN, v8=1
20.883971 .00000 -2.9424 3 1028.1455138 -41509130334 9 3 33 9 3 CH3CN, v8=1
20.886325 .00000 -2.7488 3 943.7870138 -41509130334 6 2 33 6 2 CH3CN, v8=1
20.887709 .00000 -2.2391 3 705.5493138 -41509130334-1 3 33 1 3 CH3CN, v8=1
20.890059 .00000 -2.7794 3 953.2817138 -41509130334 8 3 33 8 3 CH3CN, v8=1
20.891323 .00000 -2.6117 3 880.1258138 -41509130334 5 2 33-5 2 CH3CN, v8=1
20.891323 .00000 -2.6117 3 880.1258138 -41509130334-5 2 33 5 2 CH3CN, v8=1
20.895415 .00000 -2.6378 3 888.2757138 41509130334 7 3 33-7 3 CH3CN, v8=1
20.895415 .00000 -2.6378 3 888.2757138 41509130334-7 3 33 7 3 CH3CN, v8=1
20.895437 .00000 -2.4961 3 826.3377138 41509130334 4 2 33 4 2 CH3CN, v8=1
20.898264 .00000 -2.2479 3 710.0829138 -41509130334 0 2 33 0 2 CH3CN, v8=1
20.898592 .00000 -2.4019 3 782.4341138 -41509130334 3 2 33 3 2 CH3CN, v8=1
20.900070 .00000 -2.5177 3 833.1422138 -41509130334 6 3 33 6 3 CH3CN, v8=1
20.900634 .00000 -2.3290 3 748.4238138 -41509130334 2 2 33-2 2 CH3CN, v8=1
20.900634 .00000 -2.3290 3 748.4238138 -41509130334-2 2 33 2 2 CH3CN, v8=1
20.901119 .00000 -2.2777 3 724.3107138 -41509130334 1 2 33 1 2 CH3CN, v8=1
20.904093 .00000 -2.4190 3 787.8943138 -41509130334 5 3 33 5 3 CH3CN, v8=1
20.907637 .00000 -2.3418 3 752.5436138 -41509130334 4 3 33-4 3 CH3CN, v8=1
20.907637 .00000 -2.3418 3 752.5436138 -41509130334-4 3 33 4 3 CH3CN, v8=1
20.911145 .00000 -2.2860 3 727.1019138 -41509130334 3 3 33 3 3 CH3CN, v8=1
20.916395 .00000 -2.2516 3 711.5923138 -41509130334 2 3 33 2 3 CH3CN, v8=1
20.927748 .00000 -2.2388 3 706.2127138 -41509130334 1 3 33-1 3 CH3CN, v8=1
21.008480 -.00001 -7.1632 3 911.7850166 41509130341-2 2 40 4 3 CH3CN, v8=1
21.008480 -.00001 -7.1632 3 911.7850166 41509130341 2 2 40-4 3 CH3CN, v8=1
21.115575 -.00001 -6.7351 3 837.7973158 41509130339 1 2 38 3 3 CH3CN, v8=1
21.164571 .00000 -6.0243 3 670.1258130 41509130332 2 3 31 0 2 CH3CN, v8=1
21.168788 .00000 -6.2221 3 776.1845150 41509130337 0 2 36 2 3 CH3CN, v8=1
21.212904 -.00001 -6.5119 3 646.8408122 41509130330 3 3 29 1 2 CH3CN, v8=1
21.311167 -.00001 -6.8718 3 635.9054114 41509130328-4 3 27 2 2 CH3CN, v8=1
21.311167 -.00001 -6.8718 3 635.9054114 41509130328 4 3 27-2 2 CH3CN, v8=1
21.341098 .00000 -6.9104 3 2880.8506142 4150913033520 2 34b0 2 CH3CN, v8=1
21.341098 .00000 -6.9104 3 2880.8506142 41509130335b0 2 3420 2 CH3CN, v8=1
21.344536 .00000 -7.0151 3 2908.7690142 4150913033522 3 34b2 3 CH3CN, v8=1
21.344536 .00000 -7.0151 3 2908.7690142 41509130335b2 3 3422 3 CH3CN, v8=1
21.357502 .00000 -6.4750 3 2681.3939142 4150913033519 2 3419 2 CH3CN, v8=1
21.360909 .00000 -6.5718 3 2708.0207142 4150913033521 3 3421 3 CH3CN, v8=1
21.373147 .00000 -6.0598 3 2491.4320142 4150913033518 2 3418 2 CH3CN, v8=1
21.376523 .00000 -6.1507 3 2516.7607142 4150913033520 3 3420 3 CH3CN, v8=1
21.388030 .00000 -5.6670 3 2311.0046142 -4150913033517 2 34a7 2 CH3CN, v8=1
21.388030 .00000 -5.6670 3 2311.0046142 -41509130335a7 2 3417 2 CH3CN, v8=1
21.391373 .00000 -5.7515 3 2335.0275142 4150913033519 3 34a9 3 CH3CN, v8=1
21.391373 .00000 -5.7515 3 2335.0275142 41509130335a9 3 3419 3 CH3CN, v8=1
21.402157 .00000 -5.2954 3 2140.1522142 4150913033516 2 3416 2 CH3CN, v8=1
21.405453 .00000 -5.3742 3 2162.8584142 4150913033518 3 3418 3 CH3CN, v8=1
21.415584 .00000 -4.9454 3 1978.9233142 -4150913033515 2 3415 2 CH3CN, v8=1
21.418760 .00000 -5.0185 3 2000.2888142 4150913033517 3 3417 3 CH3CN, v8=1
21.430111 .00000 -4.6171 3 1827.4897142 -4150913033514 2 34a4 2 CH3CN, v8=1
21.430111 .00000 -4.6171 3 1827.4897142 -41509130335a4 2 3414 2 CH3CN, v8=1
21.431291 .00000 -4.6844 3 1847.3529142 4150913033516 3 34a6 3 CH3CN, v8=1
21.431291 .00000 -4.6844 3 1847.3529142 41509130335a6 3 3416 3 CH3CN, v8=1
21.441056 .00000 -4.3089 3 1685.0927142 -4150913033513 2 3413 2 CH3CN, v8=1
21.443080 .00000 -4.3719 3 1704.0831142 -4150913033515 3 3415 3 CH3CN, v8=1
21.450914 .00000 -4.0229 3 1552.9511142 4150913033512 2 3412 2 CH3CN, v8=1
21.453999 .00000 -4.0808 3 1570.5094142 -4150913033514 3 3414 3 CH3CN, v8=1
21.460946 .00000 -3.7582 3 1430.4549142 -4150913033511 2 34a1 2 CH3CN, v8=1
21.460946 .00000 -3.7582 3 1430.4549142 -41509130335a1 2 3411 2 CH3CN, v8=1
21.464180 .00000 -3.8111 3 1446.6612142 -4150913033513 3 34a3 3 CH3CN, v8=1
21.464180 .00000 -3.8111 3 1446.6612142 -41509130335a3 3 3413 3 CH3CN, v8=1
21.470251 .00000 -3.5149 3 1317.7002142 -4150913033510 2 3410 2 CH3CN, v8=1
21.473571 .00000 -3.5630 3 1332.5651142 -4150913033512 3 3412 3 CH3CN, v8=1
21.478758 .00000 -3.2928 3 1214.7212142 -41509130335 9 2 34 9 2 CH3CN, v8=1
21.482179 .00000 -3.3363 3 1228.2462142 -4150913033511 3 3411 3 CH3CN, v8=1
21.486444 .00000 -3.0919 3 1121.5430142 -41509130335-8 2 34 8 2 CH3CN, v8=1
21.486444 .00000 -3.0919 3 1121.5430142 -41509130335 8 2 34-8 2 CH3CN, v8=1
21.490000 .00000 -3.1308 3 1133.7273142 -4150913033510 3 34a0 3 CH3CN, v8=1
21.490000 .00000 -3.1308 3 1133.7273142 -41509130335a0 3 3410 3 CH3CN, v8=1
21.493299 .00000 -2.9125 3 1038.1874142 -41509130335 7 2 34 7 2 CH3CN, v8=1
21.497042 .00000 -2.9469 3 1049.0295142 -41509130335 9 3 34 9 3 CH3CN, v8=1
21.499302 .00000 -2.7544 3 964.6733142 41509130335 6 2 34 6 2 CH3CN, v8=1
21.500807 .00000 -2.2455 3 726.4370142 41509130335 1 3 34-1 3 CH3CN, v8=1
21.503316 .00000 -2.7843 3 974.1718142 41509130335 8 3 34 8 3 CH3CN, v8=1
21.504429 .00000 -2.6176 3 901.0172142 41509130335-5 2 34 5 2 CH3CN, v8=1
21.504429 .00000 -2.6176 3 901.0172142 41509130335 5 2 34-5 2 CH3CN, v8=1
21.508639 .00000 -2.5022 3 847.2331142 41509130335 4 2 34 4 2 CH3CN, v8=1
21.508838 .00000 -2.6432 3 909.1711142 41509130335-7 3 34 7 3 CH3CN, v8=1
21.508838 .00000 -2.6432 3 909.1711142 41509130335 7 3 34-7 3 CH3CN, v8=1
21.511236 .00000 -2.2543 3 730.9812142 41509130335 0 2 34 0 2 CH3CN, v8=1
21.511857 .00000 -2.4080 3 803.3327142 41509130335 3 2 34 3 2 CH3CN, v8=1
21.513647 .00000 -2.5234 3 854.0422142 41509130335 6 3 34 6 3 CH3CN, v8=1
21.513910 .00000 -2.3354 3 769.3245142 41509130335-2 2 34 2 2 CH3CN, v8=1
21.513910 .00000 -2.3354 3 769.3245142 41509130335 2 2 34-2 2 CH3CN, v8=1
21.514325 .00000 -2.2841 3 745.2118142 41509130335 1 2 34 1 2 CH3CN, v8=1
21.517814 .00000 -2.4250 3 808.7984142 41509130335 5 3 34 5 3 CH3CN, v8=1
21.521507 .00000 -2.3479 3 773.4513142 41509130335-4 3 34 4 3 CH3CN, v8=1
21.521507 .00000 -2.3479 3 773.4513142 41509130335 4 3 34-4 3 CH3CN, v8=1
21.525199 .00000 -2.2922 3 748.0131142 41509130335 3 3 34 3 3 CH3CN, v8=1
21.530752 .00000 -2.2580 3 732.5087142 41509130335 2 3 34 2 3 CH3CN, v8=1
21.542003 .00000 -2.2453 3 727.1405142 41509130335-1 3 34 1 3 CH3CN, v8=1
21.608999 -.00001 -7.1643 3 936.9876170 41509130342 2 2 41-4 3 CH3CN, v8=1
21.609000 -.00001 -7.1643 3 936.9876170 41509130342-2 2 41 4 3 CH3CN, v8=1
21.713443 -.00001 -6.7370 3 861.7778162 41509130340 1 2 39 3 3 CH3CN, v8=1
21.758974 .00000 -6.2369 3 798.9437154 41509130338 0 2 37 2 3 CH3CN, v8=1
21.794585 .00000 -6.0200 3 689.7977134 41509130333 2 3 32 0 2 CH3CN, v8=1
21.834325 -.00001 -6.4934 3 665.2878126 41509130331 3 3 30 1 2 CH3CN, v8=1
21.929601 -.00001 -6.8424 3 653.1239118 41509130329 4 3 28-2 2 CH3CN, v8=1
21.929601 -.00001 -6.8424 3 653.1239118 41509130329-4 3 28 2 2 CH3CN, v8=1
21.949633 .00000 -6.9075 3 2902.1917146 4150913033620 2 35b0 2 CH3CN, v8=1
21.949633 .00000 -6.9075 3 2902.1917146 41509130336b0 2 3520 2 CH3CN, v8=1
21.953222 .00000 -7.0082 3 2930.1135146 4150913033622 3 35b2 3 CH3CN, v8=1
21.953222 .00000 -7.0082 3 2930.1135146 41509130336b2 3 3522 3 CH3CN, v8=1
21.966490 .00000 -6.4736 3 2702.7514146 4150913033619 2 3519 2 CH3CN, v8=1
21.970051 .00000 -6.5672 3 2729.3816146 4150913033621 3 3521 3 CH3CN, v8=1
21.982568 .00000 -6.0598 3 2512.8052146 4150913033618 2 3518 2 CH3CN, v8=1
21.986100 .00000 -6.1478 3 2538.1372146 4150913033620 3 3520 3 CH3CN, v8=1
21.997863 .00000 -5.6684 3 2332.3927146 4150913033617 2 35a7 2 CH3CN, v8=1
21.997863 .00000 -5.6684 3 2332.3927146 41509130336a7 2 3517 2 CH3CN, v8=1
22.001364 .00000 -5.7529 3 2356.4189146 4150913033619 3 35a9 3 CH3CN, v8=1
22.001364 .00000 -5.7529 3 2356.4189146 41509130336a9 3 3519 3 CH3CN, v8=1
22.012378 .00000 -5.2977 3 2161.5544146 4150913033616 2 3516 2 CH3CN, v8=1
22.015837 .00000 -5.3742 3 2184.2638146 4150913033618 3 3518 3 CH3CN, v8=1
22.026177 .00000 -4.9487 3 2000.3389146 4150913033615 2 3515 2 CH3CN, v8=1
22.029516 .00000 -5.0198 3 2021.7076146 4150913033617 3 3517 3 CH3CN, v8=1
22.038119 -.00001 -7.1445 3 653.3248110 41509130327 5 3 26 3 2 CH3CN, v8=1
22.041146 .00000 -4.6212 3 1848.9198146 4150913033614 2 35a4 2 CH3CN, v8=1
22.041146 .00000 -4.6212 3 1848.9198146 41509130336a4 2 3514 2 CH3CN, v8=1
22.042397 .00000 -4.6867 3 1868.7842146 4150913033616 3 35a6 3 CH3CN, v8=1
22.042397 .00000 -4.6867 3 1868.7842146 41509130336a6 3 3516 3 CH3CN, v8=1
22.052346 .00000 -4.3137 3 1706.5337146 4150913033613 2 3513 2 CH3CN, v8=1
22.054524 .00000 -4.3752 3 1725.5262146 4150913033615 3 3515 3 CH3CN, v8=1
22.062476 .00000 -4.0284 3 1574.4020146 4150913033612 2 3512 2 CH3CN, v8=1
22.065743 .00000 -4.0849 3 1591.9634146 4150913033614 3 3514 3 CH3CN, v8=1
22.072784 .00000 -3.7643 3 1451.9158146 4150913033611 2 35a1 2 CH3CN, v8=1
22.072784 .00000 -3.7643 3 1451.9158146 41509130336a1 2 3511 2 CH3CN, v8=1
22.076210 .00000 -3.8160 3 1468.1254146 4150913033613 3 35a3 3 CH3CN, v8=1
22.076210 .00000 -3.8160 3 1468.1254146 41509130336a3 3 3513 3 CH3CN, v8=1
22.082340 .00000 -3.5214 3 1339.1705146 4150913033610 2 3510 2 CH3CN, v8=1
22.085867 .00000 -3.5685 3 1354.0387146 4150913033612 3 3512 3 CH3CN, v8=1
22.091077 .00000 -3.2998 3 1236.1999146 41509130336 9 2 35 9 2 CH3CN, v8=1
22.094720 .00000 -3.3424 3 1249.7283146 4150913033611 3 3511 3 CH3CN, v8=1
22.098970 .00000 -3.0994 3 1143.0295146 41509130336-8 2 35 8 2 CH3CN, v8=1
22.098970 .00000 -3.0994 3 1143.0295146 41509130336 8 2 35-8 2 CH3CN, v8=1
22.102765 .00000 -3.1375 3 1155.2173146 4150913033610 3 35a0 3 CH3CN, v8=1
22.102765 .00000 -3.1375 3 1155.2173146 41509130336a0 3 3510 3 CH3CN, v8=1
22.106006 .00000 -2.9203 3 1059.6807146 41509130336 7 2 35 7 2 CH3CN, v8=1
22.110012 .00000 -2.9540 3 1070.5266146 41509130336 9 3 35 9 3 CH3CN, v8=1
22.112163 .00000 -2.7624 3 986.1726146 41509130336 6 2 35 6 2 CH3CN, v8=1
22.113795 .00000 -2.2542 3 747.9378146 41509130336-1 3 35 1 3 CH3CN, v8=1
22.116470 .00000 -2.7918 3 995.6751146 41509130336 8 3 35 8 3 CH3CN, v8=1
22.117417 .00000 -2.6259 3 922.5216146 41509130336-5 2 35 5 2 CH3CN, v8=1
22.117417 .00000 -2.6259 3 922.5216146 41509130336 5 2 35-5 2 CH3CN, v8=1
22.121723 .00000 -2.5106 3 868.7418146 41509130336 4 2 35 4 2 CH3CN, v8=1
22.122162 .00000 -2.6509 3 930.6799146 41509130336-7 3 35 7 3 CH3CN, v8=1
22.122162 .00000 -2.6509 3 930.6799146 41509130336 7 3 35-7 3 CH3CN, v8=1
22.124079 .00000 -2.2632 3 752.4924146 41509130336 0 2 35 0 2 CH3CN, v8=1
22.124999 .00000 -2.4167 3 824.8446146 41509130336 3 2 35 3 2 CH3CN, v8=1
22.127061 .00000 -2.3441 3 790.8384146 41509130336 2 2 35-2 2 CH3CN, v8=1
22.127061 .00000 -2.3441 3 790.8384146 41509130336-2 2 35 2 2 CH3CN, v8=1
22.127125 .00000 -2.5314 3 875.5559146 41509130336 6 3 35 6 3 CH3CN, v8=1
22.127402 .00000 -2.2929 3 766.7261146 41509130336 1 2 35 1 2 CH3CN, v8=1
22.131438 .00000 -2.4333 3 830.3162146 41509130336 5 3 35 5 3 CH3CN, v8=1
22.135282 .00000 -2.3564 3 794.9728146 41509130336-4 3 35 4 3 CH3CN, v8=1
22.135282 .00000 -2.3564 3 794.9728146 41509130336 4 3 35-4 3 CH3CN, v8=1
22.139162 .00000 -2.3009 3 769.5383146 41509130336 3 3 35 3 3 CH3CN, v8=1
22.145017 .00000 -2.2667 3 754.0395146 41509130336 2 3 35 2 3 CH3CN, v8=1
22.156146 .00000 -2.2541 3 748.6825146 41509130336 1 3 35-1 3 CH3CN, v8=1
22.208558 -.00001 -7.1687 3 962.8034174 41509130343-2 2 42 4 3 CH3CN, v8=1
22.208558 -.00001 -7.1687 3 962.8034174 41509130343 2 2 42-4 3 CH3CN, v8=1
22.310122 -.00001 -6.7425 3 886.3718166 41509130341 1 2 40 3 3 CH3CN, v8=1
22.347538 .00000 -6.2558 3 822.3169158 41509130339 0 2 38 2 3 CH3CN, v8=1
22.425816 .00000 -6.0202 3 710.0829138 41509130334 2 3 33 0 2 CH3CN, v8=1
22.456355 -.00001 -6.4668 3 684.3486130 41509130332 3 3 31 1 2 CH3CN, v8=1
22.548377 -.00001 -6.8165 3 670.9564122 41509130330-4 3 29 2 2 CH3CN, v8=1
22.548377 -.00001 -6.8165 3 670.9564122 41509130330 4 3 29-2 2 CH3CN, v8=1
22.558065 .00000 -6.9079 3 2924.1413150 4150913033720 2 36b0 2 CH3CN, v8=1
22.558065 .00000 -6.9079 3 2924.1413150 41509130337b0 2 3620 2 CH3CN, v8=1
22.561809 .00000 -7.0053 3 2952.0667150 4150913033722 3 36b2 3 CH3CN, v8=1
22.561809 .00000 -7.0053 3 2952.0667150 41509130337b2 3 3622 3 CH3CN, v8=1
22.575375 .00000 -6.4749 3 2724.7179150 4150913033719 2 3619 2 CH3CN, v8=1
22.579093 .00000 -6.5661 3 2751.3517150 4150913033721 3 3621 3 CH3CN, v8=1
22.591884 .00000 -6.0629 3 2534.7877150 4150913033718 2 3618 2 CH3CN, v8=1
22.595577 .00000 -6.1484 3 2560.1233150 4150913033720 3 3620 3 CH3CN, v8=1
22.607588 .00000 -5.6731 3 2354.3905150 4150913033717 2 36a7 2 CH3CN, v8=1
22.607588 .00000 -5.6731 3 2354.3905150 41509130337a7 2 3617 2 CH3CN, v8=1
22.611254 .00000 -5.7540 3 2378.4203150 4150913033719 3 36a9 3 CH3CN, v8=1
22.611254 .00000 -5.7540 3 2378.4203150 41509130337a9 3 3619 3 CH3CN, v8=1
22.622493 .00000 -5.3029 3 2183.5668150 4150913033716 2 3616 2 CH3CN, v8=1
22.626119 .00000 -5.3774 3 2206.2797150 4150913033718 3 3618 3 CH3CN, v8=1
22.636662 .00000 -4.9547 3 2022.3651150 4150913033715 2 3615 2 CH3CN, v8=1
22.640170 .00000 -5.0240 3 2043.7371150 4150913033717 3 3617 3 CH3CN, v8=1
22.652074 .00000 -4.6279 3 1870.9610150 4150913033714 2 36a4 2 CH3CN, v8=1
22.652074 .00000 -4.6279 3 1870.9610150 41509130337a4 2 3614 2 CH3CN, v8=1
22.653401 .00000 -4.6920 3 1890.8266150 4150913033716 3 36a6 3 CH3CN, v8=1
22.653401 .00000 -4.6920 3 1890.8266150 41509130337a6 3 3616 3 CH3CN, v8=1
22.655373 -.00001 -7.1153 3 669.9275114 41509130328 5 3 27 3 2 CH3CN, v8=1
22.663526 .00000 -4.3211 3 1728.5861150 4150913033713 2 3613 2 CH3CN, v8=1
22.665865 .00000 -4.3816 3 1747.5807150 4150913033715 3 3615 3 CH3CN, v8=1
22.673925 .00000 -4.0365 3 1596.4645150 4150913033712 2 3612 2 CH3CN, v8=1
22.677382 .00000 -4.0918 3 1614.0292150 4150913033714 3 3614 3 CH3CN, v8=1
22.684508 .00000 -3.7729 3 1473.9886150 4150913033711 2 36a1 2 CH3CN, v8=1
22.684508 .00000 -3.7729 3 1473.9886150 41509130337a1 2 3611 2 CH3CN, v8=1
22.688136 .00000 -3.8235 3 1490.2016150 4150913033713 3 36a3 3 CH3CN, v8=1
22.688136 .00000 -3.8235 3 1490.2016150 41509130337a3 3 3613 3 CH3CN, v8=1
22.694316 .00000 -3.5305 3 1361.2528150 4150913033710 2 3610 2 CH3CN, v8=1
22.698057 .00000 -3.5766 3 1376.1246150 4150913033712 3 3612 3 CH3CN, v8=1
22.703281 .00000 -3.3092 3 1258.2910150 41509130337 9 2 36 9 2 CH3CN, v8=1
22.707155 .00000 -3.3510 3 1271.8230150 4150913033711 3 3611 3 CH3CN, v8=1
22.711380 .00000 -3.1092 3 1165.1284150 41509130337-8 2 36 8 2 CH3CN, v8=1
22.711380 .00000 -3.1092 3 1165.1284150 41509130337 8 2 36-8 2 CH3CN, v8=1
22.715426 .00000 -3.1465 3 1177.3201150 4150913033710 3 36a0 3 CH3CN, v8=1
22.715426 .00000 -3.1465 3 1177.3201150 41509130337a0 3 3610 3 CH3CN, v8=1
22.718595 .00000 -2.9304 3 1081.7867150 41509130337 7 2 36 7 2 CH3CN, v8=1
22.722877 .00000 -2.9634 3 1092.6366150 41509130337 9 3 36 9 3 CH3CN, v8=1
22.724906 .00000 -2.7728 3 1008.2848150 41509130337 6 2 36 6 2 CH3CN, v8=1
22.726671 .00000 -2.2652 3 770.0516150 41509130337 1 3 36-1 3 CH3CN, v8=1
22.729522 .00000 -2.8016 3 1017.7916150 41509130337 8 3 36 8 3 CH3CN, v8=1
22.730285 .00000 -2.6365 3 944.6390150 41509130337-5 2 36 5 2 CH3CN, v8=1
22.730285 .00000 -2.6365 3 944.6390150 41509130337 5 2 36-5 2 CH3CN, v8=1
22.734686 .00000 -2.5214 3 890.8635150 41509130337 4 2 36 4 2 CH3CN, v8=1
22.735382 .00000 -2.6610 3 952.8021150 41509130337-7 3 36 7 3 CH3CN, v8=1
22.735382 .00000 -2.6610 3 952.8021150 41509130337 7 3 36-7 3 CH3CN, v8=1
22.736792 .00000 -2.2742 3 774.6165150 41509130337 0 2 36 0 2 CH3CN, v8=1
22.738017 .00000 -2.4276 3 846.9696150 41509130337 3 2 36 3 2 CH3CN, v8=1
22.740084 .00000 -2.3551 3 812.9654150 41509130337-2 2 36 2 2 CH3CN, v8=1
22.740084 .00000 -2.3551 3 812.9655150 41509130337 2 2 36-2 2 CH3CN, v8=1
22.740346 .00000 -2.3040 3 788.8535150 41509130337 1 2 36 1 2 CH3CN, v8=1
22.740501 .00000 -2.5418 3 897.6830150 41509130337 6 3 36 6 3 CH3CN, v8=1
22.744963 .00000 -2.4439 3 852.4477150 41509130337 5 3 36 5 3 CH3CN, v8=1
22.748961 .00000 -2.3672 3 817.1080150 41509130337-4 3 36 4 3 CH3CN, v8=1
22.748961 .00000 -2.3672 3 817.1080150 41509130337 4 3 36-4 3 CH3CN, v8=1
22.753034 .00000 -2.3119 3 791.6774150 41509130337 3 3 36 3 3 CH3CN, v8=1
22.759188 .00000 -2.2778 3 776.1845150 41509130337 2 3 36 2 3 CH3CN, v8=1
22.770176 .00000 -2.2653 3 770.8386150 41509130337-1 3 36 1 3 CH3CN, v8=1
22.807119 -.00001 -7.1761 3 989.2322178 41509130344 2 2 43-4 3 CH3CN, v8=1
22.807119 -.00001 -7.1761 3 989.2322178 41509130344-2 2 43 4 3 CH3CN, v8=1
22.905571 -.00001 -6.7513 3 911.5794170 41509130342 1 2 41 3 3 CH3CN, v8=1
22.934451 .00000 -6.2788 3 846.3042162 41509130340 0 2 39 2 3 CH3CN, v8=1
23.058303 .00000 -6.0247 3 730.9812142 41509130335 2 3 34 0 2 CH3CN, v8=1
23.079031 -.00001 -6.4517 3 704.0229134 41509130333 3 3 32 1 2 CH3CN, v8=1
23.166392 .00000 -6.9116 3 2946.6994154 4150913033820 2 37b0 2 CH3CN, v8=1
23.166392 .00000 -6.9116 3 2946.6994154 41509130338b0 2 3720 2 CH3CN, v8=1
23.167521 -.00001 -6.7940 3 689.4028126 41509130331 4 3 30-2 2 CH3CN, v8=1
23.167521 -.00001 -6.7940 3 689.4028126 41509130331-4 3 30 2 2 CH3CN, v8=1
23.170296 .00000 -7.0061 3 2974.6285154 4150913033822 3 37b2 3 CH3CN, v8=1
23.170296 .00000 -7.0061 3 2974.6285154 41509130338b2 3 3722 3 CH3CN, v8=1
23.184153 .00000 -6.4798 3 2747.2933154 4150913033819 2 3719 2 CH3CN, v8=1
23.188034 .00000 -6.5684 3 2773.9308154 4150913033821 3 3721 3 CH3CN, v8=1
23.201092 .00000 -6.0690 3 2557.3796154 4150913033818 2 3718 2 CH3CN, v8=1
23.204950 .00000 -6.1521 3 2582.7189154 4150913033820 3 3720 3 CH3CN, v8=1
23.217205 .00000 -5.6793 3 2376.9981154 4150913033817 2 37a7 2 CH3CN, v8=1
23.217205 .00000 -5.6793 3 2376.9981154 41509130338a7 2 3717 2 CH3CN, v8=1
23.221040 .00000 -5.7577 3 2401.0315154 4150913033819 3 37a9 3 CH3CN, v8=1
23.221040 .00000 -5.7577 3 2401.0315154 41509130338a9 3 3719 3 CH3CN, v8=1
23.232497 .00000 -5.3108 3 2206.1893154 4150913033816 2 3716 2 CH3CN, v8=1
23.236297 .00000 -5.3835 3 2228.9058154 4150913033818 3 3718 3 CH3CN, v8=1
23.247035 .00000 -4.9633 3 2045.0017154 4150913033815 2 3715 2 CH3CN, v8=1
23.250718 .00000 -5.0311 3 2066.3773154 4150913033817 3 3717 3 CH3CN, v8=1
23.262895 .00000 -4.6373 3 1893.6130154 4150913033814 2 37a4 2 CH3CN, v8=1
23.262895 .00000 -4.6373 3 1893.6130154 41509130338a4 2 3714 2 CH3CN, v8=1
23.264298 .00000 -4.6999 3 1913.4800154 4150913033816 3 37a6 3 CH3CN, v8=1
23.264298 .00000 -4.6999 3 1913.4800154 41509130338a6 3 3716 3 CH3CN, v8=1
23.272852 -.00001 -7.0848 3 687.1441118 41509130329 5 3 28 3 2 CH3CN, v8=1
23.274592 .00000 -4.3311 3 1751.2496154 4150913033813 2 3713 2 CH3CN, v8=1
23.277102 .00000 -4.3900 3 1770.2466154 4150913033815 3 3715 3 CH3CN, v8=1
23.285260 .00000 -4.0470 3 1619.1384154 4150913033812 2 3712 2 CH3CN, v8=1
23.288914 .00000 -4.1012 3 1636.7065154 4150913033814 3 3714 3 CH3CN, v8=1
23.296115 .00000 -3.7839 3 1496.6731154 4150913033811 2 37a1 2 CH3CN, v8=1
23.296115 .00000 -3.7839 3 1496.6731154 41509130338a1 2 3711 2 CH3CN, v8=1
23.299955 .00000 -3.8336 3 1512.8897154 4150913033813 3 37a3 3 CH3CN, v8=1
23.299955 .00000 -3.8336 3 1512.8897154 41509130338a3 3 3713 3 CH3CN, v8=1
23.306175 .00000 -3.5419 3 1383.9471154 4150913033810 2 3710 2 CH3CN, v8=1
23.310139 .00000 -3.5872 3 1398.8226154 4150913033812 3 3712 3 CH3CN, v8=1
23.315368 .00000 -3.3211 3 1280.9943154 41509130338 9 2 37 9 2 CH3CN, v8=1
23.319484 .00000 -3.3620 3 1294.5302154 4150913033811 3 3711 3 CH3CN, v8=1
23.323670 .00000 -3.1214 3 1187.8398154 41509130338-8 2 37 8 2 CH3CN, v8=1
23.323670 .00000 -3.1214 3 1187.8398154 41509130338 8 2 37-8 2 CH3CN, v8=1
23.327978 .00000 -3.1580 3 1200.0355154 4150913033810 3 37a0 3 CH3CN, v8=1
23.327978 .00000 -3.1580 3 1200.0355154 41509130338a0 3 3710 3 CH3CN, v8=1
23.331064 .00000 -2.9428 3 1104.5053154 41509130338 7 2 37 7 2 CH3CN, v8=1
23.335634 .00000 -2.9753 3 1115.3594154 41509130338 9 3 37 9 3 CH3CN, v8=1
23.337527 .00000 -2.7855 3 1031.0097154 41509130338 6 2 37 6 2 CH3CN, v8=1
23.339433 .00000 -2.2785 3 792.7783154 41509130338-1 3 37 1 3 CH3CN, v8=1
23.342466 .00000 -2.8138 3 1040.5211154 41509130338 8 3 37 8 3 CH3CN, v8=1
23.343030 .00000 -2.6494 3 967.3693154 41509130338-5 2 37 5 2 CH3CN, v8=1
23.343030 .00000 -2.6494 3 967.3693154 41509130338 5 2 37-5 2 CH3CN, v8=1
23.347523 .00000 -2.5344 3 913.5982154 41509130338 4 2 37 4 2 CH3CN, v8=1
23.348497 .00000 -2.6735 3 975.5374154 41509130338-7 3 37 7 3 CH3CN, v8=1
23.348497 .00000 -2.6735 3 975.5374154 41509130338 7 3 37-7 3 CH3CN, v8=1
23.349374 .00000 -2.2875 3 797.3533154 41509130338 0 2 37 0 2 CH3CN, v8=1
23.350908 .00000 -2.4407 3 869.7076154 41509130338 3 2 37 3 2 CH3CN, v8=1
23.352976 .00000 -2.3684 3 835.7055154 41509130338 2 2 37-2 2 CH3CN, v8=1
23.352976 .00000 -2.3684 3 835.7055154 41509130338-2 2 37 2 2 CH3CN, v8=1
23.353154 .00000 -2.3173 3 811.5939154 41509130338 1 2 37 1 2 CH3CN, v8=1
23.353772 .00000 -2.5545 3 920.4235154 41509130338 6 3 37 6 3 CH3CN, v8=1
23.358384 .00000 -2.4568 3 875.1926154 41509130338 5 3 37 5 3 CH3CN, v8=1
23.362540 .00000 -2.3802 3 839.8570154 41509130338-4 3 37 4 3 CH3CN, v8=1
23.362540 .00000 -2.3802 3 839.8570154 41509130338 4 3 37-4 3 CH3CN, v8=1
23.366809 .00000 -2.3250 3 814.4305154 41509130338 3 3 37 3 3 CH3CN, v8=1
23.373259 .00000 -2.2910 3 798.9437154 41509130338 2 3 37 2 3 CH3CN, v8=1
23.384090 .00000 -2.2786 3 793.6088154 41509130338 1 3 37-1 3 CH3CN, v8=1
23.404648 -.00001 -7.1866 3 1016.2740182 41509130345-2 2 44 4 3 CH3CN, v8=1
23.404649 -.00001 -7.1866 3 1016.2740182 41509130345 2 2 44-4 3 CH3CN, v8=1
23.499751 -.00001 -6.7635 3 937.4003174 41509130343 1 2 42 3 3 CH3CN, v8=1
23.519688 .00000 -6.3057 3 870.9052166 41509130341 0 2 40 2 3 CH3CN, v8=1
23.692084 .00000 -6.0334 3 752.4924146 41509130336 2 3 35 0 2 CH3CN, v8=1
23.702391 -.00001 -6.4402 3 724.3107138 41509130334 3 3 33 1 2 CH3CN, v8=1
23.774611 .00000 -6.9184 3 2969.8658158 4150913033920 2 38b0 2 CH3CN, v8=1
23.774611 .00000 -6.9184 3 2969.8658158 41509130339b0 2 3820 2 CH3CN, v8=1
23.778678 .00000 -7.0102 3 2997.7988158 4150913033922 3 38b2 3 CH3CN, v8=1
23.778678 .00000 -7.0102 3 2997.7988158 41509130339b2 3 3822 3 CH3CN, v8=1
23.787057 -.00001 -6.7749 3 708.4629130 41509130332-4 3 31 2 2 CH3CN, v8=1
23.787058 -.00001 -6.7749 3 708.4629130 41509130332 4 3 31-2 2 CH3CN, v8=1
23.792822 .00000 -6.4877 3 2770.4775158 4150913033919 2 3819 2 CH3CN, v8=1
23.796870 .00000 -6.5742 3 2797.1188158 4150913033921 3 3821 3 CH3CN, v8=1
23.810189 .00000 -6.0778 3 2580.5807158 4150913033918 2 3818 2 CH3CN, v8=1
23.814219 .00000 -6.1590 3 2605.9238158 4150913033920 3 3820 3 CH3CN, v8=1
23.826709 .00000 -5.6890 3 2400.2153158 4150913033917 2 38a7 2 CH3CN, v8=1
23.826709 .00000 -5.6890 3 2400.2153158 41509130339a7 2 3817 2 CH3CN, v8=1
23.830719 .00000 -5.7655 3 2424.2526158 4150913033919 3 38a9 3 CH3CN, v8=1
23.830719 .00000 -5.7655 3 2424.2526158 41509130339a9 3 3819 3 CH3CN, v8=1
23.842388 .00000 -5.3213 3 2229.4218158 4150913033916 2 3816 2 CH3CN, v8=1
23.846367 .00000 -5.3925 3 2252.1421158 4150913033918 3 3818 3 CH3CN, v8=1
23.857293 .00000 -4.9746 3 2068.2488158 4150913033915 2 3815 2 CH3CN, v8=1
23.861158 .00000 -5.0409 3 2089.6280158 4150913033917 3 3817 3 CH3CN, v8=1
23.873605 .00000 -4.6492 3 1916.8759158 4150913033914 2 38a4 2 CH3CN, v8=1
23.873605 .00000 -4.6492 3 1916.8759158 41509130339a4 2 3814 2 CH3CN, v8=1
23.875087 .00000 -4.7105 3 1936.7443158 4150913033916 3 38a6 3 CH3CN, v8=1
23.875087 .00000 -4.7105 3 1936.7443158 41509130339a6 3 3816 3 CH3CN, v8=1
23.885544 .00000 -4.3436 3 1774.5242158 4150913033913 2 3813 2 CH3CN, v8=1
23.888232 .00000 -4.4016 3 1793.5237158 4150913033915 3 3815 3 CH3CN, v8=1
23.890575 -.00001 -7.0602 3 704.9747122 41509130330 5 3 29 3 2 CH3CN, v8=1
23.896477 .00000 -4.0599 3 1642.4237158 4150913033912 2 3812 2 CH3CN, v8=1
23.900338 .00000 -4.1131 3 1659.9954158 4150913033914 3 3814 3 CH3CN, v8=1
23.907604 .00000 -3.7973 3 1519.9692158 4150913033911 2 38a1 2 CH3CN, v8=1
23.907604 .00000 -3.7973 3 1519.9692158 41509130339a1 2 3811 2 CH3CN, v8=1
23.911663 .00000 -3.8460 3 1536.1897158 4150913033913 3 38a3 3 CH3CN, v8=1
23.911663 .00000 -3.8460 3 1536.1897158 41509130339a3 3 3813 3 CH3CN, v8=1
23.917913 .00000 -3.5557 3 1407.2533158 4150913033910 2 3810 2 CH3CN, v8=1
23.922110 .00000 -3.6002 3 1422.1327158 4150913033912 3 3812 3 CH3CN, v8=1
23.927333 .00000 -3.3352 3 1304.3096158 41509130339 9 2 38 9 2 CH3CN, v8=1
23.931701 .00000 -3.3754 3 1317.8497158 4150913033911 3 3811 3 CH3CN, v8=1
23.935838 .00000 -3.1358 3 1211.1635158 41509130339-8 2 38 8 2 CH3CN, v8=1
23.935838 .00000 -3.1358 3 1211.1635158 41509130339 8 2 38-8 2 CH3CN, v8=1
23.940420 .00000 -3.1718 3 1223.3635158 4150913033910 3 38a0 3 CH3CN, v8=1
23.940420 .00000 -3.1718 3 1223.3635158 41509130339a0 3 3810 3 CH3CN, v8=1
23.943409 .00000 -2.9575 3 1127.8364158 41509130339 7 2 38 7 2 CH3CN, v8=1
23.948282 .00000 -2.9895 3 1138.6951158 41509130339 9 3 38 9 3 CH3CN, v8=1
23.950024 .00000 -2.8004 3 1054.3472158 41509130339 6 2 38 6 2 CH3CN, v8=1
23.952076 .00000 -2.2939 3 816.1177158 41509130339 1 3 38-1 3 CH3CN, v8=1
23.955300 .00000 -2.8282 3 1063.8636158 41509130339 8 3 38 8 3 CH3CN, v8=1
23.955649 .00000 -2.6644 3 990.7123158 41509130339-5 2 38 5 2 CH3CN, v8=1
23.955649 .00000 -2.6644 3 990.7123158 41509130339 5 2 38-5 2 CH3CN, v8=1
23.960231 .00000 -2.5497 3 936.9457158 41509130339 4 2 38 4 2 CH3CN, v8=1
23.961502 .00000 -2.6882 3 998.8859158 41509130339-7 3 38 7 3 CH3CN, v8=1
23.961502 .00000 -2.6882 3 998.8859158 41509130339 7 3 38-7 3 CH3CN, v8=1
23.961823 .00000 -2.3030 3 820.7027158 41509130339 0 2 38 0 2 CH3CN, v8=1
23.963668 .00000 -2.4561 3 893.0585158 41509130339 3 2 38 3 2 CH3CN, v8=1
23.965734 .00000 -2.3838 3 859.0585158 41509130339-2 2 38 2 2 CH3CN, v8=1
23.965734 .00000 -2.3838 3 859.0585158 41509130339 2 2 38-2 2 CH3CN, v8=1
23.965824 .00000 -2.3328 3 834.9470158 41509130339 1 2 38 1 2 CH3CN, v8=1
23.966936 .00000 -2.5694 3 943.7773158 41509130339 6 3 38 6 3 CH3CN, v8=1
23.971700 .00000 -2.4719 3 898.5510158 41509130339 5 3 38 5 3 CH3CN, v8=1
23.976016 .00000 -2.3955 3 863.2195158 41509130339-4 3 38 4 3 CH3CN, v8=1
23.976016 .00000 -2.3955 3 863.2195158 41509130339 4 3 38-4 3 CH3CN, v8=1
23.980486 .00000 -2.3404 3 837.7973158 41509130339 3 3 38 3 3 CH3CN, v8=1
23.987224 .00000 -2.3065 3 822.3169158 41509130339 2 3 38 2 3 CH3CN, v8=1
23.997883 .00000 -2.2941 3 816.9929158 41509130339-1 3 38 1 3 CH3CN, v8=1
24.001111 -.00001 -7.2000 3 1043.9285186 41509130346 2 2 45-4 3 CH3CN, v8=1
24.001112 -.00001 -7.2000 3 1043.9285186 41509130346-2 2 45 4 3 CH3CN, v8=1
24.092622 -.00001 -6.7789 3 963.8344178 41509130344 1 2 43 3 3 CH3CN, v8=1
24.103225 .00000 -6.3364 3 896.1201170 41509130342 0 2 41 2 3 CH3CN, v8=1
24.326471 -.00001 -6.4321 3 745.2118142 41509130335 3 3 34 1 2 CH3CN, v8=1
24.327193 .00000 -6.0462 3 774.6165150 41509130337 2 3 36 0 2 CH3CN, v8=1
24.382718 .00000 -6.9280 3 2993.6404162 4150913034020 2 39b0 2 CH3CN, v8=1
24.382718 .00000 -6.9280 3 2993.6404162 41509130340b0 2 3920 2 CH3CN, v8=1
24.386954 .00000 -7.0176 3 3021.5775162 4150913034022 3 39b2 3 CH3CN, v8=1
24.386954 .00000 -7.0176 3 3021.5775162 41509130340b2 3 3922 3 CH3CN, v8=1
24.401378 .00000 -6.4984 3 2794.2703162 4150913034019 2 3919 2 CH3CN, v8=1
24.405598 .00000 -6.5827 3 2820.9157162 4150913034021 3 3921 3 CH3CN, v8=1
24.407013 -.00001 -6.7590 3 728.1366134 41509130333 4 3 32-2 2 CH3CN, v8=1
24.407013 -.00001 -6.7590 3 728.1366134 41509130333-4 3 32 2 2 CH3CN, v8=1
24.419172 .00000 -6.0894 3 2604.3909162 4150913034018 2 3918 2 CH3CN, v8=1
24.423378 .00000 -6.1687 3 2629.7381162 4150913034020 3 3920 3 CH3CN, v8=1
24.436099 .00000 -5.7096 3 2424.0420162 4150913034017 2 39a7 2 CH3CN, v8=1
24.436099 .00000 -5.7096 3 2424.0420162 41509130340a7 2 3917 2 CH3CN, v8=1
24.440290 .00000 -5.7760 3 2448.0833162 4150913034019 3 39a9 3 CH3CN, v8=1
24.440290 .00000 -5.7760 3 2448.0833162 41509130340a9 3 3919 3 CH3CN, v8=1
24.452162 .00000 -5.3343 3 2253.2641162 4150913034016 2 3916 2 CH3CN, v8=1
24.456327 .00000 -5.4040 3 2275.9884162 4150913034018 3 3918 3 CH3CN, v8=1
24.467434 .00000 -4.9882 3 2092.1060162 4150913034015 2 3915 2 CH3CN, v8=1
24.471487 .00000 -5.0533 3 2113.4891162 4150913034017 3 3917 3 CH3CN, v8=1
24.484203 .00000 -4.6634 3 1940.7495162 4150913034014 2 39a4 2 CH3CN, v8=1
24.484203 .00000 -4.6634 3 1940.7495162 41509130340a4 2 3914 2 CH3CN, v8=1
24.485764 .00000 -4.7236 3 1960.6194162 4150913034016 3 39a6 3 CH3CN, v8=1
24.485764 .00000 -4.7236 3 1960.6194162 41509130340a6 3 3916 3 CH3CN, v8=1
24.496378 .00000 -4.3583 3 1798.4098162 4150913034013 2 3913 2 CH3CN, v8=1
24.499253 .00000 -4.4151 3 1817.4119162 4150913034015 3 3915 3 CH3CN, v8=1
24.507573 .00000 -4.0751 3 1666.3202162 4150913034012 2 3912 2 CH3CN, v8=1
24.508558 -.00001 -7.0732 3 723.4191126 41509130331 5 3 30 3 2 CH3CN, v8=1
24.511646 .00000 -4.1274 3 1683.8958162 4150913034014 3 3914 3 CH3CN, v8=1
24.518970 .00000 -3.8130 3 1543.8768162 4150913034011 2 39a1 2 CH3CN, v8=1
24.518970 .00000 -3.8130 3 1543.8768162 41509130340a1 2 3911 2 CH3CN, v8=1
24.523258 .00000 -3.8609 3 1560.1013162 4150913034013 3 39a3 3 CH3CN, v8=1
24.523258 .00000 -3.8609 3 1560.1013162 41509130340a3 3 3913 3 CH3CN, v8=1
24.529529 .00000 -3.5717 3 1431.1712162 4150913034010 2 3910 2 CH3CN, v8=1
24.533964 .00000 -3.6154 3 1446.0549162 4150913034012 3 3912 3 CH3CN, v8=1
24.539174 .00000 -3.3515 3 1328.2370162 41509130340 9 2 39 9 2 CH3CN, v8=1
24.543806 .00000 -3.3911 3 1341.7814162 4150913034011 3 3911 3 CH3CN, v8=1
24.547880 .00000 -3.1523 3 1235.0993162 41509130340-8 2 39 8 2 CH3CN, v8=1
24.547880 .00000 -3.1523 3 1235.0993162 41509130340 8 2 39-8 2 CH3CN, v8=1
24.552749 .00000 -3.1879 3 1247.3039162 4150913034010 3 39a0 3 CH3CN, v8=1
24.552749 .00000 -3.1879 3 1247.3039162 41509130340a0 3 3910 3 CH3CN, v8=1
24.555628 .00000 -2.9743 3 1151.7798162 41509130340 7 2 39 7 2 CH3CN, v8=1
24.560816 .00000 -3.0058 3 1162.6434162 41509130340 9 3 39 9 3 CH3CN, v8=1
24.562392 .00000 -2.8174 3 1078.2972162 41509130340 6 2 39 6 2 CH3CN, v8=1
24.564599 .00000 -2.3115 3 840.0698162 41509130340-1 3 39 1 3 CH3CN, v8=1
24.568022 .00000 -2.8449 3 1087.8189162 41509130340 8 3 39 8 3 CH3CN, v8=1
24.568138 .00000 -2.6816 3 1014.6680162 41509130340-5 2 39 5 2 CH3CN, v8=1
24.568138 .00000 -2.6816 3 1014.6680162 41509130340 5 2 39-5 2 CH3CN, v8=1
24.572808 .00000 -2.5671 3 960.9059162 41509130340 4 2 39 4 2 CH3CN, v8=1
24.574138 .00000 -2.3207 3 844.6645162 41509130340 0 2 39 0 2 CH3CN, v8=1
24.574396 .00000 -2.7050 3 1022.8474162 41509130340-7 3 39 7 3 CH3CN, v8=1
24.574396 .00000 -2.7050 3 1022.8474162 41509130340 7 3 39-7 3 CH3CN, v8=1
24.576293 .00000 -2.4736 3 917.0222162 41509130340 3 2 39 3 2 CH3CN, v8=1
24.578354 .00000 -2.3504 3 858.9129162 41509130340 1 2 39 1 2 CH3CN, v8=1
24.578354 .00000 -2.4014 3 883.0242162 41509130340 2 2 39-2 2 CH3CN, v8=1
24.578354 .00000 -2.4014 3 883.0242162 41509130340-2 2 39 2 2 CH3CN, v8=1
24.579989 .00000 -2.5865 3 967.7442162 41509130340 6 3 39 6 3 CH3CN, v8=1
24.584908 .00000 -2.4891 3 922.5227162 41509130340 5 3 39 5 3 CH3CN, v8=1
24.589387 .00000 -2.4129 3 887.1956162 41509130340-4 3 39 4 3 CH3CN, v8=1
24.589387 .00000 -2.4129 3 887.1956162 41509130340 4 3 39-4 3 CH3CN, v8=1
24.594060 .00000 -2.3579 3 861.7778162 41509130340 3 3 39 3 3 CH3CN, v8=1
24.596473 -.00001 -7.2164 3 1072.1957190 41509130347-2 2 46 4 3 CH3CN, v8=1
24.596474 -.00001 -7.2164 3 1072.1957190 41509130347 2 2 46-4 3 CH3CN, v8=1
24.601081 .00000 -2.3240 3 846.3042162 41509130340 2 3 39 2 3 CH3CN, v8=1
24.611554 .00000 -2.3118 3 840.9908162 41509130340 1 3 39-1 3 CH3CN, v8=1
24.684147 -.00001 -6.7976 3 990.8816182 41509130345 1 2 44 3 3 CH3CN, v8=1
24.685045 .00000 -6.3709 3 921.9485174 41509130343 0 2 42 2 3 CH3CN, v8=1
24.951308 -.00001 -6.4272 3 766.7261146 41509130336 3 3 35 1 2 CH3CN, v8=1
24.963659 .00000 -6.0630 3 797.3533154 41509130338 2 3 37 0 2 CH3CN, v8=1
24.990712 .00000 -6.9404 3 3018.0231166 4150913034120 2 40b0 2 CH3CN, v8=1
24.990712 .00000 -6.9404 3 3018.0231166 41509130341b0 2 4020 2 CH3CN, v8=1
24.995121 .00000 -7.0279 3 3045.9645166 4150913034122 3 40b2 3 CH3CN, v8=1
24.995121 .00000 -7.0279 3 3045.9645166 41509130341b2 3 4022 3 CH3CN, v8=1
25.009818 .00000 -6.5116 3 2818.6717166 4150913034119 2 4019 2 CH3CN, v8=1
25.014216 .00000 -6.5944 3 2845.3213166 4150913034121 3 4021 3 CH3CN, v8=1
25.027413 -.00001 -6.7462 3 748.4238138 41509130334-4 3 33 2 2 CH3CN, v8=1
25.027413 -.00001 -6.7462 3 748.4238138 41509130334 4 3 33-2 2 CH3CN, v8=1
25.028039 .00000 -6.1035 3 2628.8101166 4150913034118 2 4018 2 CH3CN, v8=1
25.032426 .00000 -6.1811 3 2654.1614166 4150913034120 3 4020 3 CH3CN, v8=1
25.045370 .00000 -5.7162 3 2448.4781166 4150913034117 2 40a7 2 CH3CN, v8=1
25.045370 .00000 -5.7162 3 2448.4781166 41509130341a7 2 4017 2 CH3CN, v8=1
25.049748 .00000 -5.7892 3 2472.5236166 4150913034119 3 40a9 3 CH3CN, v8=1
25.049748 .00000 -5.7892 3 2472.5236166 41509130341a9 3 4019 3 CH3CN, v8=1
25.061818 .00000 -5.3498 3 2277.7163166 4150913034116 2 4016 2 CH3CN, v8=1
25.066174 .00000 -5.4182 3 2300.4448166 4150913034118 3 4018 3 CH3CN, v8=1
25.077455 .00000 -5.0043 3 2116.5735166 4150913034115 2 4015 2 CH3CN, v8=1
25.081702 .00000 -5.0682 3 2137.9606166 4150913034117 3 4017 3 CH3CN, v8=1
25.094684 .00000 -4.6800 3 1965.2337166 4150913034114 2 40a4 2 CH3CN, v8=1
25.094684 .00000 -4.6800 3 1965.2337166 41509130341a4 2 4014 2 CH3CN, v8=1
25.096327 .00000 -4.7391 3 1985.1051166 4150913034116 3 40a6 3 CH3CN, v8=1
25.096327 .00000 -4.7391 3 1985.1051166 41509130341a6 3 4016 3 CH3CN, v8=1
25.107091 .00000 -4.3753 3 1822.9061166 4150913034113 2 4013 2 CH3CN, v8=1
25.110164 .00000 -4.4311 3 1841.9112166 4150913034115 3 4015 3 CH3CN, v8=1
25.118545 .00000 -4.0926 3 1690.8277166 4150913034112 2 4012 2 CH3CN, v8=1
25.122841 .00000 -4.1440 3 1708.4074166 4150913034114 3 4014 3 CH3CN, v8=1
25.126822 -.00001 -7.0210 3 742.4772130 41509130332 5 3 31 3 2 CH3CN, v8=1
25.130212 .00000 -3.8308 3 1568.3958166 4150913034111 2 40a1 2 CH3CN, v8=1
25.130212 .00000 -3.8308 3 1568.3958166 41509130341a1 2 4011 2 CH3CN, v8=1
25.134737 .00000 -3.8780 3 1584.6246166 4150913034113 3 40a3 3 CH3CN, v8=1
25.134737 .00000 -3.8780 3 1584.6246166 41509130341a3 3 4013 3 CH3CN, v8=1
25.141018 .00000 -3.5899 3 1455.7007166 4150913034110 2 4010 2 CH3CN, v8=1
25.145693 .00000 -3.6330 3 1470.5888166 4150913034112 3 4012 3 CH3CN, v8=1
25.150888 .00000 -3.3700 3 1352.7761166 41509130341 9 2 40 9 2 CH3CN, v8=1
25.155794 .00000 -3.4090 3 1366.3252166 4150913034111 3 4011 3 CH3CN, v8=1
25.159794 .00000 -3.1711 3 1259.6472166 41509130341-8 2 40 8 2 CH3CN, v8=1
25.159794 .00000 -3.1711 3 1259.6472166 41509130341 8 2 40-8 2 CH3CN, v8=1
25.164962 .00000 -3.2061 3 1271.8566166 4150913034110 3 40a0 3 CH3CN, v8=1
25.164962 .00000 -3.2061 3 1271.8566166 41509130341a0 3 4010 3 CH3CN, v8=1
25.167716 .00000 -2.9933 3 1176.3354166 41509130341 7 2 40 7 2 CH3CN, v8=1
25.173234 .00000 -3.0243 3 1187.2042166 41509130341 9 3 40 9 3 CH3CN, v8=1
25.174628 .00000 -2.8366 3 1102.8596166 41509130341 6 2 40 6 2 CH3CN, v8=1
25.176997 .00000 -2.3312 3 864.6344166 41509130341 1 3 40-1 3 CH3CN, v8=1
25.180493 .00000 -2.7010 3 1039.2361166 41509130341-5 2 40 5 2 CH3CN, v8=1
25.180493 .00000 -2.7010 3 1039.2361166 41509130341 5 2 40-5 2 CH3CN, v8=1
25.180628 .00000 -2.8637 3 1112.3869166 41509130341 8 3 40 8 3 CH3CN, v8=1
25.185250 .00000 -2.5865 3 985.4787166 41509130341 4 2 40 4 2 CH3CN, v8=1
25.186317 .00000 -2.3404 3 869.2386166 41509130341 0 2 40 0 2 CH3CN, v8=1
25.187175 .00000 -2.7241 3 1047.4218166 41509130341-7 3 40 7 3 CH3CN, v8=1
25.187175 .00000 -2.7241 3 1047.4218166 41509130341 7 3 40-7 3 CH3CN, v8=1
25.188781 .00000 -2.4932 3 941.5985166 41509130341 3 2 40 3 2 CH3CN, v8=1
25.190700 -.00001 -7.2356 3 1101.0755194 41509130348 2 2 47-4 3 CH3CN, v8=1
25.190700 -.00001 -7.2356 3 1101.0755194 41509130348-2 2 47 4 3 CH3CN, v8=1
25.190739 .00000 -2.3701 3 883.4912166 41509130341 1 2 40 1 2 CH3CN, v8=1
25.190833 .00000 -2.4210 3 907.6026166 41509130341-2 2 40 2 2 CH3CN, v8=1
25.190833 .00000 -2.4210 3 907.6026166 41509130341 2 2 40-2 2 CH3CN, v8=1
25.192929 .00000 -2.6057 3 992.3242166 41509130341 6 3 40 6 3 CH3CN, v8=1
25.198004 .00000 -2.5084 3 947.1076166 41509130341 5 3 40 5 3 CH3CN, v8=1
25.202648 .00000 -2.4324 3 911.7850166 41509130341-4 3 40 4 3 CH3CN, v8=1
25.202648 .00000 -2.4324 3 911.7850166 41509130341 4 3 40-4 3 CH3CN, v8=1
25.207528 .00000 -2.3775 3 886.3718166 41509130341 3 3 40 3 3 CH3CN, v8=1
25.214822 .00000 -2.3437 3 870.9052166 41509130341 2 3 40 2 3 CH3CN, v8=1
25.225099 .00000 -2.3316 3 865.6023166 41509130341-1 3 40 1 3 CH3CN, v8=1
25.265133 .00000 -6.4089 3 948.3905178 41509130344 0 2 43 2 3 CH3CN, v8=1
25.274289 -.00001 -6.8194 3 1018.5419186 41509130346 1 2 45 3 3 CH3CN, v8=1
25.576940 -.00001 -6.4257 3 788.8535150 41509130337 3 3 36 1 2 CH3CN, v8=1
25.598588 .00000 -6.9554 3 3043.0138170 4150913034220 2 41b0 2 CH3CN, v8=1
25.598588 .00000 -6.9554 3 3043.0138170 41509130342b0 2 4120 2 CH3CN, v8=1
25.601509 .00000 -6.0838 3 820.7027158 41509130339 2 3 38 0 2 CH3CN, v8=1
25.603176 .00000 -7.0410 3 3070.9596170 4150913034222 3 41b2 3 CH3CN, v8=1
25.603176 .00000 -7.0410 3 3070.9596170 41509130342b2 3 4122 3 CH3CN, v8=1
25.618140 .00000 -6.5273 3 2843.6815170 4150913034219 2 4119 2 CH3CN, v8=1
25.622720 .00000 -6.6097 3 2870.3355170 4150913034221 3 4121 3 CH3CN, v8=1
25.636786 .00000 -6.1200 3 2653.8381170 4150913034218 2 4118 2 CH3CN, v8=1
25.641360 .00000 -6.1962 3 2679.1939170 4150913034220 3 4120 3 CH3CN, v8=1
25.648286 -.00001 -6.7365 3 769.3245142 41509130335 4 3 34-2 2 CH3CN, v8=1
25.648286 -.00001 -6.7365 3 769.3245142 41509130335-4 3 34 2 2 CH3CN, v8=1
25.654521 .00000 -5.7334 3 2473.5235170 4150913034217 2 41a7 2 CH3CN, v8=1
25.654521 .00000 -5.7334 3 2473.5235170 41509130342a7 2 4117 2 CH3CN, v8=1
25.659091 .00000 -5.8054 3 2497.5733170 4150913034219 3 41a9 3 CH3CN, v8=1
25.659091 .00000 -5.8054 3 2497.5733170 41509130342a9 3 4119 3 CH3CN, v8=1
25.671351 .00000 -5.3676 3 2302.7781170 4150913034216 2 4116 2 CH3CN, v8=1
25.675905 .00000 -5.4348 3 2325.5109170 4150913034218 3 4118 3 CH3CN, v8=1
25.687352 .00000 -5.0227 3 2141.6509170 4150913034215 2 4115 2 CH3CN, v8=1
25.691800 .00000 -5.0855 3 2163.0423170 4150913034217 3 4117 3 CH3CN, v8=1
25.705048 .00000 -4.6989 3 1990.3284170 4150913034214 2 41a4 2 CH3CN, v8=1
25.705048 .00000 -4.6989 3 1990.3284170 41509130342a4 2 4114 2 CH3CN, v8=1
25.706772 .00000 -4.7570 3 2010.2015170 4150913034216 3 41a6 3 CH3CN, v8=1
25.706772 .00000 -4.7570 3 2010.2015170 41509130342a6 3 4116 3 CH3CN, v8=1
25.717681 .00000 -4.3946 3 1848.0132170 4150913034213 2 4113 2 CH3CN, v8=1
25.720963 .00000 -4.4495 3 1867.0213170 4150913034215 3 4115 3 CH3CN, v8=1
25.729389 .00000 -4.1123 3 1715.9463170 4150913034212 2 4112 2 CH3CN, v8=1
25.733916 .00000 -4.1630 3 1733.5303170 4150913034214 3 4114 3 CH3CN, v8=1
25.741324 .00000 -3.8508 3 1593.5260170 -4150913034211 2 41a1 2 CH3CN, v8=1
25.741324 .00000 -3.8508 3 1593.5260170 -41509130342a1 2 4111 2 CH3CN, v8=1
25.745384 -.00001 -7.0051 3 762.1489134 41509130333 5 3 32 3 2 CH3CN, v8=1
25.746096 .00000 -3.8973 3 1609.7593170 -4150913034213 3 41a3 3 CH3CN, v8=1
25.746096 .00000 -3.8973 3 1609.7593170 -41509130342a3 3 4113 3 CH3CN, v8=1
25.752377 .00000 -3.6103 3 1480.8418170 -4150913034210 2 4110 2 CH3CN, v8=1
25.757245 .00000 -3.6530 3 1495.7345170 -4150913034212 3 4112 3 CH3CN, v8=1
25.762470 .00000 -3.3907 3 1377.9270170 -41509130342 9 2 41 9 2 CH3CN, v8=1
25.767662 .00000 -3.4291 3 1391.4810170 -4150913034211 3 4111 3 CH3CN, v8=1
25.771575 .00000 -3.1920 3 1284.8070170 -41509130342-8 2 41 8 2 CH3CN, v8=1
25.771575 .00000 -3.1920 3 1284.8070170 -41509130342 8 2 41-8 2 CH3CN, v8=1
25.777052 .00000 -3.2265 3 1297.0216170 -4150913034210 3 41a0 3 CH3CN, v8=1
25.777052 .00000 -3.2265 3 1297.0216170 -41509130342a0 3 4110 3 CH3CN, v8=1
25.779669 .00000 -3.0144 3 1201.5031170 -41509130342 7 2 41 7 2 CH3CN, v8=1
25.783757 -.00001 -7.2576 3 1130.5677198 41509130349-2 2 48 4 3 CH3CN, v8=1
25.783757 -.00001 -7.2576 3 1130.5677198 41509130349 2 2 48-4 3 CH3CN, v8=1
25.785533 .00000 -3.0450 3 1212.3774170 41509130342 9 3 41 9 3 CH3CN, v8=1
25.786729 .00000 -2.8579 3 1128.0342170 -41509130342 6 2 41 6 2 CH3CN, v8=1
25.789269 .00000 -2.3529 3 889.8114170 41509130342-1 3 41 1 3 CH3CN, v8=1
25.792710 .00000 -2.7224 3 1064.4166170 -41509130342-5 2 41 5 2 CH3CN, v8=1
25.792710 .00000 -2.7224 3 1064.4166170 -41509130342 5 2 41-5 2 CH3CN, v8=1
25.793115 .00000 -2.8846 3 1137.5675170 -41509130342 8 3 41 8 3 CH3CN, v8=1
25.797552 .00000 -2.6081 3 1010.6640170 -41509130342 4 2 41 4 2 CH3CN, v8=1
25.798360 .00000 -2.3621 3 894.4249170 41509130342 0 2 41 0 2 CH3CN, v8=1
25.799836 .00000 -2.7452 3 1072.6090170 41509130342-7 3 41 7 3 CH3CN, v8=1
25.799836 .00000 -2.7452 3 1072.6090170 41509130342 7 3 41-7 3 CH3CN, v8=1
25.801126 .00000 -2.5149 3 966.7873170 -41509130342 3 2 41 3 2 CH3CN, v8=1
25.802977 .00000 -2.3919 3 908.6820170 41509130342 1 2 41 1 2 CH3CN, v8=1
25.803173 -.00001 -2.4428 3 932.7934170 -41509130342 2 2 41-2 2 CH3CN, v8=1
25.803173 -.00001 -2.4428 3 932.7934170 -41509130342-2 2 41 2 2 CH3CN, v8=1
25.805752 .00000 -2.6271 3 1017.5171170 -41509130342 6 3 41 6 3 CH3CN, v8=1
25.810985 .00000 -2.5299 3 972.3056170 41509130342 5 3 41 5 3 CH3CN, v8=1
25.815801 .00000 -2.4540 3 936.9876170 -41509130342-4 3 41 4 3 CH3CN, v8=1
25.815801 .00000 -2.4540 3 936.9876170 -41509130342 4 3 41-4 3 CH3CN, v8=1
25.820888 .00000 -2.3992 3 911.5794170 -41509130342 3 3 41 3 3 CH3CN, v8=1
25.828444 .00000 -2.3655 3 896.1201170 41509130342 2 3 41 2 3 CH3CN, v8=1
25.838515 .00000 -2.3534 3 890.8274170 41509130342 1 3 41-1 3 CH3CN, v8=1
25.843475 .00000 -6.4504 3 975.4458182 41509130345 0 2 44 2 3 CH3CN, v8=1
25.863015 -.00001 -6.8445 3 1046.8151190 41509130347 1 2 46 3 3 CH3CN, v8=1
26.203404 -.00001 -6.4274 3 811.5939154 41509130338 3 3 37 1 2 CH3CN, v8=1
26.206345 .00000 -6.9729 3 3068.6124174 4150913034320 2 42b0 2 CH3CN, v8=1
26.206345 .00000 -6.9729 3 3068.6124174 41509130343b0 2 4220 2 CH3CN, v8=1
26.211116 .00000 -7.0569 3 3096.5627174 4150913034322 3 42b2 3 CH3CN, v8=1
26.211116 .00000 -7.0569 3 3096.5627174 41509130343b2 3 4222 3 CH3CN, v8=1
26.226341 .00000 -6.5456 3 2869.2996174 4150913034319 2 4219 2 CH3CN, v8=1
26.231109 .00000 -6.6255 3 2895.9582174 4150913034321 3 4221 3 CH3CN, v8=1
26.240767 .00000 -6.1084 3 844.6645162 41509130340 2 3 39 0 2 CH3CN, v8=1
26.245410 .00000 -6.1390 3 2679.4749174 4150913034318 2 4218 2 CH3CN, v8=1
26.250178 .00000 -6.2138 3 2704.8352174 4150913034320 3 4220 3 CH3CN, v8=1
26.263541 -.00001 -5.7530 3 2499.1780174 -4150913034317 2 42a7 2 CH3CN, v8=1
26.263541 -.00001 -5.7530 3 2499.1780174 -41509130343a7 2 4217 2 CH3CN, v8=1
26.268310 -.00001 -5.8234 3 2523.2324174 -4150913034319 3 42a9 3 CH3CN, v8=1
26.268310 -.00001 -5.8234 3 2523.2324174 -41509130343a9 3 4219 3 CH3CN, v8=1
26.269658 -.00001 -6.7298 3 790.8384146 41509130336-4 3 35 2 2 CH3CN, v8=1
26.269658 -.00001 -6.7298 3 790.8384146 41509130336 4 3 35-2 2 CH3CN, v8=1
26.280759 .00000 -5.3877 3 2328.4495174 -4150913034316 2 4216 2 CH3CN, v8=1
26.285517 .00000 -5.4539 3 2351.1868174 4150913034318 3 4218 3 CH3CN, v8=1
26.297125 .00000 -5.0433 3 2167.3383174 -4150913034315 2 4215 2 CH3CN, v8=1
26.301777 -.00001 -5.1051 3 2188.7341174 -4150913034317 3 4217 3 CH3CN, v8=1
26.315289 .00000 -4.7199 3 2016.0335174 -4150913034314 2 42a4 2 CH3CN, v8=1
26.315289 .00000 -4.7199 3 2016.0335174 -41509130343a4 2 4214 2 CH3CN, v8=1
26.317097 .00000 -4.7772 3 2035.9082174 4150913034316 3 42a6 3 CH3CN, v8=1
26.317097 .00000 -4.7772 3 2035.9082174 41509130343a6 3 4216 3 CH3CN, v8=1
26.328149 .00000 -4.4161 3 1873.7309174 -4150913034313 2 4213 2 CH3CN, v8=1
26.331649 .00000 -4.4702 3 1892.7423174 -4150913034315 3 4215 3 CH3CN, v8=1
26.340104 .00000 -4.1342 3 1741.6757174 4150913034312 2 4212 2 CH3CN, v8=1
26.344870 .00000 -4.1841 3 1759.2642174 -4150913034314 3 4214 3 CH3CN, v8=1
26.352306 .00000 -3.8731 3 1619.2673174 -4150913034311 2 42a1 2 CH3CN, v8=1
26.352306 .00000 -3.8731 3 1619.2673174 -41509130343a1 2 4211 2 CH3CN, v8=1
26.357336 .00000 -3.9189 3 1635.5054174 -4150913034313 3 42a3 3 CH3CN, v8=1
26.357336 .00000 -3.9189 3 1635.5054174 -41509130343a3 3 4213 3 CH3CN, v8=1
26.363605 .00000 -3.6327 3 1506.5941174 4150913034310 2 4210 2 CH3CN, v8=1
26.364266 -.00001 -6.9928 3 782.4341138 41509130334 5 3 33 3 2 CH3CN, v8=1
26.369656 .00000 -3.6920 3 1521.4918174 -4150913034312 3 4212 3 CH3CN, v8=1
26.373917 .00000 -3.4133 3 1403.6895174 -41509130343 9 2 42 9 2 CH3CN, v8=1
26.375612 -.00001 -7.2824 3 1160.6721202 41509130350 2 2 49-4 3 CH3CN, v8=1
26.375612 -.00001 -7.2824 3 1160.6721202 41509130350-2 2 49 4 3 CH3CN, v8=1
26.379407 .00000 -3.4513 3 1417.2487174 -4150913034311 3 4211 3 CH3CN, v8=1
26.383223 .00000 -3.2150 3 1310.5786174 -41509130343-8 2 42 8 2 CH3CN, v8=1
26.383223 .00000 -3.2150 3 1310.5786174 -41509130343 8 2 42-8 2 CH3CN, v8=1
26.389026 .00000 -3.2490 3 1322.7986174 4150913034310 3 42a0 3 CH3CN, v8=1
26.389026 .00000 -3.2490 3 1322.7986174 41509130343a0 3 4210 3 CH3CN, v8=1
26.391491 .00000 -3.0376 3 1227.2828174 41509130343 7 2 42 7 2 CH3CN, v8=1
26.397710 .00000 -3.0678 3 1238.1629174 41509130343 9 3 42 9 3 CH3CN, v8=1
26.398694 .00000 -2.8812 3 1153.8210174 41509130343 6 2 42 6 2 CH3CN, v8=1
26.401410 .00000 -2.3766 3 915.6006174 41509130343 1 3 42-1 3 CH3CN, v8=1
26.404792 .00000 -2.7459 3 1090.2093174 41509130343-5 2 42 5 2 CH3CN, v8=1
26.404792 .00000 -2.7459 3 1090.2093174 41509130343 5 2 42-5 2 CH3CN, v8=1
26.405482 .00000 -2.9076 3 1163.3606174 41509130343 8 3 42 8 3 CH3CN, v8=1
26.409715 .00000 -2.6317 3 1036.4615174 41509130343 4 2 42 4 2 CH3CN, v8=1
26.410264 .00000 -2.3859 3 920.2233174 41509130343 0 2 42 0 2 CH3CN, v8=1
26.412376 .00000 -2.7685 3 1098.4089174 41509130343-7 3 42 7 3 CH3CN, v8=1
26.412376 .00000 -2.7685 3 1098.4089174 41509130343 7 3 42-7 3 CH3CN, v8=1
26.413330 .00000 -2.5385 3 992.5884174 41509130343 3 2 42 3 2 CH3CN, v8=1
26.415067 .00000 -2.4156 3 934.4849174 41509130343 1 2 42 1 2 CH3CN, v8=1
26.415357 .00000 -2.4665 3 958.5966174 41509130343-2 2 42 2 2 CH3CN, v8=1
26.415357 .00000 -2.4665 3 958.5966174 41509130343 2 2 42-2 2 CH3CN, v8=1
26.418456 .00000 -2.6504 3 1043.3229174 41509130343 6 3 42 6 3 CH3CN, v8=1
26.420064 .00000 -6.4953 3 1003.1143186 41509130346 0 2 45 2 3 CH3CN, v8=1
26.423849 .00000 -2.5535 3 998.1166174 41509130343 5 3 42 5 3 CH3CN, v8=1
26.428833 .00000 -2.4776 3 962.8034174 41509130343-4 3 42 4 3 CH3CN, v8=1
26.428833 .00000 -2.4776 3 962.8034174 41509130343 4 3 42-4 3 CH3CN, v8=1
26.434133 .00000 -2.4229 3 937.4003174 41509130343 3 3 42 3 3 CH3CN, v8=1
26.441942 .00000 -2.3892 3 921.9485174 41509130343 2 3 42 2 3 CH3CN, v8=1
26.450289 -.00001 -6.8724 3 1075.7010194 41509130348 1 2 47 3 3 CH3CN, v8=1
26.451798 .00000 -2.3772 3 916.6659174 41509130343-1 3 42 1 3 CH3CN, v8=1
26.813979 .00000 -6.9928 3 3094.8187178 4150913034420 2 43b0 2 CH3CN, v8=1
26.813979 .00000 -6.9928 3 3094.8187178 41509130344b0 2 4320 2 CH3CN, v8=1
26.818938 .00000 -7.0753 3 3122.7739178 4150913034422 3 43b2 3 CH3CN, v8=1
26.818938 .00000 -7.0753 3 3122.7739178 41509130344b2 3 4322 3 CH3CN, v8=1
26.830735 -.00001 -6.4322 3 834.9470158 41509130339 3 3 38 1 2 CH3CN, v8=1
26.834418 .00000 -6.5664 3 2895.5260178 4150913034419 2 4319 2 CH3CN, v8=1
26.839379 .00000 -6.6443 3 2922.1893178 4150913034421 3 4321 3 CH3CN, v8=1
26.853909 .00000 -6.1602 3 2705.7203178 4150913034418 2 4318 2 CH3CN, v8=1
26.858875 .00000 -6.2339 3 2731.0854178 4150913034420 3 4320 3 CH3CN, v8=1
26.872446 -.00001 -5.7748 3 2525.4416178 -4150913034417 2 43a7 2 CH3CN, v8=1
26.872446 -.00001 -5.7748 3 2525.4416178 -41509130344a7 2 4317 2 CH3CN, v8=1
26.877419 .00000 -5.8523 3 2549.5007178 4150913034419 3 43a9 3 CH3CN, v8=1
26.877419 .00000 -5.8523 3 2549.5007178 41509130344a9 3 4319 3 CH3CN, v8=1
26.881451 .00000 -6.1366 3 869.2386166 41509130341 2 3 40 0 2 CH3CN, v8=1
26.890038 .00000 -5.4101 3 2354.7302178 -4150913034416 2 4316 2 CH3CN, v8=1
26.891558 -.00001 -6.7261 3 812.9655150 41509130337 4 3 36-2 2 CH3CN, v8=1
26.891558 -.00001 -6.7261 3 812.9654150 41509130337-4 3 36 2 2 CH3CN, v8=1
26.895005 -.00001 -5.4752 3 2377.4724178 -4150913034418 3 4318 3 CH3CN, v8=1
26.906765 .00000 -5.0661 3 2193.6354178 -4150913034415 2 4315 2 CH3CN, v8=1
26.911638 .00000 -5.1270 3 2215.0359178 -4150913034417 3 4317 3 CH3CN, v8=1
26.925410 .00000 -4.7432 3 2042.3488178 -4150913034414 2 43a4 2 CH3CN, v8=1
26.925410 .00000 -4.7432 3 2042.3488178 -41509130344a4 2 4314 2 CH3CN, v8=1
26.927298 .00000 -4.7996 3 2062.2253178 4150913034416 3 43a6 3 CH3CN, v8=1
26.927298 .00000 -4.7996 3 2062.2253178 41509130344a6 3 4316 3 CH3CN, v8=1
26.938484 .00000 -4.4397 3 1900.0591178 -4150913034413 2 4313 2 CH3CN, v8=1
26.942227 .00000 -4.4931 3 1919.0740178 4150913034415 3 4315 3 CH3CN, v8=1
26.950685 .00000 -4.1581 3 1768.0158178 4150913034412 2 4312 2 CH3CN, v8=1
26.955697 .00000 -4.2074 3 1785.6091178 -4150913034414 3 4314 3 CH3CN, v8=1
26.963155 .00000 -3.8973 3 1645.6197178 -4150913034411 2 43a1 2 CH3CN, v8=1
26.963155 .00000 -3.8973 3 1645.6197178 -41509130344a1 2 4311 2 CH3CN, v8=1
26.966232 -.00001 -7.3100 3 1191.3887206 41509130351-2 2 50 4 3 CH3CN, v8=1
26.966232 -.00001 -7.3100 3 1191.3887206 41509130351 2 2 50-4 3 CH3CN, v8=1
26.968447 .00000 -3.9425 3 1661.8628178 -4150913034413 3 43a3 3 CH3CN, v8=1
26.968447 .00000 -3.9425 3 1661.8628178 -41509130344a3 3 4313 3 CH3CN, v8=1
26.974697 .00000 -3.6573 3 1532.9577178 -4150913034410 2 4310 2 CH3CN, v8=1
26.979699 .00000 -3.7059 3 1547.8614178 -4150913034412 3 4312 3 CH3CN, v8=1
26.983487 -.00001 -6.9834 3 803.3327142 41509130335 5 3 34 3 2 CH3CN, v8=1
26.985233 .00000 -3.4382 3 1430.0634178 -41509130344 9 2 43 9 2 CH3CN, v8=1
26.991030 .00000 -3.4757 3 1443.6281178 -4150913034411 3 4311 3 CH3CN, v8=1
26.994731 .00000 -3.2399 3 1336.9618178 -41509130344-8 2 43 8 2 CH3CN, v8=1
26.994731 .00000 -3.2399 3 1336.9618178 -41509130344 8 2 43-8 2 CH3CN, v8=1
26.994893 .00000 -6.5434 3 1031.3959190 41509130347 0 2 46 2 3 CH3CN, v8=1
27.000870 .00000 -3.2736 3 1349.1877178 -4150913034410 3 43a0 3 CH3CN, v8=1
27.000870 .00000 -3.2736 3 1349.1877178 -41509130344a0 3 4310 3 CH3CN, v8=1
27.003171 .00000 -3.0628 3 1253.6743178 -41509130344 7 2 43 7 2 CH3CN, v8=1
27.009761 .00000 -3.0926 3 1264.5607178 -41509130344 9 3 43 9 3 CH3CN, v8=1
27.010518 .00000 -2.9066 3 1180.2197178 -41509130344 6 2 43 6 2 CH3CN, v8=1
27.013418 .00000 -2.4023 3 942.0021178 -41509130344-1 3 43 1 3 CH3CN, v8=1
27.016729 .00000 -2.7714 3 1116.6141178 -41509130344-5 2 43 5 2 CH3CN, v8=1
27.016729 .00000 -2.7714 3 1116.6141178 -41509130344 5 2 43-5 2 CH3CN, v8=1
27.017724 .00000 -2.9326 3 1189.7661178 -41509130344 8 3 43 8 3 CH3CN, v8=1
27.021730 .00000 -2.6573 3 1062.8712178 -41509130344 4 2 43 4 2 CH3CN, v8=1
27.022028 .00000 -2.4117 3 946.6336178 -41509130344 0 2 43 0 2 CH3CN, v8=1
27.024792 .00000 -2.7936 3 1124.8212178 -41509130344-7 3 43 7 3 CH3CN, v8=1
27.024792 .00000 -2.7936 3 1124.8212178 -41509130344 7 3 43-7 3 CH3CN, v8=1
27.025386 .00000 -2.5642 3 1019.0017178 -41509130344 3 2 43 3 2 CH3CN, v8=1
27.027004 .00000 -2.4414 3 960.9000178 -41509130344 1 2 43 1 2 CH3CN, v8=1
27.027394 .00000 -2.4922 3 985.0120178 -41509130344 2 2 43-2 2 CH3CN, v8=1
27.027394 .00000 -2.4922 3 985.0120178 -41509130344-2 2 43 2 2 CH3CN, v8=1
27.031038 .00000 -2.6758 3 1069.7414178 -41509130344 6 3 43 6 3 CH3CN, v8=1
27.036080 -.00001 -6.9035 3 1105.1995198 41509130349 1 2 48 3 3 CH3CN, v8=1
27.036592 .00000 -2.5789 3 1024.5404178 -41509130344 5 3 43 5 3 CH3CN, v8=1
27.041748 .00000 -2.5032 3 989.2322178 -41509130344 4 3 43-4 3 CH3CN, v8=1
27.041748 .00000 -2.5032 3 989.2322178 -41509130344-4 3 43 4 3 CH3CN, v8=1
27.047261 .00000 -2.4485 3 963.8344178 -41509130344 3 3 43 3 3 CH3CN, v8=1
27.055311 .00000 -2.4150 3 948.3905178 -41509130344 2 3 43 2 3 CH3CN, v8=1
27.064947 .00000 -2.4030 3 943.1177178 -41509130344 1 3 43-1 3 CH3CN, v8=1
27.421488 .00000 -7.0152 3 3121.6327182 4150913034520 2 44b0 2 CH3CN, v8=1
27.421488 .00000 -7.0152 3 3121.6327182 41509130345b0 2 4420 2 CH3CN, v8=1
27.426640 .00000 -7.0963 3 3149.5928182 4150913034522 3 44b2 3 CH3CN, v8=1
27.426640 .00000 -7.0963 3 3149.5928182 41509130345b2 3 4422 3 CH3CN, v8=1
27.442368 .00000 -6.5895 3 2922.3604182 4150913034519 2 4419 2 CH3CN, v8=1
27.447527 .00000 -6.6660 3 2949.0287182 4150913034521 3 4421 3 CH3CN, v8=1
27.458970 -.00001 -6.4402 3 858.9129162 41509130340 3 3 39 1 2 CH3CN, v8=1
27.462279 .00000 -6.1837 3 2732.5742182 4150913034518 2 4418 2 CH3CN, v8=1
27.467449 .00000 -6.2563 3 2757.9443182 4150913034520 3 4420 3 CH3CN, v8=1
27.481217 .00000 -5.7996 3 2552.3140182 4150913034517 2 44a7 2 CH3CN, v8=1
27.481217 .00000 -5.7996 3 2552.3140182 41509130345a7 2 4417 2 CH3CN, v8=1
27.486400 .00000 -5.8706 3 2576.3781182 4150913034519 3 44a9 3 CH3CN, v8=1
27.486400 .00000 -5.8706 3 2576.3781182 41509130345a9 3 4419 3 CH3CN, v8=1
27.499189 -.00001 -5.4346 3 2381.6203182 -4150913034516 2 4416 2 CH3CN, v8=1
27.504373 -.00001 -5.4988 3 2404.3674182 -4150913034518 3 4418 3 CH3CN, v8=1
27.514014 -.00001 -6.7252 3 835.7055154 41509130338-4 3 37 2 2 CH3CN, v8=1
27.514014 -.00001 -6.7252 3 835.7055154 41509130338 4 3 37-2 2 CH3CN, v8=1
27.516273 .00000 -5.0910 3 2220.5422182 4150913034515 2 4415 2 CH3CN, v8=1
27.521365 .00000 -5.1512 3 2241.9475182 -4150913034517 3 4417 3 CH3CN, v8=1
27.523579 .00000 -6.1685 3 894.4249170 41509130342 2 3 41 0 2 CH3CN, v8=1
27.535403 .00000 -4.7685 3 2069.2742182 -4150913034514 2 44a4 2 CH3CN, v8=1
27.535403 .00000 -4.7685 3 2069.2742182 -41509130345a4 2 4414 2 CH3CN, v8=1
27.537373 .00000 -4.8242 3 2089.1526182 4150913034516 3 44a6 3 CH3CN, v8=1
27.537373 .00000 -4.8242 3 2089.1526182 41509130345a6 3 4416 3 CH3CN, v8=1
27.548695 .00000 -4.4654 3 1926.9975182 -4150913034513 2 4413 2 CH3CN, v8=1
27.552699 .00000 -4.5181 3 1946.0162182 -4150913034515 3 4415 3 CH3CN, v8=1
27.555584 -.00001 -7.3402 3 1222.7173210 41509130352 2 2 51-4 3 CH3CN, v8=1
27.555585 -.00001 -7.3402 3 1222.7173210 41509130352-2 2 51 4 3 CH3CN, v8=1
27.561129 .00000 -4.1841 3 1794.9665182 4150913034512 2 4412 2 CH3CN, v8=1
27.566401 .00000 -4.2328 3 1812.5648182 -4150913034514 3 4414 3 CH3CN, v8=1
27.567958 .00000 -6.5946 3 1060.2905194 41509130348 0 2 47 2 3 CH3CN, v8=1
27.573863 .00000 -3.9237 3 1672.5828182 -4150913034511 2 44a1 2 CH3CN, v8=1
27.573863 .00000 -3.9237 3 1672.5828182 -41509130345a1 2 4411 2 CH3CN, v8=1
27.579434 .00000 -3.9683 3 1688.8312182 -4150913034513 3 44a3 3 CH3CN, v8=1
27.579434 .00000 -3.9683 3 1688.8312182 -41509130345a3 3 4413 3 CH3CN, v8=1
27.585649 .00000 -3.6838 3 1559.9324182 -4150913034510 2 4410 2 CH3CN, v8=1
27.591422 .00000 -3.7248 3 1574.8411182 -4150913034512 3 4412 3 CH3CN, v8=1
27.596403 .00000 -3.4649 3 1457.0487182 -41509130345 9 2 44 9 2 CH3CN, v8=1
27.602521 .00000 -3.5021 3 1470.6191182 -4150913034511 3 4411 3 CH3CN, v8=1
27.603069 -.00001 -6.9769 3 824.8446146 41509130336 5 3 35 3 2 CH3CN, v8=1
27.606099 .00000 -3.2669 3 1363.9565182 -41509130345-8 2 44 8 2 CH3CN, v8=1
27.606099 .00000 -3.2669 3 1363.9565182 -41509130345 8 2 44-8 2 CH3CN, v8=1
27.612588 .00000 -3.3002 3 1376.1885182 -4150913034510 3 44a0 3 CH3CN, v8=1
27.612588 .00000 -3.3002 3 1376.1885182 -41509130345a0 3 4410 3 CH3CN, v8=1
27.614707 .00000 -3.0899 3 1280.6775182 -41509130345 7 2 44 7 2 CH3CN, v8=1
27.620358 -.00001 -6.9374 3 1135.3105202 41509130350 1 2 49 3 3 CH3CN, v8=1
27.621686 .00000 -3.1195 3 1291.5704182 -41509130345 9 3 44 9 3 CH3CN, v8=1
27.622196 .00000 -2.9339 3 1207.2302182 -41509130345 6 2 44 6 2 CH3CN, v8=1
27.625289 .00000 -2.4300 3 969.0155182 -41509130345 1 3 44-1 3 CH3CN, v8=1
27.628520 .00000 -2.7988 3 1143.6308182 -41509130345-5 2 44 5 2 CH3CN, v8=1
27.628520 .00000 -2.7988 3 1143.6308182 -41509130345 5 2 44-5 2 CH3CN, v8=1
27.629838 .00000 -2.9597 3 1216.7838182 -41509130345 8 3 44 8 3 CH3CN, v8=1
27.633601 .00000 -2.6848 3 1089.8930182 41509130345 4 2 44 4 2 CH3CN, v8=1
27.633653 .00000 -2.4394 3 973.6556182 41509130345 0 2 44 0 2 CH3CN, v8=1
27.637083 .00000 -2.8209 3 1151.8460182 -41509130345-7 3 44 7 3 CH3CN, v8=1
27.637083 .00000 -2.8209 3 1151.8460182 -41509130345 7 3 44-7 3 CH3CN, v8=1
27.637290 .00000 -2.5918 3 1046.0271182 -41509130345 3 2 44 3 2 CH3CN, v8=1
27.638786 .00000 -2.4691 3 987.9270182 -41509130345 1 2 44 1 2 CH3CN, v8=1
27.639279 .00000 -2.5199 3 1012.0393182 -41509130345-2 2 44 2 2 CH3CN, v8=1
27.639279 .00000 -2.5199 3 1012.0394182 -41509130345 2 2 44-2 2 CH3CN, v8=1
27.643493 .00000 -2.7031 3 1096.7724182 -41509130345 6 3 44 6 3 CH3CN, v8=1
27.649212 .00000 -2.6064 3 1051.5770182 -41509130345 5 3 44 5 3 CH3CN, v8=1
27.654545 .00000 -2.5307 3 1016.2740182 -41509130345-4 3 44 4 3 CH3CN, v8=1
27.654545 .00000 -2.5307 3 1016.2740182 -41509130345 4 3 44-4 3 CH3CN, v8=1
27.660270 .00000 -2.4762 3 990.8816182 -41509130345 3 3 44 3 3 CH3CN, v8=1
27.668544 .00000 -2.4427 3 975.4458182 -41509130345 2 3 44 2 3 CH3CN, v8=1
27.677955 .00000 -2.4308 3 970.1827182 -41509130345-1 3 44 1 3 CH3CN, v8=1
28.028868 .00000 -7.0397 3 3149.0542186 4150913034620 2 45b0 2 CH3CN, v8=1
28.028868 .00000 -7.0397 3 3149.0542186 41509130346b0 2 4520 2 CH3CN, v8=1
28.034219 .00000 -7.1196 3 3177.0194186 4150913034622 3 45b2 3 CH3CN, v8=1
28.034219 .00000 -7.1196 3 3177.0194186 41509130346b2 3 4522 3 CH3CN, v8=1
28.050188 .00000 -6.6144 3 2949.8028186 4150913034619 2 4519 2 CH3CN, v8=1
28.055551 .00000 -6.6900 3 2976.4762186 4150913034621 3 4521 3 CH3CN, v8=1
28.070518 .00000 -6.2094 3 2760.0365186 4150913034618 2 4518 2 CH3CN, v8=1
28.075898 .00000 -6.2809 3 2785.4117186 4150913034620 3 4520 3 CH3CN, v8=1
28.088145 -.00001 -6.4512 3 883.4912166 41509130341 3 3 40 1 2 CH3CN, v8=1
28.089854 .00000 -5.8253 3 2579.7952186 4150913034617 2 45a7 2 CH3CN, v8=1
28.089854 .00000 -5.8253 3 2579.7952186 41509130346a7 2 4517 2 CH3CN, v8=1
28.095254 .00000 -5.8925 3 2603.8645186 4150913034619 3 45a9 3 CH3CN, v8=1
28.095254 .00000 -5.8925 3 2603.8645186 41509130346a9 3 4519 3 CH3CN, v8=1
28.108201 .00000 -5.4612 3 2409.1195186 4150913034616 2 4516 2 CH3CN, v8=1
28.113612 .00000 -5.5246 3 2431.8717186 4150913034618 3 4518 3 CH3CN, v8=1
28.125646 .00000 -5.1181 3 2248.0584186 4150913034615 2 4515 2 CH3CN, v8=1
28.130968 .00000 -5.1775 3 2269.4689186 4150913034617 3 4517 3 CH3CN, v8=1
28.137054 -.00001 -6.7271 3 859.0585158 41509130339 4 3 38-2 2 CH3CN, v8=1
28.137054 -.00001 -6.7271 3 859.0585158 41509130339-4 3 38 2 2 CH3CN, v8=1
28.139258 .00000 -6.6489 3 1089.7979198 41509130349 0 2 48 2 3 CH3CN, v8=1
28.145273 .00000 -4.7959 3 2096.8096186 -4150913034614 2 45a4 2 CH3CN, v8=1
28.145273 .00000 -4.7959 3 2096.8096186 -41509130346a4 2 4514 2 CH3CN, v8=1
28.147317 -.00001 -4.8509 3 2116.6900186 -4150913034616 3 45a6 3 CH3CN, v8=1
28.147317 -.00001 -4.8509 3 2116.6900186 -41509130346a6 3 4516 3 CH3CN, v8=1
28.158779 .00000 -4.4931 3 1954.5462186 -4150913034613 2 4513 2 CH3CN, v8=1
28.163075 .00000 -4.5452 3 1973.5689186 -4150913034615 3 4515 3 CH3CN, v8=1
28.167161 .00000 -6.2039 3 920.2233174 41509130343 2 3 42 0 2 CH3CN, v8=1
28.171434 .00000 -4.2122 3 1822.5276186 4150913034612 2 4512 2 CH3CN, v8=1
28.176972 .00000 -4.2603 3 1840.1312186 -4150913034614 3 4514 3 CH3CN, v8=1
28.184431 .00000 -3.9519 3 1700.1567186 -4150913034611 2 45a1 2 CH3CN, v8=1
28.184431 .00000 -3.9519 3 1700.1567186 -41509130346a1 2 4511 2 CH3CN, v8=1
28.190289 .00000 -3.9961 3 1716.4106186 -4150913034613 3 45a3 3 CH3CN, v8=1
28.190289 .00000 -3.9961 3 1716.4106186 -41509130346a3 3 4513 3 CH3CN, v8=1
28.196460 .00000 -3.7124 3 1587.5181186 -4150913034610 2 4510 2 CH3CN, v8=1
28.202571 .00000 -3.7528 3 1602.4325186 -4150913034612 3 4512 3 CH3CN, v8=1
28.203094 -.00001 -6.9833 3 1166.0339206 41509130351 1 2 50 3 3 CH3CN, v8=1
28.207433 .00000 -3.4937 3 1484.6451186 -41509130346 9 2 45 9 2 CH3CN, v8=1
28.213882 .00000 -3.5304 3 1498.2216186 -4150913034611 3 4511 3 CH3CN, v8=1
28.217322 .00000 -3.2959 3 1391.5626186 -41509130346-8 2 45 8 2 CH3CN, v8=1
28.217322 .00000 -3.2959 3 1391.5626186 -41509130346 8 2 45-8 2 CH3CN, v8=1
28.223032 -.00001 -6.9732 3 846.9696150 41509130337 5 3 36 3 2 CH3CN, v8=1
28.224173 .00000 -3.3288 3 1403.8011186 -4150913034610 3 45a0 3 CH3CN, v8=1
28.224173 .00000 -3.3288 3 1403.8011186 -41509130346a0 3 4510 3 CH3CN, v8=1
28.226096 .00000 -3.1190 3 1308.2922186 -41509130346 7 2 45 7 2 CH3CN, v8=1
28.233478 .00000 -3.1483 3 1319.1921186 -41509130346 9 3 45 9 3 CH3CN, v8=1
28.233727 .00000 -2.9631 3 1234.8524186 -41509130346 6 2 45 6 2 CH3CN, v8=1
28.237022 .00000 -2.4596 3 996.6408186 -41509130346-1 3 45 1 3 CH3CN, v8=1
28.240165 .00000 -2.8282 3 1171.2593186 -41509130346-5 2 45 5 2 CH3CN, v8=1
28.240165 .00000 -2.8282 3 1171.2593186 -41509130346 5 2 45-5 2 CH3CN, v8=1
28.241819 .00000 -2.9886 3 1244.4137186 -41509130346 8 3 45 8 3 CH3CN, v8=1
28.245132 .00000 -2.4690 3 1001.2892186 -41509130346 0 2 45 0 2 CH3CN, v8=1
28.245317 .00000 -2.7143 3 1117.5266186 -41509130346 4 2 45 4 2 CH3CN, v8=1
28.249041 .00000 -2.6214 3 1073.6644186 -41509130346 3 2 45 3 2 CH3CN, v8=1
28.249242 .00000 -2.8500 3 1179.4831186 -41509130346-7 3 45 7 3 CH3CN, v8=1
28.249242 .00000 -2.8500 3 1179.4831186 -41509130346 7 3 45-7 3 CH3CN, v8=1
28.250412 .00000 -2.4987 3 1015.5658186 -41509130346 1 2 45 1 2 CH3CN, v8=1
28.251008 .00000 -2.5495 3 1039.6786186 -41509130346 2 2 45-2 2 CH3CN, v8=1
28.251008 .00000 -2.5495 3 1039.6786186 -41509130346-2 2 45 2 2 CH3CN, v8=1
28.255821 .00000 -2.7324 3 1124.4159186 -41509130346 6 3 45 6 3 CH3CN, v8=1
28.261705 .00000 -2.6358 3 1079.2263186 -41509130346 5 3 45 5 3 CH3CN, v8=1
28.267216 .00000 -2.5602 3 1043.9285186 -41509130346 4 3 45-4 3 CH3CN, v8=1
28.267216 .00000 -2.5602 3 1043.9285186 -41509130346-4 3 45 4 3 CH3CN, v8=1
28.273155 .00000 -2.5057 3 1018.5419186 -41509130346 3 3 45 3 3 CH3CN, v8=1
28.281639 .00000 -2.4723 3 1003.1143186 -41509130346 2 3 45 2 3 CH3CN, v8=1
28.290823 .00000 -2.4605 3 997.8606186 -41509130346 1 3 45-1 3 CH3CN, v8=1
28.636116 .00000 -7.0665 3 3177.0831190 4150913034720 2 46b0 2 CH3CN, v8=1
28.636116 .00000 -7.0665 3 3177.0831190 41509130347b0 2 4620 2 CH3CN, v8=1
28.641671 .00000 -7.1453 3 3205.0537190 4150913034722 3 46b2 3 CH3CN, v8=1
28.641671 .00000 -7.1453 3 3205.0537190 41509130347b2 3 4622 3 CH3CN, v8=1
28.657875 .00000 -6.6418 3 2977.8529190 4150913034719 2 4619 2 CH3CN, v8=1
28.663448 .00000 -6.7163 3 3004.5318190 4150913034721 3 4621 3 CH3CN, v8=1
28.678623 .00000 -6.2373 3 2788.1070190 4150913034718 2 4618 2 CH3CN, v8=1
28.684219 .00000 -6.3078 3 2813.4876190 4150913034720 3 4620 3 CH3CN, v8=1
28.698355 .00000 -5.8533 3 2607.8851190 4150913034717 2 46a7 2 CH3CN, v8=1
28.698355 .00000 -5.8533 3 2607.8851190 41509130347a7 2 4617 2 CH3CN, v8=1
28.703978 .00000 -5.9199 3 2631.9598190 4150913034719 3 46a9 3 CH3CN, v8=1
28.703978 .00000 -5.9199 3 2631.9598190 41509130347a9 3 4619 3 CH3CN, v8=1
28.708794 .00000 -6.7061 3 1119.9180202 41509130350 0 2 49 2 3 CH3CN, v8=1
28.717077 .00000 -5.4899 3 2437.2277190 4150913034716 2 4616 2 CH3CN, v8=1
28.718293 -.00001 -6.4653 3 908.6820170 41509130342 3 3 41 1 2 CH3CN, v8=1
28.722719 .00000 -5.5525 3 2459.9854190 4150913034718 3 4618 3 CH3CN, v8=1
28.734881 .00000 -5.1472 3 2276.1841190 4150913034715 2 4615 2 CH3CN, v8=1
28.740439 .00000 -5.2058 3 2297.5999190 4150913034717 3 4617 3 CH3CN, v8=1
28.755004 .00000 -4.8254 3 2124.9548190 4150913034714 2 46a4 2 CH3CN, v8=1
28.755004 .00000 -4.8254 3 2124.9548190 41509130347a4 2 4614 2 CH3CN, v8=1
28.757133 .00000 -4.8797 3 2144.8373190 4150913034716 3 46a6 3 CH3CN, v8=1
28.757133 .00000 -4.8797 3 2144.8373190 41509130347a6 3 4616 3 CH3CN, v8=1
28.760707 -.00001 -6.7318 3 883.0242162 41509130340-4 3 39 2 2 CH3CN, v8=1
28.760707 -.00001 -6.7318 3 883.0242162 41509130340 4 3 39-2 2 CH3CN, v8=1
28.768731 .00000 -4.5228 3 1982.7050190 4150913034713 2 4613 2 CH3CN, v8=1
28.773369 .00000 -4.5745 3 2001.7320190 4150913034715 3 4615 3 CH3CN, v8=1
28.781596 .00000 -4.2422 3 1850.6990190 4150913034712 2 4612 2 CH3CN, v8=1
28.784262 -.00001 -7.0155 3 1197.3695210 41509130352 1 2 51 3 3 CH3CN, v8=1
28.787411 .00000 -4.2897 3 1868.3081190 4150913034714 3 4614 3 CH3CN, v8=1
28.794857 .00000 -3.9822 3 1728.3411190 4150913034711 2 46a1 2 CH3CN, v8=1
28.794857 .00000 -3.9822 3 1728.3411190 41509130347a1 2 4611 2 CH3CN, v8=1
28.801009 .00000 -4.0259 3 1744.6009190 4150913034713 3 46a3 3 CH3CN, v8=1
28.801009 .00000 -4.0259 3 1744.6009190 41509130347a3 3 4613 3 CH3CN, v8=1
28.807125 .00000 -3.7429 3 1615.7145190 4150913034710 2 4610 2 CH3CN, v8=1
28.812207 .00000 -6.2426 3 946.6336178 41509130344 2 3 43 0 2 CH3CN, v8=1
28.813564 .00000 -3.7829 3 1630.6351190 4150913034712 3 4612 3 CH3CN, v8=1
28.818315 .00000 -3.5243 3 1512.8525190 41509130347 9 2 46 9 2 CH3CN, v8=1
28.825110 .00000 -3.5607 3 1526.4355190 4150913034711 3 4611 3 CH3CN, v8=1
28.828396 .00000 -3.3268 3 1419.7799190 41509130347-8 2 46 8 2 CH3CN, v8=1
28.828396 .00000 -3.3268 3 1419.7799190 41509130347 8 2 46-8 2 CH3CN, v8=1
28.835627 .00000 -3.3594 3 1432.0253190 4150913034710 3 46a0 3 CH3CN, v8=1
28.835627 .00000 -3.3594 3 1432.0253190 41509130347a0 3 4610 3 CH3CN, v8=1
28.837339 .00000 -3.1501 3 1336.5183190 41509130347 7 2 46 7 2 CH3CN, v8=1
28.843399 -.00001 -6.9721 3 869.7076154 41509130338 5 3 37 3 2 CH3CN, v8=1
28.845108 .00000 -2.9943 3 1263.0861190 41509130347 6 2 46 6 2 CH3CN, v8=1
28.845139 .00000 -3.1790 3 1347.4256190 41509130347 9 3 46 9 3 CH3CN, v8=1
28.848610 .00000 -2.4911 3 1024.8778190 41509130347 1 3 46-1 3 CH3CN, v8=1
28.851651 .00000 -2.8595 3 1199.4995190 41509130347-5 2 46 5 2 CH3CN, v8=1
28.851651 .00000 -2.8595 3 1199.4995190 41509130347 5 2 46-5 2 CH3CN, v8=1
28.853672 .00000 -3.0196 3 1272.6555190 41509130347 8 3 46 8 3 CH3CN, v8=1
28.856470 .00000 -2.5005 3 1029.5344190 41509130347 0 2 46 0 2 CH3CN, v8=1
28.856882 .00000 -2.7456 3 1145.7719190 41509130347 4 2 46 4 2 CH3CN, v8=1
28.860638 .00000 -2.6528 3 1101.9134190 41509130347 3 2 46 3 2 CH3CN, v8=1
28.861272 .00000 -2.8811 3 1207.7323190 41509130347-7 3 46 7 3 CH3CN, v8=1
28.861272 .00000 -2.8811 3 1207.7323190 41509130347 7 3 46-7 3 CH3CN, v8=1
28.861880 .00000 -2.5302 3 1043.8162190 41509130347 1 2 46 1 2 CH3CN, v8=1
28.862579 .00000 -2.5810 3 1067.9296190 41509130347-2 2 46 2 2 CH3CN, v8=1
28.862579 .00000 -2.5810 3 1067.9296190 41509130347 2 2 46-2 2 CH3CN, v8=1
28.868018 .00000 -2.7636 3 1152.6717190 41509130347 6 3 46 6 3 CH3CN, v8=1
28.874069 .00000 -2.6671 3 1107.4880190 41509130347 5 3 46 5 3 CH3CN, v8=1
28.879760 .00000 -2.5916 3 1072.1957190 41509130347-4 3 46 4 3 CH3CN, v8=1
28.879760 .00000 -2.5916 3 1072.1957190 41509130347 4 3 46-4 3 CH3CN, v8=1
28.885911 .00000 -2.5372 3 1046.8151190 41509130347 3 3 46 3 3 CH3CN, v8=1
28.894595 .00000 -2.5039 3 1031.3959190 41509130347 2 3 46 2 3 CH3CN, v8=1
28.903546 .00000 -2.4921 3 1026.1515190 41509130347-1 3 46 1 3 CH3CN, v8=1
29.243231 .00000 -7.0955 3 3205.7192194 4150913034820 2 47b0 2 CH3CN, v8=1
29.243231 .00000 -7.0955 3 3205.7192194 41509130348b0 2 4720 2 CH3CN, v8=1
29.248995 .00000 -7.1732 3 3233.6953194 4150913034822 3 47b2 3 CH3CN, v8=1
29.248995 .00000 -7.1732 3 3233.6953194 41509130348b2 3 4722 3 CH3CN, v8=1
29.265426 .00000 -6.6851 3 3006.5108194 4150913034819 2 4719 2 CH3CN, v8=1
29.271215 .00000 -6.7448 3 3033.1952194 4150913034821 3 4721 3 CH3CN, v8=1
29.276569 .00000 -6.7660 3 1150.6506206 41509130351 0 2 50 2 3 CH3CN, v8=1
29.286590 .00000 -6.2672 3 2816.7856194 4150913034818 2 4718 2 CH3CN, v8=1
29.292408 .00000 -6.3369 3 2842.1718194 4150913034820 3 4720 3 CH3CN, v8=1
29.306717 .00000 -5.8837 3 2636.5834194 4150913034817 2 47a7 2 CH3CN, v8=1
29.306717 .00000 -5.8837 3 2636.5834194 41509130348a7 2 4717 2 CH3CN, v8=1
29.312569 .00000 -5.9499 3 2660.6638194 -4150913034819 3 47a9 3 CH3CN, v8=1
29.312569 .00000 -5.9499 3 2660.6638194 -41509130348a9 3 4719 3 CH3CN, v8=1
29.325815 .00000 -5.5207 3 2465.9447194 -4150913034816 2 4716 2 CH3CN, v8=1
29.331694 .00000 -5.5826 3 2488.7081194 -4150913034818 3 4718 3 CH3CN, v8=1
29.343975 .00000 -5.1782 3 2304.9190194 -4150913034815 2 4715 2 CH3CN, v8=1
29.349449 -.00001 -6.4823 3 934.4849174 41509130343 3 3 42 1 2 CH3CN, v8=1
29.349776 .00000 -5.2362 3 2326.3403194 -4150913034817 3 4717 3 CH3CN, v8=1
29.364607 .00000 -4.8568 3 2153.7098194 -4150913034814 2 47a4 2 CH3CN, v8=1
29.364607 .00000 -4.8568 3 2153.7098194 -41509130348a4 2 4714 2 CH3CN, v8=1
29.366813 .00000 -4.9105 3 2173.5945194 -4150913034816 3 47a6 3 CH3CN, v8=1
29.366813 .00000 -4.9105 3 2173.5945194 -41509130348a6 3 4716 3 CH3CN, v8=1
29.378556 .00000 -4.5545 3 2011.4737194 -4150913034813 2 4713 2 CH3CN, v8=1
29.383638 .00000 -4.6057 3 2030.5053194 -4150913034815 3 4715 3 CH3CN, v8=1
29.385001 -.00001 -6.7393 3 907.6026166 41509130341 4 3 40-2 2 CH3CN, v8=1
29.385002 -.00001 -6.7393 3 907.6026166 41509130341-4 3 40 2 2 CH3CN, v8=1
29.391613 .00000 -4.2742 3 1879.4806194 4150913034812 2 4712 2 CH3CN, v8=1
29.397714 .00000 -4.3212 3 1897.0955194 -4150913034814 3 4714 3 CH3CN, v8=1
29.405135 .00000 -4.0143 3 1757.1360194 -4150913034811 2 47a1 2 CH3CN, v8=1
29.405135 .00000 -4.0143 3 1757.1360194 -41509130348a1 2 4711 2 CH3CN, v8=1
29.411595 .00000 -4.0576 3 1773.4019194 -4150913034813 3 47a3 3 CH3CN, v8=1
29.411595 .00000 -4.0576 3 1773.4019194 -41509130348a3 3 4713 3 CH3CN, v8=1
29.417642 .00000 -3.7753 3 1644.5217194 -4150913034810 2 4710 2 CH3CN, v8=1
29.424415 .00000 -3.8149 3 1659.4487194 -4150913034812 3 4712 3 CH3CN, v8=1
29.429049 .00000 -3.5570 3 1541.6708194 -41509130348 9 2 47 9 2 CH3CN, v8=1
29.436201 .00000 -3.5931 3 1555.2606194 -4150913034811 3 4711 3 CH3CN, v8=1
29.439320 .00000 -3.3595 3 1448.6083194 -41509130348-8 2 47 8 2 CH3CN, v8=1
29.439320 .00000 -3.3595 3 1448.6083194 -41509130348 8 2 47-8 2 CH3CN, v8=1
29.446942 .00000 -3.3918 3 1460.8609194 -4150913034810 3 47a0 3 CH3CN, v8=1
29.446942 .00000 -3.3918 3 1460.8609194 -41509130348a0 3 4710 3 CH3CN, v8=1
29.448428 .00000 -3.1830 3 1365.3556194 -41509130348 7 2 47 7 2 CH3CN, v8=1
29.456335 .00000 -3.0274 3 1291.9312194 -41509130348 6 2 47 6 2 CH3CN, v8=1
29.456661 .00000 -3.2117 3 1376.2707194 -41509130348 9 3 47 9 3 CH3CN, v8=1
29.458723 .00000 -6.2847 3 973.6556182 41509130345 2 3 44 0 2 CH3CN, v8=1
29.460054 .00000 -2.5244 3 1053.7264194 -41509130348-1 3 47 1 3 CH3CN, v8=1
29.462986 .00000 -2.8926 3 1228.3512194 -41509130348-5 2 47 5 2 CH3CN, v8=1
29.462986 .00000 -2.8926 3 1228.3512194 -41509130348 5 2 47-5 2 CH3CN, v8=1
29.464191 -.00001 -6.9746 3 893.0585158 41509130339 5 3 38 3 2 CH3CN, v8=1
29.465386 .00000 -3.0524 3 1301.5092194 -41509130348 8 3 47 8 3 CH3CN, v8=1
29.467660 .00000 -2.5339 3 1058.3908194 -41509130348 0 2 47 0 2 CH3CN, v8=1
29.468288 .00000 -2.7789 3 1174.6288194 -41509130348 4 2 47 4 2 CH3CN, v8=1
29.472073 .00000 -2.6861 3 1130.7741194 -41509130348 3 2 47 3 2 CH3CN, v8=1
29.473164 .00000 -2.9140 3 1236.5936194 41509130348-7 3 47 7 3 CH3CN, v8=1
29.473164 .00000 -2.9140 3 1236.5936194 41509130348 7 3 47-7 3 CH3CN, v8=1
29.473186 .00000 -2.5636 3 1072.6781194 41509130348 1 2 47 1 2 CH3CN, v8=1
29.473986 .00000 -2.6143 3 1096.7922194 -41509130348 2 2 47-2 2 CH3CN, v8=1
29.473986 .00000 -2.6143 3 1096.7922194 -41509130348-2 2 47 2 2 CH3CN, v8=1
29.480080 .00000 -2.7967 3 1181.5397194 -41509130348 6 3 47 6 3 CH3CN, v8=1
29.486300 .00000 -2.7003 3 1136.3620194 -41509130348 5 3 47 5 3 CH3CN, v8=1
29.492173 .00000 -2.6249 3 1101.0755194 -41509130348 4 3 47-4 3 CH3CN, v8=1
29.492173 .00000 -2.6249 3 1101.0755194 -41509130348-4 3 47 4 3 CH3CN, v8=1
29.498537 .00000 -2.5705 3 1075.7010194 -41509130348 3 3 47 3 3 CH3CN, v8=1
29.507401 .00000 -2.5372 3 1060.2905194 -41509130348 2 3 47 2 3 CH3CN, v8=1
29.516120 .00000 -2.5256 3 1055.0550194 -41509130348 1 3 47-1 3 CH3CN, v8=1
29.842587 .00000 -6.8288 3 1181.9954210 41509130352 0 2 51 2 3 CH3CN, v8=1
29.850208 .00000 -7.1266 3 3234.9624198 4150913034920 2 48b0 2 CH3CN, v8=1
29.850208 .00000 -7.1266 3 3234.9624198 41509130349b0 2 4820 2 CH3CN, v8=1
29.856187 .00000 -7.2033 3 3262.9443198 4150913034922 3 48b2 3 CH3CN, v8=1
29.856187 .00000 -7.2033 3 3262.9443198 41509130349b2 3 4822 3 CH3CN, v8=1
29.872838 .00000 -6.7169 3 3035.7762198 4150913034919 2 4819 2 CH3CN, v8=1
29.878848 .00000 -6.7755 3 3062.4664198 4150913034921 3 4821 3 CH3CN, v8=1
29.894416 .00000 -6.2992 3 2846.0722198 4150913034918 2 4818 2 CH3CN, v8=1
29.900464 .00000 -6.3680 3 2871.4642198 4150913034920 3 4820 3 CH3CN, v8=1
29.914937 .00000 -5.9173 3 2665.8901198 4150913034917 2 48a7 2 CH3CN, v8=1
29.914937 .00000 -5.9173 3 2665.8901198 41509130349a7 2 4817 2 CH3CN, v8=1
29.921027 .00000 -5.9814 3 2689.9763198 4150913034919 3 48a9 3 CH3CN, v8=1
29.921027 .00000 -5.9814 3 2689.9763198 41509130349a9 3 4819 3 CH3CN, v8=1
29.934406 .00000 -5.5534 3 2495.2706198 -4150913034916 2 4816 2 CH3CN, v8=1
29.940535 -.00001 -5.6146 3 2518.0398198 -4150913034918 3 4818 3 CH3CN, v8=1
29.952924 .00000 -5.2113 3 2334.2629198 -4150913034915 2 4815 2 CH3CN, v8=1
29.958976 .00000 -5.2687 3 2355.6901198 -4150913034917 3 4817 3 CH3CN, v8=1
29.974075 .00000 -4.8901 3 2183.0745198 -4150913034914 2 48a4 2 CH3CN, v8=1
29.974075 .00000 -4.8901 3 2183.0745198 -41509130349a4 2 4814 2 CH3CN, v8=1
29.976354 .00000 -4.9433 3 2202.9613198 4150913034916 3 48a6 3 CH3CN, v8=1
29.976354 .00000 -4.9433 3 2202.9613198 41509130349a6 3 4816 3 CH3CN, v8=1
29.981644 -.00001 -6.5024 3 960.9000178 41509130344 3 3 43 1 2 CH3CN, v8=1
29.988257 .00000 -4.5882 3 2040.8523198 -4150913034913 2 4813 2 CH3CN, v8=1
29.993991 .00000 -4.6389 3 2059.8890198 -4150913034915 3 4815 3 CH3CN, v8=1
30.001480 .00000 -4.3080 3 1908.8722198 4150913034912 2 4812 2 CH3CN, v8=1
30.007876 .00000 -4.3546 3 1926.4933198 -4150913034914 3 4814 3 CH3CN, v8=1
30.009967 -.00001 -6.7494 3 932.7934170 41509130342-4 3 41 2 2 CH3CN, v8=1
30.009967 -.00001 -6.7494 3 932.7934170 41509130342 4 3 41-2 2 CH3CN, v8=1
30.015265 .00000 -4.0484 3 1786.5411198 -4150913034911 2 48a1 2 CH3CN, v8=1
30.015265 .00000 -4.0484 3 1786.5411198 -41509130349a1 2 4811 2 CH3CN, v8=1
30.022040 .00000 -4.0914 3 1802.8135198 -4150913034913 3 48a3 3 CH3CN, v8=1
30.022040 .00000 -4.0914 3 1802.8135198 -41509130349a3 3 4813 3 CH3CN, v8=1
30.028008 .00000 -3.8096 3 1673.9393198 -4150913034910 2 4810 2 CH3CN, v8=1
30.035123 .00000 -3.8488 3 1688.8731198 -4150913034912 3 4812 3 CH3CN, v8=1
30.039628 .00000 -3.5915 3 1571.0999198 -41509130349 9 2 48 9 2 CH3CN, v8=1
30.047151 .00000 -3.6270 3 1584.6968198 -4150913034911 3 4811 3 CH3CN, v8=1
30.050090 .00000 -3.3942 3 1478.0477198 -41509130349-8 2 48 8 2 CH3CN, v8=1
30.050090 .00000 -3.3942 3 1478.0477198 -41509130349 8 2 48-8 2 CH3CN, v8=1
30.058115 .00000 -3.4262 3 1490.3079198 -4150913034910 3 48a0 3 CH3CN, v8=1
30.058115 .00000 -3.4262 3 1490.3079198 -41509130349a0 3 4810 3 CH3CN, v8=1
30.059362 .00000 -3.2178 3 1394.8040198 -41509130349 7 2 48 7 2 CH3CN, v8=1
30.067403 .00000 -3.0623 3 1321.3875198 -41509130349 6 2 48 6 2 CH3CN, v8=1
30.068044 .00000 -3.2462 3 1405.7274198 -41509130349 9 3 48 9 3 CH3CN, v8=1
30.071349 .00000 -2.5596 3 1083.1864198 -41509130349 1 3 48-1 3 CH3CN, v8=1
30.074161 .00000 -2.9276 3 1257.8141198 -41509130349-5 2 48 5 2 CH3CN, v8=1
30.074161 .00000 -2.9276 3 1257.8141198 -41509130349 5 2 48-5 2 CH3CN, v8=1
30.076961 .00000 -3.0871 3 1330.9746198 -41509130349 8 3 48 8 3 CH3CN, v8=1
30.078701 .00000 -2.5691 3 1087.8585198 -41509130349 0 2 48 0 2 CH3CN, v8=1
30.079533 .00000 -2.8140 3 1204.0971198 -41509130349 4 2 48 4 2 CH3CN, v8=1
30.083346 .00000 -2.7213 3 1160.2461198 -41509130349 3 2 48 3 2 CH3CN, v8=1
30.084327 .00000 -2.5988 3 1102.1513198 -41509130349 1 2 48 1 2 CH3CN, v8=1
30.084918 .00000 -2.9489 3 1266.0668198 -41509130349-7 3 48 7 3 CH3CN, v8=1
30.084918 .00000 -2.9489 3 1266.0668198 -41509130349 7 3 48-7 3 CH3CN, v8=1
30.085229 .00000 -2.6495 3 1126.2662198 -41509130349-2 2 48 2 2 CH3CN, v8=1
30.085229 .00000 -2.6495 3 1126.2662198 -41509130349 2 2 48-2 2 CH3CN, v8=1
30.085431 -.00001 -6.9782 3 917.0222162 41509130340 5 3 39 3 2 CH3CN, v8=1
30.092006 .00000 -2.8316 3 1211.0198198 -41509130349 6 3 48 6 3 CH3CN, v8=1
30.098395 .00000 -2.7354 3 1165.8483198 -41509130349 5 3 48 5 3 CH3CN, v8=1
30.104450 .00000 -2.6600 3 1130.5677198 -41509130349-4 3 48 4 3 CH3CN, v8=1
30.104450 .00000 -2.6600 3 1130.5677198 -41509130349 4 3 48-4 3 CH3CN, v8=1
30.106711 .00000 -6.3299 3 1001.2892186 41509130346 2 3 45 0 2 CH3CN, v8=1
30.111025 .00000 -2.6058 3 1105.1995198 -41509130349 3 3 48 3 3 CH3CN, v8=1
30.120056 .00000 -2.5725 3 1089.7979198 -41509130349 2 3 48 2 3 CH3CN, v8=1
30.128544 .00000 -2.5609 3 1084.5711198 -41509130349-1 3 48 1 3 CH3CN, v8=1
30.406853 .00000 -6.8941 3 1213.9525214 41509130353 0 2 52 2 3 CH3CN, v8=1
30.457045 .00000 -7.1597 3 3264.8126202 4150913035020 2 49b0 2 CH3CN, v8=1
30.457045 .00000 -7.1597 3 3264.8126202 41509130350b0 2 4920 2 CH3CN, v8=1
30.463245 .00000 -7.2355 3 3292.8005202 4150913035022 3 49b2 3 CH3CN, v8=1
30.463245 .00000 -7.2355 3 3292.8005202 41509130350b2 3 4922 3 CH3CN, v8=1
30.480109 .00000 -6.7362 3 3065.6491202 4150913035019 2 4919 2 CH3CN, v8=1
30.486346 .00000 -6.8082 3 3092.3453202 4150913035021 3 4921 3 CH3CN, v8=1
30.502100 .00000 -6.3331 3 2875.9666202 4150913035018 2 4918 2 CH3CN, v8=1
30.508382 .00000 -6.4013 3 2901.3647202 4150913035020 3 4920 3 CH3CN, v8=1
30.523013 .00000 -5.9504 3 2695.8051202 4150913035017 2 49a7 2 CH3CN, v8=1
30.523013 .00000 -5.9504 3 2695.8051202 41509130350a7 2 4917 2 CH3CN, v8=1
30.529346 .00000 -6.0148 3 2719.8974202 4150913035019 3 49a9 3 CH3CN, v8=1
30.529346 .00000 -6.0148 3 2719.8974202 41509130350a9 3 4919 3 CH3CN, v8=1
30.542852 -.00001 -5.5880 3 2525.2050202 -4150913035016 2 4916 2 CH3CN, v8=1
30.549232 .00000 -5.6487 3 2547.9803202 4150913035018 3 4918 3 CH3CN, v8=1
30.561724 .00000 -5.2463 3 2364.2159202 4150913035015 2 4915 2 CH3CN, v8=1
30.568038 -.00001 -5.3031 3 2385.6491202 -4150913035017 3 4917 3 CH3CN, v8=1
30.583405 .00000 -4.9254 3 2213.0485202 -4150913035014 2 49a4 2 CH3CN, v8=1
30.583405 .00000 -4.9254 3 2213.0485202 -41509130350a4 2 4914 2 CH3CN, v8=1
30.585755 .00000 -4.9781 3 2232.9376202 4150913035016 3 49a6 3 CH3CN, v8=1
30.585755 .00000 -4.9781 3 2232.9376202 41509130350a6 3 4916 3 CH3CN, v8=1
30.597840 .00000 -4.6237 3 2070.8406202 -4150913035013 2 4913 2 CH3CN, v8=1
30.604765 .00000 -4.6744 3 2089.8830202 4150913035015 3 4915 3 CH3CN, v8=1
30.611194 -.00001 -4.3438 3 1938.8737202 -4150913035012 2 4912 2 CH3CN, v8=1
30.614911 -.00001 -6.5252 3 987.9270182 41509130345 3 3 44 1 2 CH3CN, v8=1
30.617897 .00000 -4.3900 3 1956.5011202 -4150913035014 3 4914 3 CH3CN, v8=1
30.625237 .00000 -4.0845 3 1816.5564202 -4150913035011 2 49a1 2 CH3CN, v8=1
30.625237 .00000 -4.0845 3 1816.5564202 -41509130350a1 2 4911 2 CH3CN, v8=1
30.632340 .00000 -4.1270 3 1832.8356202 -4150913035013 3 49a3 3 CH3CN, v8=1
30.632340 .00000 -4.1270 3 1832.8356202 -41509130350a3 3 4913 3 CH3CN, v8=1
30.635632 -.00001 -6.7622 3 958.5966174 41509130343 4 3 42-2 2 CH3CN, v8=1
30.635632 -.00001 -6.7622 3 958.5966174 41509130343-4 3 42 2 2 CH3CN, v8=1
30.638219 .00000 -3.8457 3 1703.9673202 -4150913035010 2 4910 2 CH3CN, v8=1
30.645690 .00000 -3.8847 3 1718.9082202 -4150913035012 3 4912 3 CH3CN, v8=1
30.650052 .00000 -3.6278 3 1601.1395202 -41509130350 9 2 49 9 2 CH3CN, v8=1
30.657957 .00000 -3.6631 3 1614.7440202 -4150913035011 3 4911 3 CH3CN, v8=1
30.660702 .00000 -3.4307 3 1508.0977202 -41509130350-8 2 49 8 2 CH3CN, v8=1
30.660702 .00000 -3.4307 3 1508.0977202 -41509130350 8 2 49-8 2 CH3CN, v8=1
30.669148 .00000 -3.4624 3 1520.3660202 -4150913035010 3 49a0 3 CH3CN, v8=1
30.669148 .00000 -3.4624 3 1520.3660202 -41509130350a0 3 4910 3 CH3CN, v8=1
30.670135 .00000 -3.2544 3 1424.8634202 -41509130350 7 2 49 7 2 CH3CN, v8=1
30.678313 .00000 -3.0990 3 1351.4549202 -41509130350 6 2 49 6 2 CH3CN, v8=1
30.679282 .00000 -3.2826 3 1435.7954202 -41509130350 9 3 49 9 3 CH3CN, v8=1
30.682489 .00000 -2.5966 3 1113.2578202 -41509130350-1 3 49 1 3 CH3CN, v8=1
30.685172 .00000 -2.9644 3 1287.8883202 -41509130350-5 2 49 5 2 CH3CN, v8=1
30.685172 .00000 -2.9644 3 1287.8883202 -41509130350 5 2 49-5 2 CH3CN, v8=1
30.688391 .00000 -3.1236 3 1361.0515202 -41509130350 8 3 49 8 3 CH3CN, v8=1
30.689591 .00000 -2.6061 3 1117.9372202 -41509130350 0 2 49 0 2 CH3CN, v8=1
30.690612 .00000 -2.8509 3 1234.1766202 -41509130350 4 2 49 4 2 CH3CN, v8=1
30.694451 .00000 -2.7583 3 1190.3295202 -41509130350 3 2 49 3 2 CH3CN, v8=1
30.695302 .00000 -2.6359 3 1132.2356202 -41509130350 1 2 49 1 2 CH3CN, v8=1
30.696304 .00000 -2.6866 3 1156.3514202 -41509130350 2 2 49-2 2 CH3CN, v8=1
30.696304 .00000 -2.6866 3 1156.3514202 -41509130350-2 2 49 2 2 CH3CN, v8=1
30.696530 .00000 -2.9855 3 1296.1517202 -41509130350-7 3 49 7 3 CH3CN, v8=1
30.696530 .00000 -2.9855 3 1296.1517202 -41509130350 7 3 49-7 3 CH3CN, v8=1
30.703789 .00000 -2.8684 3 1241.1118202 -41509130350 6 3 49 6 3 CH3CN, v8=1
30.707142 -.00001 -6.9847 3 941.5985166 41509130341 5 3 40 3 2 CH3CN, v8=1
30.710350 .00000 -2.7722 3 1195.9467202 -41509130350 5 3 49 5 3 CH3CN, v8=1
30.716589 .00000 -2.6970 3 1160.6721202 -41509130350 4 3 49-4 3 CH3CN, v8=1
30.716589 .00000 -2.6970 3 1160.6721202 -41509130350-4 3 49 4 3 CH3CN, v8=1
30.723373 .00000 -2.6427 3 1135.3105202 -41509130350 3 3 49 3 3 CH3CN, v8=1
30.732554 .00000 -2.6096 3 1119.9180202 -41509130350 2 3 49 2 3 CH3CN, v8=1
30.740813 .00000 -2.5980 3 1114.6997202 -41509130350 1 3 49-1 3 CH3CN, v8=1
30.756172 .00000 -6.3783 3 1029.5344190 41509130347 2 3 46 0 2 CH3CN, v8=1
30.969376 .00000 -6.9619 3 1246.5216218 41509130354 0 2 53 2 3 CH3CN, v8=1
30.984683 .00000 -6.7993 3 2120.4877206 4150913035113 7 5015 3 CH3CN, v8=1
31.063739 .00000 -7.1948 3 3295.2697206 4150913035120 2 50b0 2 CH3CN, v8=1
31.063739 .00000 -7.1948 3 3295.2697206 41509130351b0 2 5020 2 CH3CN, v8=1
31.070165 .00000 -7.2698 3 3323.2638206 4150913035122 3 50b2 3 CH3CN, v8=1
31.070165 .00000 -7.2698 3 3323.2638206 41509130351b2 3 5022 3 CH3CN, v8=1
31.087235 .00000 -6.7718 3 3096.1292206 4150913035119 2 5019 2 CH3CN, v8=1
31.093706 .00000 -6.8430 3 3122.8316206 4150913035121 3 5021 3 CH3CN, v8=1
31.109637 .00000 -6.3690 3 2906.4687206 4150913035118 2 5018 2 CH3CN, v8=1
31.116161 .00000 -6.4365 3 2931.8731206 4150913035120 3 5020 3 CH3CN, v8=1
31.130940 .00000 -5.9868 3 2726.3281206 4150913035117 2 50a7 2 CH3CN, v8=1
31.130940 .00000 -5.9868 3 2726.3281206 41509130351a7 2 5017 2 CH3CN, v8=1
31.137524 .00000 -6.0503 3 2750.4267206 4150913035119 3 50a9 3 CH3CN, v8=1
31.137524 .00000 -6.0503 3 2750.4267206 41509130351a9 3 5019 3 CH3CN, v8=1
31.151152 .00000 -5.6246 3 2555.7478206 4150913035116 2 5016 2 CH3CN, v8=1
31.157789 .00000 -5.6847 3 2578.5295206 4150913035118 3 5018 3 CH3CN, v8=1
31.170374 .00000 -5.2831 3 2394.7776206 4150913035115 2 5015 2 CH3CN, v8=1
31.176953 .00000 -5.3395 3 2416.2171206 4150913035117 3 5017 3 CH3CN, v8=1
31.192598 .00000 -4.9626 3 2243.6319206 4150913035114 2 50a4 2 CH3CN, v8=1
31.192598 .00000 -4.9626 3 2243.6319206 41509130351a4 2 5014 2 CH3CN, v8=1
31.195011 .00000 -5.0147 3 2263.5234206 4150913035116 3 50a6 3 CH3CN, v8=1
31.195011 .00000 -5.0147 3 2263.5234206 41509130351a6 3 5016 3 CH3CN, v8=1
31.207318 .00000 -4.6611 3 2101.4384206 4150913035113 2 5013 2 CH3CN, v8=1
31.217256 .00000 -4.7141 3 2120.4877206 4150913035115 3 5015 3 CH3CN, v8=1
31.220757 .00000 -4.3814 3 1969.4849206 4150913035112 2 5012 2 CH3CN, v8=1
31.227773 .00000 -4.4272 3 1987.1190206 4150913035114 3 5014 3 CH3CN, v8=1
31.235056 .00000 -4.1224 3 1847.1816206 4150913035111 2 50a1 2 CH3CN, v8=1
31.235056 .00000 -4.1224 3 1847.1816206 41509130351a1 2 5011 2 CH3CN, v8=1
31.242497 .00000 -4.1644 3 1863.4679206 4150913035113 3 50a3 3 CH3CN, v8=1
31.242497 .00000 -4.1644 3 1863.4679206 41509130351a3 3 5013 3 CH3CN, v8=1
31.248272 .00000 -3.8838 3 1734.6055206 4150913035110 2 5010 2 CH3CN, v8=1
31.249279 -.00001 -6.5509 3 1015.5658186 41509130346 3 3 45 1 2 CH3CN, v8=1
31.256107 .00000 -3.9223 3 1749.5539206 4150913035112 3 5012 3 CH3CN, v8=1
31.260317 .00000 -3.6660 3 1631.7895206 41509130351 9 2 50 9 2 CH3CN, v8=1
31.262026 -.00001 -6.7776 3 985.0120178 41509130344-4 3 43 2 2 CH3CN, v8=1
31.262026 -.00001 -6.7776 3 985.0120178 41509130344 4 3 43-2 2 CH3CN, v8=1
31.268618 .00000 -3.7010 3 1645.4019206 4150913035111 3 5011 3 CH3CN, v8=1
31.271154 .00000 -3.4690 3 1538.7584206 41509130351-8 2 50 8 2 CH3CN, v8=1
31.271154 .00000 -3.4690 3 1538.7584206 41509130351 8 2 50-8 2 CH3CN, v8=1
31.280033 .00000 -3.5005 3 1551.0351206 4150913035110 3 50a0 3 CH3CN, v8=1
31.280033 .00000 -3.5005 3 1551.0351206 41509130351a0 3 5010 3 CH3CN, v8=1
31.280748 .00000 -3.2929 3 1455.5335206 41509130351 7 2 50 7 2 CH3CN, v8=1
31.289058 .00000 -3.1376 3 1382.1333206 41509130351 6 2 50 6 2 CH3CN, v8=1
31.290376 .00000 -3.3208 3 1466.4747206 41509130351 9 3 50 9 3 CH3CN, v8=1
31.293478 .00000 -2.6354 3 1143.9403206 41509130351 1 3 50-1 3 CH3CN, v8=1
31.296020 .00000 -3.0031 3 1318.5735206 41509130351-5 2 50 5 2 CH3CN, v8=1
31.296020 .00000 -3.0031 3 1318.5735206 41509130351 5 2 50-5 2 CH3CN, v8=1
31.299679 .00000 -3.1620 3 1391.7399206 41509130351 8 3 50 8 3 CH3CN, v8=1
31.300329 .00000 -2.6450 3 1148.6268206 41509130351 0 2 50 0 2 CH3CN, v8=1
31.301527 .00000 -2.8896 3 1264.8672206 41509130351 4 2 50 4 2 CH3CN, v8=1
31.305388 .00000 -2.7970 3 1221.0239206 41509130351 3 2 50 3 2 CH3CN, v8=1
31.306109 .00000 -2.6747 3 1162.9309206 41509130351 1 2 50 1 2 CH3CN, v8=1
31.307209 .00000 -2.7254 3 1187.0477206 41509130351-2 2 50 2 2 CH3CN, v8=1
31.307209 .00000 -2.7254 3 1187.0477206 41509130351 2 2 50-2 2 CH3CN, v8=1
31.307997 .00000 -3.0240 3 1326.8482206 41509130351-7 3 50 7 3 CH3CN, v8=1
31.307997 .00000 -3.0240 3 1326.8482206 41509130351 7 3 50-7 3 CH3CN, v8=1
31.315429 .00000 -2.9070 3 1271.8156206 41509130351 6 3 50 6 3 CH3CN, v8=1
31.322163 .00000 -2.8109 3 1226.6571206 41509130351 5 3 50 5 3 CH3CN, v8=1
31.328587 .00000 -2.7357 3 1191.3887206 41509130351-4 3 50 4 3 CH3CN, v8=1
31.328587 .00000 -2.7357 3 1191.3887206 41509130351 4 3 50-4 3 CH3CN, v8=1
31.335578 .00000 -2.6815 3 1166.0339206 41509130351 3 3 50 3 3 CH3CN, v8=1
31.344894 .00000 -2.6484 3 1150.6506206 41509130351 2 3 50 2 3 CH3CN, v8=1
31.352925 .00000 -2.6369 3 1145.4405206 41509130351-1 3 50 1 3 CH3CN, v8=1
31.407102 .00000 -6.4296 3 1058.3908194 41509130348 2 3 47 0 2 CH3CN, v8=1
31.576327 .00000 -6.7581 3 2120.1286206 4150913035115 3 5013 7 CH3CN, v8=1
31.670287 .00000 -7.2319 3 3326.3334210 4150913035220 2 51b0 2 CH3CN, v8=1
31.670287 .00000 -7.2319 3 3326.3334210 41509130352b0 2 5120 2 CH3CN, v8=1
31.694213 .00000 -6.8093 3 3127.2164210 4150913035219 2 5119 2 CH3CN, v8=1
31.700924 .00000 -6.8798 3 3153.9253210 4150913035221 3 5121 3 CH3CN, v8=1
31.710697 .00000 -5.8927 3 2151.7050210 4150913035213 7 5115 3 CH3CN, v8=1
31.717025 .00000 -6.4069 3 2937.5784210 4150913035218 2 5118 2 CH3CN, v8=1
31.723797 .00000 -6.4737 3 2962.9893210 4150913035220 3 5120 3 CH3CN, v8=1
31.738717 .00000 -6.0250 3 2757.4590210 4150913035217 2 51a7 2 CH3CN, v8=1
31.738717 .00000 -6.0250 3 2757.4590210 41509130352a7 2 5117 2 CH3CN, v8=1
31.745558 .00000 -6.0883 3 2781.5642210 4150913035219 3 51a9 3 CH3CN, v8=1
31.745558 .00000 -6.0883 3 2781.5642210 41509130352a9 3 5119 3 CH3CN, v8=1
31.759298 .00000 -5.6631 3 2586.8990210 4150913035216 2 5116 2 CH3CN, v8=1
31.766202 .00000 -5.7226 3 2609.6873210 4150913035218 3 5118 3 CH3CN, v8=1
31.778871 .00000 -5.3219 3 2425.9480210 4150913035215 2 5115 2 CH3CN, v8=1
31.785724 .00000 -5.3777 3 2447.3941210 4150913035217 3 5117 3 CH3CN, v8=1
31.801649 .00000 -5.0016 3 2274.8245210 4150913035214 2 51a4 2 CH3CN, v8=1
31.801649 .00000 -5.0016 3 2274.8245210 41509130352a4 2 5114 2 CH3CN, v8=1
31.804122 .00000 -5.0533 3 2294.7184210 4150913035216 3 51a6 3 CH3CN, v8=1
31.804122 .00000 -5.0533 3 2294.7184210 41509130352a6 3 5116 3 CH3CN, v8=1
31.816709 .00000 -4.7003 3 2132.6457210 4150913035213 2 5113 2 CH3CN, v8=1
31.830159 .00000 -4.4209 3 2000.7057210 4150913035212 2 5112 2 CH3CN, v8=1
31.837501 .00000 -4.4663 3 2018.3468210 4150913035214 3 5114 3 CH3CN, v8=1
31.839263 .00000 -4.7814 3 2151.7050210 4150913035215 3 5115 3 CH3CN, v8=1
31.844714 .00000 -4.1619 3 1878.4166210 4150913035211 2 51a1 2 CH3CN, v8=1
31.844714 .00000 -4.1619 3 1878.4166210 41509130352a1 2 5111 2 CH3CN, v8=1
31.852505 .00000 -4.2037 3 1894.7104210 4150913035213 3 51a3 3 CH3CN, v8=1
31.852505 .00000 -4.2037 3 1894.7104210 41509130352a3 3 5113 3 CH3CN, v8=1
31.858164 .00000 -3.9236 3 1765.8538210 4150913035210 2 5110 2 CH3CN, v8=1
31.866377 .00000 -3.9619 3 1780.8100210 4150913035212 3 5112 3 CH3CN, v8=1
31.870420 .00000 -3.7060 3 1663.0499210 41509130352 9 2 51 9 2 CH3CN, v8=1
31.879129 .00000 -3.7409 3 1676.6705210 4150913035211 3 5111 3 CH3CN, v8=1
31.881442 .00000 -3.5091 3 1570.0296210 41509130352-8 2 51 8 2 CH3CN, v8=1
31.881442 .00000 -3.5091 3 1570.0296210 41509130352 8 2 51-8 2 CH3CN, v8=1
31.884777 -.00001 -6.5795 3 1043.8162190 41509130347 3 3 46 1 2 CH3CN, v8=1
31.889177 -.00001 -6.7956 3 1012.0394182 41509130345 4 3 44-2 2 CH3CN, v8=1
31.889177 -.00001 -6.7956 3 1012.0393182 41509130345-4 3 44 2 2 CH3CN, v8=1
31.890770 .00000 -3.5404 3 1582.3152210 4150913035210 3 51a0 3 CH3CN, v8=1
31.890770 .00000 -3.5404 3 1582.3152210 41509130352a0 3 5110 3 CH3CN, v8=1
31.891196 .00000 -3.3331 3 1486.8143210 41509130352 7 2 51 7 2 CH3CN, v8=1
31.899637 .00000 -3.1779 3 1413.4223210 41509130352 6 2 51 6 2 CH3CN, v8=1
31.901321 .00000 -3.3609 3 1497.7651210 41509130352 9 3 51 9 3 CH3CN, v8=1
31.904307 .00000 -2.6759 3 1175.2338210 41509130352-1 3 51 1 3 CH3CN, v8=1
31.906699 .00000 -3.0435 3 1349.8695210 41509130352-5 2 51 5 2 CH3CN, v8=1
31.906699 .00000 -3.0435 3 1349.8695210 41509130352 5 2 51-5 2 CH3CN, v8=1
31.910817 .00000 -3.2022 3 1423.0396210 41509130352 8 3 51 8 3 CH3CN, v8=1
31.910912 .00000 -2.6856 3 1179.9271210 41509130352 0 2 51 0 2 CH3CN, v8=1
31.912271 .00000 -2.9301 3 1296.1687210 41509130352 4 2 51 4 2 CH3CN, v8=1
31.916153 .00000 -2.8376 3 1252.3293210 41509130352 3 2 51 3 2 CH3CN, v8=1
31.916745 .00000 -2.7153 3 1194.2370210 41509130352 1 2 51 1 2 CH3CN, v8=1
31.917940 .00000 -2.7660 3 1218.3549210 41509130352 2 2 51-2 2 CH3CN, v8=1
31.917940 .00000 -2.7660 3 1218.3549210 41509130352-2 2 51 2 2 CH3CN, v8=1
31.919317 .00000 -3.0643 3 1358.1562210 41509130352-7 3 51 7 3 CH3CN, v8=1
31.919317 .00000 -3.0643 3 1358.1562210 41509130352 7 3 51-7 3 CH3CN, v8=1
31.926923 .00000 -2.9474 3 1303.1310210 41509130352 6 3 51 6 3 CH3CN, v8=1
31.933831 .00000 -2.8514 3 1257.9792210 41509130352 5 3 51 5 3 CH3CN, v8=1
31.940441 .00000 -2.7763 3 1222.7173210 41509130352 4 3 51-4 3 CH3CN, v8=1
31.940441 .00000 -2.7763 3 1222.7173210 41509130352-4 3 51 4 3 CH3CN, v8=1
31.947635 .00000 -2.7222 3 1197.3695210 41509130352 3 3 51 3 3 CH3CN, v8=1
31.957070 .00000 -2.6891 3 1181.9954210 41509130352 2 3 51 2 3 CH3CN, v8=1
31.964876 .00000 -2.6776 3 1176.7934210 41509130352 1 3 51-1 3 CH3CN, v8=1
32.059498 .00000 -6.4837 3 1087.8585198 41509130349 2 3 48 0 2 CH3CN, v8=1
32.071836 .00000 -5.8684 3 2151.4724210 4150913035215 3 5113 7 CH3CN, v8=1
32.276687 .00000 -7.2709 3 3358.0037214 4150913035320 2 52b0 2 CH3CN, v8=1
32.276687 .00000 -7.2709 3 3358.0037214 41509130353b0 2 5220 2 CH3CN, v8=1
32.301041 .00000 -6.8486 3 3158.9106214 4150913035319 2 5219 2 CH3CN, v8=1
32.307997 .00000 -6.9185 3 3185.6262214 4150913035321 3 5221 3 CH3CN, v8=1
32.324261 .00000 -6.4466 3 2969.2954214 4150913035318 2 5218 2 CH3CN, v8=1
32.331287 .00000 -6.5128 3 2994.7130214 4150913035320 3 5220 3 CH3CN, v8=1
32.346341 .00000 -6.0649 3 2789.1978214 4150913035317 2 52a7 2 CH3CN, v8=1
32.346341 .00000 -6.0649 3 2789.1978214 41509130353a7 2 5217 2 CH3CN, v8=1
32.353445 .00000 -6.1278 3 2813.3098214 4150913035319 3 52a9 3 CH3CN, v8=1
32.353445 .00000 -6.1278 3 2813.3098214 41509130353a9 3 5219 3 CH3CN, v8=1
32.367288 .00000 -5.7034 3 2618.6583214 4150913035316 2 5216 2 CH3CN, v8=1
32.369614 .00000 -5.3320 3 2183.5442214 4150913035315 3 5215 3 CH3CN, v8=1
32.374467 .00000 -5.7624 3 2641.4535214 4150913035318 3 5218 3 CH3CN, v8=1
32.387211 .00000 -5.3625 3 2457.7268214 4150913035315 2 5215 2 CH3CN, v8=1
32.394346 .00000 -5.4178 3 2479.1798214 4150913035317 3 5217 3 CH3CN, v8=1
32.410558 .00000 -5.0424 3 2306.6262214 4150913035314 2 52a4 2 CH3CN, v8=1
32.410558 .00000 -5.0424 3 2306.6262214 41509130353a4 2 5214 2 CH3CN, v8=1
32.413082 .00000 -5.0937 3 2326.5225214 4150913035316 3 52a6 3 CH3CN, v8=1
32.413082 .00000 -5.0937 3 2326.5225214 41509130353a6 3 5216 3 CH3CN, v8=1
32.426051 .00000 -4.7416 3 2164.4624214 4150913035313 2 5213 2 CH3CN, v8=1
32.439400 .00000 -4.4621 3 2032.5358214 4150913035312 2 5212 2 CH3CN, v8=1
32.447078 .00000 -4.5072 3 2050.1843214 4150913035314 3 5214 3 CH3CN, v8=1
32.454210 .00000 -4.2034 3 1910.2614214 4150913035311 2 52a1 2 CH3CN, v8=1
32.454210 .00000 -4.2034 3 1910.2614214 41509130353a1 2 5211 2 CH3CN, v8=1
32.462361 .00000 -4.2448 3 1926.5629214 4150913035313 3 52a3 3 CH3CN, v8=1
32.462361 .00000 -4.2448 3 1926.5629214 41509130353a3 3 5213 3 CH3CN, v8=1
32.467893 .00000 -3.9652 3 1797.7120214 4150913035310 2 5210 2 CH3CN, v8=1
32.476495 .00000 -4.0032 3 1812.6764214 4150913035312 3 5212 3 CH3CN, v8=1
32.480357 .00000 -3.7477 3 1694.9203214 41509130353 9 2 52 9 2 CH3CN, v8=1
32.489489 .00000 -3.7822 3 1708.5497214 4150913035311 3 5211 3 CH3CN, v8=1
32.491564 .00000 -3.5510 3 1601.9110214 41509130353-8 2 52 8 2 CH3CN, v8=1
32.491564 .00000 -3.5510 3 1601.9110214 41509130353 8 2 52-8 2 CH3CN, v8=1
32.498179 .00000 -4.9344 3 2183.4157214 -4150913035315 3 5213 7 CH3CN, v8=1
32.501354 .00000 -3.5820 3 1614.2059214 4150913035310 3 52a0 3 CH3CN, v8=1
32.501354 .00000 -3.5820 3 1614.2059214 41509130353a0 3 5210 3 CH3CN, v8=1
32.501476 .00000 -3.3751 3 1518.7055214 41509130353 7 2 52 7 2 CH3CN, v8=1
32.505573 .00000 -4.9344 3 2183.5442214 4150913035313 7 5215 3 CH3CN, v8=1
32.510046 .00000 -3.2200 3 1445.3219214 41509130353 6 2 52 6 2 CH3CN, v8=1
32.512114 .00000 -3.4027 3 1529.6664214 41509130353 9 3 52 9 3 CH3CN, v8=1
32.514975 .00000 -2.7183 3 1207.1381214 41509130353 1 3 52-1 3 CH3CN, v8=1
32.517114 -.00001 -6.8161 3 1039.6786186 41509130346-4 3 45 2 2 CH3CN, v8=1
32.517114 -.00001 -6.8161 3 1039.6786186 41509130346 4 3 45-2 2 CH3CN, v8=1
32.517207 .00000 -3.0857 3 1381.7762214 41509130353-5 2 52 5 2 CH3CN, v8=1
32.517207 .00000 -3.0857 3 1381.7762214 41509130353 5 2 52-5 2 CH3CN, v8=1
32.521337 .00000 -2.7279 3 1211.8380214 41509130353 0 2 52 0 2 CH3CN, v8=1
32.521433 -.00001 -6.6119 3 1072.6781194 41509130348 3 3 47 1 2 CH3CN, v8=1
32.521804 .00000 -3.2441 3 1454.9504214 41509130353 8 3 52 8 3 CH3CN, v8=1
32.522841 .00000 -2.9724 3 1328.0810214 41509130353 4 2 52 4 2 CH3CN, v8=1
32.526742 .00000 -2.8799 3 1284.2455214 41509130353 3 2 52 3 2 CH3CN, v8=1
32.527208 .00000 -2.7577 3 1226.1538214 41509130353 1 2 52 1 2 CH3CN, v8=1
32.528495 .00000 -2.8083 3 1250.2729214 41509130353-2 2 52 2 2 CH3CN, v8=1
32.528495 .00000 -2.8083 3 1250.2729214 41509130353 2 2 52-2 2 CH3CN, v8=1
32.530486 .00000 -3.1063 3 1390.0755214 41509130353-7 3 52 7 3 CH3CN, v8=1
32.530486 .00000 -3.1063 3 1390.0755214 41509130353 7 3 52-7 3 CH3CN, v8=1
32.538267 .00000 -2.9895 3 1335.0580214 41509130353 6 3 52 6 3 CH3CN, v8=1
32.545351 .00000 -2.8936 3 1289.9131214 41509130353 5 3 52 5 3 CH3CN, v8=1
32.552146 .00000 -2.8186 3 1254.6577214 41509130353-4 3 52 4 3 CH3CN, v8=1
32.552146 .00000 -2.8186 3 1254.6577214 41509130353 4 3 52-4 3 CH3CN, v8=1
32.559541 .00000 -2.7645 3 1229.3171214 41509130353 3 3 52 3 3 CH3CN, v8=1
32.569079 .00000 -2.7315 3 1213.9525214 41509130353 2 3 52 2 3 CH3CN, v8=1
32.576663 .00000 -2.7201 3 1208.7583214 41509130353-1 3 52 1 3 CH3CN, v8=1
32.713352 .00000 -6.5407 3 1117.9372202 41509130350 2 3 49 0 2 CH3CN, v8=1
32.907716 .00000 -6.8901 3 3191.2117218 4150913035419 2 5319 2 CH3CN, v8=1
32.914924 .00000 -6.9633 3 3217.9342218 4150913035421 3 5321 3 CH3CN, v8=1
32.919619 -.00001 -6.0590 3 2216.0498218 4150913035415 3 5313 7 CH3CN, v8=1
32.931342 .00000 -6.4882 3 3001.6197218 4150913035418 2 5318 2 CH3CN, v8=1
32.938629 .00000 -6.5539 3 3027.0443218 4150913035420 3 5320 3 CH3CN, v8=1
32.953807 .00000 -6.1068 3 2821.5441218 4150913035417 2 53a7 2 CH3CN, v8=1
32.953807 .00000 -6.1068 3 2821.5441218 41509130354a7 2 5317 2 CH3CN, v8=1
32.961183 .00000 -6.1691 3 2845.6632218 4150913035419 3 53a9 3 CH3CN, v8=1
32.961183 .00000 -6.1691 3 2845.6632218 41509130354a9 3 5319 3 CH3CN, v8=1
32.975120 .00000 -5.7456 3 2651.0256218 4150913035416 2 5316 2 CH3CN, v8=1
32.982585 -.00001 -5.8041 3 2673.8280218 -4150913035418 3 5318 3 CH3CN, v8=1
32.995393 .00000 -5.4049 3 2490.1140218 -4150913035415 2 5315 2 CH3CN, v8=1
33.002817 .00000 -5.4598 3 2511.5741218 -4150913035417 3 5317 3 CH3CN, v8=1
33.019324 .00000 -5.0851 3 2339.0367218 4150913035414 2 53a4 2 CH3CN, v8=1
33.019324 .00000 -5.0851 3 2339.0367218 41509130354a4 2 5314 2 CH3CN, v8=1
33.021891 .00000 -5.1360 3 2358.9356218 -4150913035416 3 53a6 3 CH3CN, v8=1
33.021891 .00000 -5.1360 3 2358.9356218 -41509130354a6 3 5316 3 CH3CN, v8=1
33.035413 .00000 -4.7844 3 2196.8885218 4150913035413 2 5313 2 CH3CN, v8=1
33.048479 .00000 -4.5052 3 2064.9752218 -4150913035412 2 5312 2 CH3CN, v8=1
33.055578 .00000 -4.8587 3 2215.9138218 -4150913035415 3 5315 3 CH3CN, v8=1
33.056500 .00000 -4.5499 3 2082.6314218 4150913035414 3 5314 3 CH3CN, v8=1
33.063541 .00000 -4.2465 3 1942.7156218 -4150913035411 2 53a1 2 CH3CN, v8=1
33.063541 .00000 -4.2465 3 1942.7156218 -41509130354a1 2 5311 2 CH3CN, v8=1
33.072064 .00000 -4.2880 3 1959.0253218 -4150913035413 3 53a3 3 CH3CN, v8=1
33.072064 .00000 -4.2880 3 1959.0253218 -41509130354a3 3 5313 3 CH3CN, v8=1
33.077455 .00000 -4.0086 3 1830.1799218 -4150913035410 2 5310 2 CH3CN, v8=1
33.086458 .00000 -4.0463 3 1845.1529218 -4150913035412 3 5312 3 CH3CN, v8=1
33.090127 .00000 -3.7913 3 1727.4006218 -41509130354 9 2 53 9 2 CH3CN, v8=1
33.099694 .00000 -3.8258 3 1741.0391218 -4150913035411 3 5311 3 CH3CN, v8=1
33.101515 .00000 -3.5946 3 1634.4026218 -41509130354-8 2 53 8 2 CH3CN, v8=1
33.101515 .00000 -3.5946 3 1634.4026218 -41509130354 8 2 53-8 2 CH3CN, v8=1
33.111584 .00000 -3.4189 3 1551.2069218 41509130354 7 2 53 7 2 CH3CN, v8=1
33.111784 .00000 -3.6255 3 1646.7073218 4150913035410 3 53a0 3 CH3CN, v8=1
33.111784 .00000 -3.6255 3 1646.7073218 41509130354a0 3 5310 3 CH3CN, v8=1
33.120283 .00000 -3.2639 3 1477.8320218 -41509130354 6 2 53 6 2 CH3CN, v8=1
33.122752 .00000 -3.4463 3 1562.1785218 -41509130354 9 3 53 9 3 CH3CN, v8=1
33.125478 .00000 -2.7623 3 1239.6530218 -41509130354-1 3 53 1 3 CH3CN, v8=1
33.127540 .00000 -3.1297 3 1414.2934218 -41509130354-5 2 53 5 2 CH3CN, v8=1
33.127540 .00000 -3.1297 3 1414.2934218 -41509130354 5 2 53-5 2 CH3CN, v8=1
33.131601 .00000 -2.7720 3 1244.3594218 -41509130354 0 2 53 0 2 CH3CN, v8=1
33.132637 .00000 -3.2878 3 1487.4722218 -41509130354 8 3 53 8 3 CH3CN, v8=1
33.133235 .00000 -3.0164 3 1360.6039218 -41509130354 4 2 53 4 2 CH3CN, v8=1
33.137153 .00000 -2.9239 3 1316.7722218 -41509130354 3 2 53 3 2 CH3CN, v8=1
33.137496 .00000 -2.8018 3 1258.6810218 -41509130354 1 2 53 1 2 CH3CN, v8=1
33.138871 .00000 -2.8524 3 1282.8014218 -41509130354 2 2 53-2 2 CH3CN, v8=1
33.138871 .00000 -2.8524 3 1282.8014218 -41509130354-2 2 53 2 2 CH3CN, v8=1
33.141501 .00000 -3.1502 3 1422.6060218 -41509130354-7 3 53 7 3 CH3CN, v8=1
33.141501 .00000 -3.1502 3 1422.6060218 -41509130354 7 3 53-7 3 CH3CN, v8=1
33.145865 -.00001 -6.8392 3 1067.9296190 41509130347 4 3 46-2 2 CH3CN, v8=1
33.145865 -.00001 -6.8392 3 1067.9296190 41509130347-4 3 46 2 2 CH3CN, v8=1
33.149458 .00000 -3.0334 3 1367.5962218 -41509130354 6 3 53 6 3 CH3CN, v8=1
33.156718 .00000 -2.9376 3 1322.4584218 -41509130354 5 3 53 5 3 CH3CN, v8=1
33.159271 -.00001 -6.6450 3 1102.1513198 41509130349 3 3 48 1 2 CH3CN, v8=1
33.163699 .00000 -2.8626 3 1287.2099218 -41509130354 4 3 53-4 3 CH3CN, v8=1
33.163699 .00000 -2.8626 3 1287.2099218 -41509130354-4 3 53 4 3 CH3CN, v8=1
33.171291 .00000 -2.8086 3 1261.8767218 -41509130354 3 3 53 3 3 CH3CN, v8=1
33.180916 .00000 -2.7756 3 1246.5216218 -41509130354 2 3 53 2 3 CH3CN, v8=1
33.188283 .00000 -2.7642 3 1241.3349218 -41509130354 1 3 53-1 3 CH3CN, v8=1
33.305045 -.00001 -6.0358 3 2215.9138218 4150913035413 7 5315 3 CH3CN, v8=1
33.368654 .00000 -6.6004 3 1148.6268206 41509130351 2 3 50 0 2 CH3CN, v8=1
33.514234 .00000 -6.9334 3 3224.1194222 4150913035519 2 5419 2 CH3CN, v8=1
33.538265 .00000 -6.5316 3 3034.5510222 4150913035518 2 5418 2 CH3CN, v8=1
33.545820 .00000 -6.5968 3 3059.9830222 4150913035520 3 5420 3 CH3CN, v8=1
33.561114 .00000 -6.1505 3 2854.4979222 4150913035517 2 54a7 2 CH3CN, v8=1
33.561114 .00000 -6.1505 3 2854.4979222 41509130355a7 2 5417 2 CH3CN, v8=1
33.568769 .00000 -6.2121 3 2878.6244222 4150913035519 3 54a9 3 CH3CN, v8=1
33.568769 .00000 -6.2121 3 2878.6244222 41509130355a9 3 5419 3 CH3CN, v8=1
33.582790 .00000 -5.7896 3 2684.0007222 4150913035516 2 5416 2 CH3CN, v8=1
33.590541 .00000 -5.8476 3 2706.8106222 4150913035518 3 5418 3 CH3CN, v8=1
33.603409 .00000 -5.4491 3 2523.1094222 4150913035515 2 5415 2 CH3CN, v8=1
33.611133 .00000 -5.5036 3 2544.5769222 4150913035517 3 5417 3 CH3CN, v8=1
33.627944 .00000 -5.1295 3 2372.0561222 4150913035514 2 54a4 2 CH3CN, v8=1
33.627944 .00000 -5.1295 3 2372.0561222 41509130355a4 2 5414 2 CH3CN, v8=1
33.630543 .00000 -5.1800 3 2391.9575222 4150913035516 3 54a6 3 CH3CN, v8=1
33.630543 .00000 -5.1800 3 2391.9575222 41509130355a6 3 5416 3 CH3CN, v8=1
33.644929 .00000 -4.8301 3 2229.9239222 4150913035513 2 5413 2 CH3CN, v8=1
33.653655 .00000 -4.8799 3 2248.9694222 4150913035515 3 5415 3 CH3CN, v8=1
33.657385 .00000 -4.5500 3 2098.0237222 -4150913035512 2 5412 2 CH3CN, v8=1
33.665766 .00000 -4.5945 3 2115.6879222 4150913035514 3 5414 3 CH3CN, v8=1
33.672704 .00000 -4.2915 3 1975.7791222 -4150913035511 2 54a1 2 CH3CN, v8=1
33.672704 .00000 -4.2915 3 1975.7791222 -41509130355a1 2 5411 2 CH3CN, v8=1
33.681608 .00000 -4.3325 3 1992.0973222 -4150913035513 3 54a3 3 CH3CN, v8=1
33.681608 .00000 -4.3325 3 1992.0973222 -41509130355a3 3 5413 3 CH3CN, v8=1
33.686846 .00000 -4.0537 3 1863.2573222 -4150913035510 2 5410 2 CH3CN, v8=1
33.696263 .00000 -4.0912 3 1878.2393222 -4150913035512 3 5412 3 CH3CN, v8=1
33.699724 .00000 -3.8365 3 1760.4908222 -41509130355 9 2 54 9 2 CH3CN, v8=1
33.709740 .00000 -3.8710 3 1774.1388222 -4150913035511 3 5411 3 CH3CN, v8=1
33.711294 .00000 -3.6400 3 1667.5041222 -41509130355-8 2 54 8 2 CH3CN, v8=1
33.711294 .00000 -3.6400 3 1667.5041222 -41509130355 8 2 54-8 2 CH3CN, v8=1
33.721518 .00000 -3.4644 3 1584.3185222 -41509130355 7 2 54 7 2 CH3CN, v8=1
33.722055 .00000 -3.6707 3 1679.8191222 -4150913035510 3 54a0 3 CH3CN, v8=1
33.722055 .00000 -3.6707 3 1679.8191222 -41509130355a0 3 5410 3 CH3CN, v8=1
33.730343 .00000 -3.3094 3 1510.9523222 -41509130355 6 2 54 6 2 CH3CN, v8=1
33.733232 .00000 -3.4916 3 1595.3013222 -41509130355 9 3 54 9 3 CH3CN, v8=1
33.735814 .00000 -2.8081 3 1272.7785222 -41509130355 1 3 54-1 3 CH3CN, v8=1
33.737695 .00000 -3.1753 3 1447.4209222 -41509130355-5 2 54 5 2 CH3CN, v8=1
33.737695 .00000 -3.1753 3 1447.4209222 -41509130355 5 2 54-5 2 CH3CN, v8=1
33.741703 .00000 -2.8178 3 1277.4910222 -41509130355 0 2 54 0 2 CH3CN, v8=1
33.743311 .00000 -3.3332 3 1520.6049222 41509130355 8 3 54 8 3 CH3CN, v8=1
33.743449 .00000 -3.0621 3 1393.7371222 41509130355 4 2 54 4 2 CH3CN, v8=1
33.747384 .00000 -2.9697 3 1349.9094222 -41509130355 3 2 54 3 2 CH3CN, v8=1
33.747607 .00000 -2.8476 3 1291.8185222 -41509130355 1 2 54 1 2 CH3CN, v8=1
33.749066 .00000 -2.8982 3 1315.9403222 -41509130355-2 2 54 2 2 CH3CN, v8=1
33.749066 .00000 -2.8982 3 1315.9403222 -41509130355 2 2 54-2 2 CH3CN, v8=1
33.752359 .00000 -3.1957 3 1455.7475222 -41509130355-7 3 54 7 3 CH3CN, v8=1
33.752359 .00000 -3.1957 3 1455.7475222 -41509130355 7 3 54-7 3 CH3CN, v8=1
33.760493 .00000 -3.0791 3 1400.7457222 -41509130355 6 3 54 6 3 CH3CN, v8=1
33.767930 .00000 -2.9833 3 1355.6151222 -41509130355 5 3 54 5 3 CH3CN, v8=1
33.775098 .00000 -2.9084 3 1320.3736222 -41509130355-4 3 54 4 3 CH3CN, v8=1
33.775098 .00000 -2.9084 3 1320.3736222 -41509130355 4 3 54-4 3 CH3CN, v8=1
33.775458 -.00001 -6.8647 3 1096.7922194 41509130348-4 3 47 2 2 CH3CN, v8=1
33.775459 -.00001 -6.8647 3 1096.7922194 41509130348 4 3 47-2 2 CH3CN, v8=1
33.782880 .00000 -2.8544 3 1295.0480222 -41509130355 3 3 54 3 3 CH3CN, v8=1
33.792579 .00000 -2.8215 3 1279.7025222 -41509130355 2 3 54 2 3 CH3CN, v8=1
33.798317 -.00001 -6.6899 3 1132.2356202 41509130350 3 3 49 1 2 CH3CN, v8=1
33.799733 .00000 -2.8102 3 1274.5232222 -41509130355-1 3 54 1 3 CH3CN, v8=1
34.025395 .00000 -6.6626 3 1179.9271210 41509130352 2 3 51 0 2 CH3CN, v8=1
34.145026 .00000 -6.5768 3 3068.0893226 4150913035618 2 5518 2 CH3CN, v8=1
34.152856 .00000 -6.6415 3 3093.5288226 4150913035620 3 5520 3 CH3CN, v8=1
34.168261 -.00001 -6.1959 3 2888.0590226 -4150913035617 2 55a7 2 CH3CN, v8=1
34.168261 -.00001 -6.1959 3 2888.0590226 -41509130356a7 2 5517 2 CH3CN, v8=1
34.176204 -.00001 -6.2572 3 2912.1932226 -4150913035619 3 55a9 3 CH3CN, v8=1
34.176204 -.00001 -6.2572 3 2912.1932226 -41509130356a9 3 5519 3 CH3CN, v8=1
34.190296 .00000 -5.8353 3 2717.5835226 4150913035616 2 5516 2 CH3CN, v8=1
34.198346 .00000 -5.8930 3 2740.4011226 4150913035618 3 5518 3 CH3CN, v8=1
34.211267 -.00001 -5.4951 3 2556.7128226 -4150913035615 2 5515 2 CH3CN, v8=1
34.219292 .00000 -5.5492 3 2578.1881226 4150913035617 3 5517 3 CH3CN, v8=1
34.236417 .00000 -5.1757 3 2405.6840226 4150913035614 2 55a4 2 CH3CN, v8=1
34.236417 .00000 -5.1757 3 2405.6840226 41509130356a4 2 5514 2 CH3CN, v8=1
34.239038 .00000 -5.2259 3 2425.5880226 -4150913035616 3 55a6 3 CH3CN, v8=1
34.239038 .00000 -5.2259 3 2425.5880226 -41509130356a6 3 5516 3 CH3CN, v8=1
34.254890 .00000 -4.8774 3 2263.5688226 4150913035613 2 5513 2 CH3CN, v8=1
34.259823 .00000 -4.9236 3 2282.6231226 4150913035615 3 5515 3 CH3CN, v8=1
34.266126 .00000 -4.5966 3 2131.6811226 -4150913035612 2 5512 2 CH3CN, v8=1
34.274870 .00000 -4.6407 3 2149.3536226 -4150913035614 3 5514 3 CH3CN, v8=1
34.281692 .00000 -4.3383 3 2009.4518226 -4150913035611 2 55a1 2 CH3CN, v8=1
34.281692 .00000 -4.3383 3 2009.4518226 -41509130356a1 2 5511 2 CH3CN, v8=1
34.290993 .00000 -4.3790 3 2025.7790226 -4150913035613 3 55a3 3 CH3CN, v8=1
34.290993 .00000 -4.3790 3 2025.7790226 -41509130356a3 3 5513 3 CH3CN, v8=1
34.296065 .00000 -4.1006 3 1896.9442226 -4150913035610 2 5510 2 CH3CN, v8=1
34.305906 .00000 -4.1378 3 1911.9356226 -4150913035612 3 5512 3 CH3CN, v8=1
34.309147 .00000 -3.8834 3 1794.1905226 -41509130356 9 2 55 9 2 CH3CN, v8=1
34.319625 .00000 -3.9175 3 1807.8486226 -4150913035611 3 5511 3 CH3CN, v8=1
34.320896 .00000 -3.6871 3 1701.2154226 -41509130356-8 2 55 8 2 CH3CN, v8=1
34.320896 .00000 -3.6871 3 1701.2154226 -41509130356 8 2 55-8 2 CH3CN, v8=1
34.331273 .00000 -3.5116 3 1618.0400226 -41509130356 7 2 55 7 2 CH3CN, v8=1
34.332166 .00000 -3.7176 3 1713.5411226 -4150913035610 3 55a0 3 CH3CN, v8=1
34.332166 .00000 -3.7176 3 1713.5411226 -41509130356a0 3 5510 3 CH3CN, v8=1
34.340224 .00000 -3.3567 3 1544.6826226 -41509130356 6 2 55 6 2 CH3CN, v8=1
34.343551 .00000 -3.5386 3 1629.0345226 -41509130356 9 3 55 9 3 CH3CN, v8=1
34.345979 .00000 -2.8556 3 1306.5143226 -41509130356-1 3 55 1 3 CH3CN, v8=1
34.347669 .00000 -3.2227 3 1481.1586226 -41509130356-5 2 55 5 2 CH3CN, v8=1
34.347669 .00000 -3.2227 3 1481.1586226 -41509130356 5 2 55-5 2 CH3CN, v8=1
34.351639 .00000 -2.8653 3 1311.2327226 -41509130356 0 2 55 0 2 CH3CN, v8=1
34.353481 .00000 -3.1095 3 1427.4805226 -41509130356 4 2 55 4 2 CH3CN, v8=1
34.353825 .00000 -3.3804 3 1554.3482226 -41509130356 8 3 55 8 3 CH3CN, v8=1
34.357430 .00000 -3.0172 3 1383.6568226 41509130356 3 2 55 3 2 CH3CN, v8=1
34.357538 .00000 -2.8952 3 1325.5661226 41509130356 1 2 55 1 2 CH3CN, v8=1
34.359075 .00000 -2.9457 3 1349.6893226 -41509130356 2 2 55-2 2 CH3CN, v8=1
34.359075 .00000 -2.9457 3 1349.6893226 -41509130356-2 2 55 2 2 CH3CN, v8=1
34.363057 .00000 -3.2430 3 1489.4999226 -41509130356-7 3 55 7 3 CH3CN, v8=1
34.363057 .00000 -3.2430 3 1489.4999226 -41509130356 7 3 55-7 3 CH3CN, v8=1
34.371369 .00000 -3.1264 3 1434.5062226 -41509130356 6 3 55 6 3 CH3CN, v8=1
34.378983 .00000 -3.0307 3 1389.3831226 -41509130356 5 3 55 5 3 CH3CN, v8=1
34.386338 .00000 -2.9559 3 1354.1487226 -41509130356 4 3 55-4 3 CH3CN, v8=1
34.386338 .00000 -2.9559 3 1354.1487226 -41509130356-4 3 55 4 3 CH3CN, v8=1
34.394306 .00000 -2.9019 3 1328.8308226 -41509130356 3 3 55 3 3 CH3CN, v8=1
34.404064 .00000 -2.8691 3 1313.4951226 -41509130356 2 3 55 2 3 CH3CN, v8=1
34.405921 -.00001 -6.8928 3 1126.2662198 41509130349 4 3 48-2 2 CH3CN, v8=1
34.405922 -.00001 -6.8928 3 1126.2662198 41509130349-4 3 48 2 2 CH3CN, v8=1
34.411011 .00000 -2.8578 3 1308.3230226 -41509130356 1 3 55-1 3 CH3CN, v8=1
34.438593 -.00001 -6.7214 3 1162.9309206 41509130351 3 3 50 1 2 CH3CN, v8=1
34.683562 .00000 -6.7274 3 1211.8380214 41509130353 2 3 52 0 2 CH3CN, v8=1
34.751624 .00000 -6.6239 3 3102.2343230 4150913035718 2 5618 2 CH3CN, v8=1
34.759736 .00000 -6.6881 3 3127.6816230 4150913035720 3 5620 3 CH3CN, v8=1
34.775236 .00000 -6.2433 3 2922.2273230 4150913035717 2 56a7 2 CH3CN, v8=1
34.775236 .00000 -6.2433 3 2922.2273230 41509130357a7 2 5617 2 CH3CN, v8=1
34.783471 .00000 -6.3040 3 2946.3694230 4150913035719 3 56a9 3 CH3CN, v8=1
34.783471 .00000 -6.3040 3 2946.3694230 41509130357a9 3 5619 3 CH3CN, v8=1
34.797635 .00000 -5.8828 3 2751.7738230 4150913035716 2 5616 2 CH3CN, v8=1
34.805990 .00000 -5.9401 3 2774.5995230 4150913035718 3 5618 3 CH3CN, v8=1
34.818944 .00000 -5.5428 3 2590.9241230 4150913035715 2 5615 2 CH3CN, v8=1
34.827291 .00000 -5.6084 3 2612.4074230 4150913035717 3 5617 3 CH3CN, v8=1
34.844746 .00000 -5.2237 3 2439.9204230 -4150913035714 2 56a4 2 CH3CN, v8=1
34.844746 .00000 -5.2237 3 2439.9204230 -41509130357a4 2 5614 2 CH3CN, v8=1
34.847370 .00000 -5.2735 3 2459.8271230 -4150913035716 3 56a6 3 CH3CN, v8=1
34.847370 .00000 -5.2735 3 2459.8271230 -41509130357a6 3 5616 3 CH3CN, v8=1
34.865991 .00000 -4.9245 3 2297.8237230 4150913035713 2 5613 2 CH3CN, v8=1
34.867492 .00000 -4.9710 3 2316.8829230 -4150913035715 3 5615 3 CH3CN, v8=1
34.874692 .00000 -4.6448 3 2165.9472230 -4150913035712 2 5612 2 CH3CN, v8=1
34.883816 .00000 -4.6887 3 2183.6285230 -4150913035714 3 5614 3 CH3CN, v8=1
34.890507 .00000 -4.3867 3 2043.7335230 -4150913035711 2 56a1 2 CH3CN, v8=1
34.890507 .00000 -4.3867 3 2043.7335230 -41509130357a1 2 5611 2 CH3CN, v8=1
34.900214 .00000 -4.4271 3 2060.0699230 -4150913035713 3 56a3 3 CH3CN, v8=1
34.900214 .00000 -4.4271 3 2060.0699230 -41509130357a3 3 5613 3 CH3CN, v8=1
34.905107 .00000 -4.1491 3 1931.2402230 -4150913035710 2 5610 2 CH3CN, v8=1
34.915387 .00000 -4.1862 3 1946.2415230 -4150913035712 3 5612 3 CH3CN, v8=1
34.918394 .00000 -3.9324 3 1828.4996230 -41509130357 9 2 56 9 2 CH3CN, v8=1
34.929348 .00000 -3.9659 3 1842.1682230 -4150913035711 3 5611 3 CH3CN, v8=1
34.930320 .00000 -3.7360 3 1735.5363230 -41509130357-8 2 56 8 2 CH3CN, v8=1
34.930320 .00000 -3.7360 3 1735.5363230 -41509130357 8 2 56-8 2 CH3CN, v8=1
34.940848 .00000 -3.5605 3 1652.3713230 -41509130357 7 2 56 7 2 CH3CN, v8=1
34.942112 .00000 -3.7663 3 1747.8733230 -4150913035710 3 56a0 3 CH3CN, v8=1
34.942112 .00000 -3.7663 3 1747.8733230 -41509130357a0 3 5610 3 CH3CN, v8=1
34.949922 .00000 -3.4057 3 1579.0228230 -41509130357 6 2 56 6 2 CH3CN, v8=1
34.953706 .00000 -3.5874 3 1663.3781230 -41509130357 9 3 56 9 3 CH3CN, v8=1
34.955971 .00000 -2.9048 3 1340.8603230 -41509130357 1 3 56-1 3 CH3CN, v8=1
34.957460 .00000 -3.2718 3 1515.5063230 -41509130357-5 2 56 5 2 CH3CN, v8=1
34.957460 .00000 -3.2718 3 1515.5063230 -41509130357 5 2 56-5 2 CH3CN, v8=1
34.961408 .00000 -2.9145 3 1345.5843230 -41509130357 0 2 56 0 2 CH3CN, v8=1
34.963327 .00000 -3.1587 3 1461.8340230 -41509130357 4 2 56 4 2 CH3CN, v8=1
34.964175 .00000 -3.4293 3 1588.7020230 -41509130357 8 3 56 8 3 CH3CN, v8=1
34.967288 .00000 -2.9443 3 1359.9236230 -41509130357 1 2 56 1 2 CH3CN, v8=1
34.967288 .00000 -3.0664 3 1418.0142230 -41509130357 3 2 56 3 2 CH3CN, v8=1
34.968899 .00000 -2.9949 3 1384.0484230 -41509130357-2 2 56 2 2 CH3CN, v8=1
34.968899 .00000 -2.9949 3 1384.0484230 -41509130357 2 2 56-2 2 CH3CN, v8=1
34.973592 .00000 -3.2919 3 1523.8629230 -41509130357-7 3 56 7 3 CH3CN, v8=1
34.973592 .00000 -3.2919 3 1523.8629230 -41509130357 7 3 56-7 3 CH3CN, v8=1
34.982083 .00000 -3.1755 3 1468.8775230 -41509130357 6 3 56 6 3 CH3CN, v8=1
34.989875 .00000 -3.0798 3 1423.7620230 -41509130357 5 3 56 5 3 CH3CN, v8=1
34.997415 .00000 -3.0050 3 1388.5350230 -41509130357-4 3 56 4 3 CH3CN, v8=1
34.997415 .00000 -3.0050 3 1388.5350230 -41509130357 4 3 56-4 3 CH3CN, v8=1
35.005564 .00000 -2.9512 3 1363.2251230 -41509130357 3 3 56 3 3 CH3CN, v8=1
35.015366 .00000 -2.9184 3 1347.8992230 41509130357 2 3 56 2 3 CH3CN, v8=1
35.022111 .00000 -2.9071 3 1342.7340230 41509130357-1 3 56 1 3 CH3CN, v8=1
35.037281 -.00001 -6.9232 3 1156.3514202 41509130350-4 3 49 2 2 CH3CN, v8=1
35.037281 -.00001 -6.9232 3 1156.3514202 41509130350 4 3 49-2 2 CH3CN, v8=1
35.080119 -.00001 -6.7636 3 1194.2370210 41509130352 3 3 51 1 2 CH3CN, v8=1
35.343141 .00000 -6.7946 3 1244.3594218 41509130354 2 3 53 0 2 CH3CN, v8=1
35.358055 .00000 -6.6726 3 3136.9859234 4150913035818 2 5718 2 CH3CN, v8=1
35.366456 .00000 -6.7364 3 3162.4414234 4150913035820 3 5720 3 CH3CN, v8=1
35.382046 .00000 -6.2932 3 2957.0025234 4150913035817 2 57a7 2 CH3CN, v8=1
35.382046 .00000 -6.2932 3 2957.0025234 41509130358a7 2 5717 2 CH3CN, v8=1
35.390581 .00000 -6.3526 3 2981.1529234 4150913035819 3 57a9 3 CH3CN, v8=1
35.390581 .00000 -6.3526 3 2981.1529234 41509130358a9 3 5719 3 CH3CN, v8=1
35.404804 .00000 -5.9321 3 2786.5714234 4150913035816 2 5716 2 CH3CN, v8=1
35.413473 .00000 -5.9890 3 2809.4054234 4150913035818 3 5718 3 CH3CN, v8=1
35.426455 .00000 -5.5923 3 2625.7431234 4150913035815 2 5715 2 CH3CN, v8=1
35.435125 .00000 -5.6576 3 2647.2347234 4150913035817 3 5717 3 CH3CN, v8=1
35.452922 .00000 -5.2733 3 2474.7652234 4150913035814 2 57a4 2 CH3CN, v8=1
35.452922 .00000 -5.2733 3 2474.7652234 41509130358a4 2 5714 2 CH3CN, v8=1
35.455539 .00000 -5.3228 3 2494.6744234 4150913035816 3 57a6 3 CH3CN, v8=1
35.455539 .00000 -5.3228 3 2494.6744234 41509130358a6 3 5716 3 CH3CN, v8=1
35.475506 .00000 -5.0205 3 2351.7504234 4150913035815 3 5715 3 CH3CN, v8=1
35.480143 .00000 -4.9773 3 2332.6897234 4150913035813 2 5713 2 CH3CN, v8=1
35.483080 .00000 -4.6948 3 2200.8219234 4150913035812 2 5712 2 CH3CN, v8=1
35.492593 .00000 -4.7385 3 2218.5123234 4150913035814 3 5714 3 CH3CN, v8=1
35.499144 .00000 -4.4368 3 2078.6240234 4150913035811 2 57a1 2 CH3CN, v8=1
35.499144 .00000 -4.4368 3 2078.6240234 41509130358a1 2 5711 2 CH3CN, v8=1
35.509267 .00000 -4.4770 3 2094.9702234 4150913035813 3 57a3 3 CH3CN, v8=1
35.509267 .00000 -4.4770 3 2094.9702234 41509130358a3 3 5713 3 CH3CN, v8=1
35.513968 .00000 -4.1994 3 1966.1453234 4150913035810 2 5710 2 CH3CN, v8=1
35.524699 .00000 -4.2363 3 1981.1569234 4150913035812 3 5712 3 CH3CN, v8=1
35.527455 .00000 -3.9826 3 1863.4180234 41509130358 9 2 57 9 2 CH3CN, v8=1
35.538901 .00000 -4.0161 3 1877.0976234 4150913035811 3 5711 3 CH3CN, v8=1
35.539560 .00000 -3.7865 3 1770.4666234 41509130358-8 2 57 8 2 CH3CN, v8=1
35.539560 .00000 -3.7865 3 1770.4666234 41509130358 8 2 57-8 2 CH3CN, v8=1
35.550239 .00000 -3.6111 3 1687.3122234 41509130358 7 2 57 7 2 CH3CN, v8=1
35.551889 .00000 -3.8166 3 1782.8154234 4150913035810 3 57a0 3 CH3CN, v8=1
35.551889 .00000 -3.8166 3 1782.8154234 41509130358a0 3 5710 3 CH3CN, v8=1
35.559434 .00000 -3.4564 3 1613.9728234 41509130358 6 2 57 6 2 CH3CN, v8=1
35.563694 .00000 -3.6379 3 1698.3318234 41509130358 9 3 57 9 3 CH3CN, v8=1
35.565785 .00000 -2.9556 3 1375.8163234 41509130358-1 3 57 1 3 CH3CN, v8=1
35.567062 .00000 -3.3225 3 1550.4638234 41509130358-5 2 57 5 2 CH3CN, v8=1
35.567062 .00000 -3.3225 3 1550.4638234 41509130358 5 2 57-5 2 CH3CN, v8=1
35.571005 .00000 -2.9654 3 1380.5457234 41509130358 0 2 57 0 2 CH3CN, v8=1
35.572984 .00000 -3.2095 3 1496.7973234 41509130358 4 2 57 4 2 CH3CN, v8=1
35.574359 .00000 -3.4798 3 1623.6662234 41509130358 8 3 57 8 3 CH3CN, v8=1
35.576851 .00000 -2.9952 3 1394.8909234 41509130358 1 2 57 1 2 CH3CN, v8=1
35.576959 .00000 -3.1172 3 1452.9815234 41509130358 3 2 57 3 2 CH3CN, v8=1
35.578532 .00000 -3.0458 3 1419.0173234 41509130358 2 2 57-2 2 CH3CN, v8=1
35.578532 .00000 -3.0458 3 1419.0173234 41509130358-2 2 57 2 2 CH3CN, v8=1
35.583961 .00000 -3.3426 3 1558.8365234 41509130358-7 3 57 7 3 CH3CN, v8=1
35.583961 .00000 -3.3426 3 1558.8365234 41509130358 7 3 57-7 3 CH3CN, v8=1
35.592630 .00000 -3.2262 3 1503.8596234 41509130358 6 3 57 6 3 CH3CN, v8=1
35.600602 .00000 -3.1306 3 1458.7519234 41509130358 5 3 57 5 3 CH3CN, v8=1
35.608325 .00000 -3.0559 3 1423.5324234 41509130358 4 3 57-4 3 CH3CN, v8=1
35.608325 .00000 -3.0559 3 1423.5324234 41509130358-4 3 57 4 3 CH3CN, v8=1
35.616650 .00000 -3.0021 3 1398.2307234 41509130358 3 3 57 3 3 CH3CN, v8=1
35.626484 .00000 -2.9693 3 1382.9145234 41509130358 2 3 57 2 3 CH3CN, v8=1
35.633032 .00000 -2.9581 3 1377.7561234 41509130358 1 3 57-1 3 CH3CN, v8=1
35.669564 -.00001 -6.9561 3 1187.0477206 41509130351 4 3 50-2 2 CH3CN, v8=1
35.669564 -.00001 -6.9561 3 1187.0477206 41509130351-4 3 50 2 2 CH3CN, v8=1
35.722915 -.00001 -6.8102 3 1226.1538214 41509130353 3 3 52 1 2 CH3CN, v8=1
35.817086 -.00001 -6.5032 3 2368.1698238 4150913035911 6 5813 2 CH3CN, v8=1
35.964315 .00000 -6.7231 3 3172.3440238 4150913035918 2 5818 2 CH3CN, v8=1
35.973013 .00000 -6.7865 3 3197.8078238 4150913035920 3 5820 3 CH3CN, v8=1
35.988684 .00000 -6.3437 3 2992.3846238 4150913035917 2 58a7 2 CH3CN, v8=1
35.988684 .00000 -6.3437 3 2992.3846238 41509130359a7 2 5817 2 CH3CN, v8=1
35.997528 .00000 -6.4029 3 3016.5434238 4150913035919 3 58a9 3 CH3CN, v8=1
35.997528 .00000 -6.4029 3 3016.5434238 41509130359a9 3 5819 3 CH3CN, v8=1
36.004119 .00000 -6.8641 3 1277.4910222 41509130355 2 3 54 0 2 CH3CN, v8=1
36.011799 .00000 -5.9830 3 2821.9762238 4150913035916 2 5816 2 CH3CN, v8=1
36.020790 .00000 -6.0396 3 2844.8189238 4150913035918 3 5818 3 CH3CN, v8=1
36.033791 .00000 -5.6434 3 2661.1695238 4150913035915 2 5815 2 CH3CN, v8=1
36.042794 .00000 -5.6966 3 2682.6698238 4150913035917 3 5817 3 CH3CN, v8=1
36.060952 .00000 -5.3247 3 2510.2181238 4150913035914 2 58a4 2 CH3CN, v8=1
36.060952 .00000 -5.3247 3 2510.2181238 41509130359a4 2 5814 2 CH3CN, v8=1
36.063540 .00000 -5.3739 3 2530.1300238 4150913035916 3 58a6 3 CH3CN, v8=1
36.063540 .00000 -5.3739 3 2530.1300238 41509130359a6 3 5816 3 CH3CN, v8=1
36.083564 .00000 -5.0717 3 2387.2259238 4150913035915 3 5815 3 CH3CN, v8=1
36.091289 .00000 -4.7465 3 2236.3050238 4150913035912 2 5812 2 CH3CN, v8=1
36.101201 .00000 -4.7899 3 2254.0049238 4150913035914 3 5814 3 CH3CN, v8=1
36.103132 .00000 -5.0391 3 2368.1698238 4150913035913 2 5813 2 CH3CN, v8=1
36.107599 .00000 -4.4887 3 2114.1232238 4150913035911 2 58a1 2 CH3CN, v8=1
36.107599 .00000 -4.4887 3 2114.1232238 41509130359a1 2 5811 2 CH3CN, v8=1
36.118152 .00000 -4.5287 3 2130.4794238 4150913035913 3 58a3 3 CH3CN, v8=1
36.118152 .00000 -4.5287 3 2130.4794238 41509130359a3 3 5813 3 CH3CN, v8=1
36.122647 .00000 -4.2514 3 2001.6593238 4150913035910 2 5810 2 CH3CN, v8=1
36.133843 .00000 -4.2880 3 2016.6816238 -4150913035912 3 5812 3 CH3CN, v8=1
36.136335 .00000 -4.0347 3 1898.9455238 -41509130359 9 2 58 9 2 CH3CN, v8=1
36.148284 .00000 -4.0681 3 1912.6365238 -4150913035911 3 5811 3 CH3CN, v8=1
36.148614 .00000 -3.8386 3 1806.0062238 -41509130359-8 2 58 8 2 CH3CN, v8=1
36.148614 .00000 -3.8386 3 1806.0062238 -41509130359 8 2 58-8 2 CH3CN, v8=1
36.159442 .00000 -3.6633 3 1722.8624238 -41509130359 7 2 58 7 2 CH3CN, v8=1
36.161498 .00000 -3.8686 3 1818.3673238 -4150913035910 3 58a0 3 CH3CN, v8=1
36.161498 .00000 -3.8686 3 1818.3673238 -41509130359a0 3 5810 3 CH3CN, v8=1
36.168758 .00000 -3.5088 3 1649.5322238 -41509130359 6 2 58 6 2 CH3CN, v8=1
36.173510 .00000 -3.6900 3 1733.8955238 -41509130359 9 3 58 9 3 CH3CN, v8=1
36.175420 .00000 -3.0081 3 1411.3821238 41509130359 1 3 58-1 3 CH3CN, v8=1
36.176475 .00000 -3.3749 3 1586.0308238 41509130359-5 2 58 5 2 CH3CN, v8=1
36.176475 .00000 -3.3749 3 1586.0308238 41509130359 5 2 58-5 2 CH3CN, v8=1
36.180427 .00000 -3.0179 3 1416.1167238 41509130359 0 2 58 0 2 CH3CN, v8=1
36.182450 .00000 -3.2619 3 1532.3703238 41509130359 4 2 58 4 2 CH3CN, v8=1
36.184372 .00000 -3.5321 3 1659.2405238 -41509130359 8 3 58 8 3 CH3CN, v8=1
36.186230 .00000 -3.0478 3 1430.4677238 41509130359 1 2 58 1 2 CH3CN, v8=1
36.186436 .00000 -3.1696 3 1488.5584238 41509130359 3 2 58 3 2 CH3CN, v8=1
36.187974 .00000 -3.0983 3 1454.5958238 41509130359-2 2 58 2 2 CH3CN, v8=1
36.187974 .00000 -3.0983 3 1454.5958238 41509130359 2 2 58-2 2 CH3CN, v8=1
36.194160 .00000 -3.3949 3 1594.4205238 41509130359-7 3 58 7 3 CH3CN, v8=1
36.194160 .00000 -3.3949 3 1594.4205238 41509130359 7 3 58-7 3 CH3CN, v8=1
36.203009 .00000 -3.2786 3 1539.4522238 41509130359 6 3 58 6 3 CH3CN, v8=1
36.211160 .00000 -3.1831 3 1494.3525238 41509130359 5 3 58 5 3 CH3CN, v8=1
36.219066 .00000 -3.1084 3 1459.1408238 41509130359-4 3 58 4 3 CH3CN, v8=1
36.219066 .00000 -3.1084 3 1459.1408238 41509130359 4 3 58-4 3 CH3CN, v8=1
36.227560 .00000 -3.0546 3 1433.8474238 41509130359 3 3 58 3 3 CH3CN, v8=1
36.237413 .00000 -3.0219 3 1418.5410238 41509130359 2 3 58 2 3 CH3CN, v8=1
36.243770 .00000 -3.0107 3 1413.3891238 41509130359-1 3 58 1 3 CH3CN, v8=1
36.302796 -.00001 -6.9914 3 1218.3549210 41509130352-4 3 51 2 2 CH3CN, v8=1
36.302796 -.00001 -6.9914 3 1218.3549210 41509130352 4 3 51-2 2 CH3CN, v8=1
36.366997 -.00001 -6.8562 3 1258.6810218 41509130354 3 3 53 1 2 CH3CN, v8=1
36.493415 -.00001 -6.4771 3 2367.7796238 4150913035913 2 5811 6 CH3CN, v8=1
36.495445 -.00001 -6.1321 3 2404.2730242 4150913036013 2 5913 2 CH3CN, v8=1
36.570403 .00000 -6.7754 3 3208.3083242 4150913036018 2 5918 2 CH3CN, v8=1
36.579404 .00000 -6.8384 3 3233.7808242 4150913036020 3 5920 3 CH3CN, v8=1
36.595147 .00000 -6.4092 3 3028.3732242 4150913036017 2 59a7 2 CH3CN, v8=1
36.595147 .00000 -6.4092 3 3028.3732242 41509130360a7 2 5917 2 CH3CN, v8=1
36.604307 .00000 -6.4560 3 3052.5410242 4150913036019 3 59a9 3 CH3CN, v8=1
36.604307 .00000 -6.4560 3 3052.5410242 41509130360a9 3 5919 3 CH3CN, v8=1
36.618618 .00000 -6.0357 3 2857.9880242 4150913036016 2 5916 2 CH3CN, v8=1
36.627939 .00000 -6.0920 3 2880.8397242 4150913036018 3 5918 3 CH3CN, v8=1
36.640950 .00000 -5.6963 3 2697.2033242 4150913036015 2 5915 2 CH3CN, v8=1
36.650294 .00000 -5.7492 3 2718.7126242 4150913036017 3 5917 3 CH3CN, v8=1
36.668833 .00000 -5.3778 3 2546.2790242 4150913036014 2 59a4 2 CH3CN, v8=1
36.668833 .00000 -5.3778 3 2546.2790242 41509130360a4 2 5914 2 CH3CN, v8=1
36.671372 .00000 -5.4267 3 2566.1935242 4150913036016 3 59a6 3 CH3CN, v8=1
36.671372 .00000 -5.4267 3 2566.1935242 41509130360a6 3 5916 3 CH3CN, v8=1
36.691551 .00000 -5.1247 3 2423.3095242 4150913036015 3 5915 3 CH3CN, v8=1
36.699315 .00000 -4.7999 3 2272.3963242 4150913036012 2 5912 2 CH3CN, v8=1
36.709638 .00000 -4.8431 3 2290.1061242 -4150913036014 3 5914 3 CH3CN, v8=1
36.715871 .00000 -4.5422 3 2150.2308242 -4150913036011 2 59a1 2 CH3CN, v8=1
36.715871 .00000 -4.5422 3 2150.2308242 -41509130360a1 2 5911 2 CH3CN, v8=1
36.726864 .00000 -4.5820 3 2166.5976242 -4150913036013 3 59a3 3 CH3CN, v8=1
36.726864 .00000 -4.5820 3 2166.5976242 -41509130360a3 3 5913 3 CH3CN, v8=1
36.731141 .00000 -4.3050 3 2037.7820242 -4150913036010 2 5910 2 CH3CN, v8=1
36.742813 .00000 -4.3415 3 2052.8154242 -4150913036012 3 5912 3 CH3CN, v8=1
36.745027 .00000 -4.0884 3 1935.0818242 -41509130360 9 2 59 9 2 CH3CN, v8=1
36.747441 .00000 -5.1166 3 2404.2730242 -4150913036011 6 5913 2 CH3CN, v8=1
36.757481 .00000 -3.8925 3 1842.1548242 41509130360-8 2 59 8 2 CH3CN, v8=1
36.757481 .00000 -3.8925 3 1842.1548242 41509130360 8 2 59-8 2 CH3CN, v8=1
36.757496 .00000 -4.1217 3 1948.7847242 4150913036011 3 5911 3 CH3CN, v8=1
36.768455 .00000 -3.7173 3 1759.0218242 -41509130360 7 2 59 7 2 CH3CN, v8=1
36.770933 .00000 -3.9223 3 1854.5288242 -4150913036010 3 59a0 3 CH3CN, v8=1
36.770933 .00000 -3.9223 3 1854.5288242 -41509130360a0 3 5910 3 CH3CN, v8=1
36.777888 .00000 -3.5628 3 1685.7010242 -41509130360 6 2 59 6 2 CH3CN, v8=1
36.781488 -.00001 -5.1149 3 2403.9869242 -4150913036013 2 5911 6 CH3CN, v8=1
36.783155 .00000 -3.7439 3 1770.0690242 -41509130360 9 3 59 9 3 CH3CN, v8=1
36.784871 .00000 -3.0623 3 1447.5575242 -41509130360-1 3 59 1 3 CH3CN, v8=1
36.785695 .00000 -3.4290 3 1622.2073242 -41509130360-5 2 59 5 2 CH3CN, v8=1
36.785695 .00000 -3.4290 3 1622.2073242 -41509130360 5 2 59-5 2 CH3CN, v8=1
36.789672 .00000 -3.0721 3 1452.2972242 -41509130360 0 2 59 0 2 CH3CN, v8=1
36.791721 .00000 -3.3160 3 1568.5528242 -41509130360 4 2 59 4 2 CH3CN, v8=1
36.794213 .00000 -3.5860 3 1695.4249242 41509130360 8 3 59 8 3 CH3CN, v8=1
36.795419 .00000 -3.1019 3 1466.6540242 -41509130360 1 2 59 1 2 CH3CN, v8=1
36.795716 .00000 -3.2239 3 1524.7449242 -41509130360 3 2 59 3 2 CH3CN, v8=1
36.797222 .00000 -3.1525 3 1490.7838242 -41509130360 2 2 59-2 2 CH3CN, v8=1
36.797222 .00000 -3.1525 3 1490.7838242 -41509130360-2 2 59 2 2 CH3CN, v8=1
36.804186 .00000 -3.4489 3 1630.6147242 -41509130360-7 3 59 7 3 CH3CN, v8=1
36.804186 .00000 -3.4489 3 1630.6147242 -41509130360 7 3 59-7 3 CH3CN, v8=1
36.813215 .00000 -3.3327 3 1575.6553242 -41509130360 6 3 59 6 3 CH3CN, v8=1
36.821545 .00000 -3.2372 3 1530.5637242 -41509130360 5 3 59 5 3 CH3CN, v8=1
36.829635 .00000 -3.1626 3 1495.3598242 -41509130360 4 3 59-4 3 CH3CN, v8=1
36.829635 .00000 -3.1626 3 1495.3598242 -41509130360-4 3 59 4 3 CH3CN, v8=1
36.838291 .00000 -3.1089 3 1470.0749242 -41509130360 3 3 59 3 3 CH3CN, v8=1
36.848151 .00000 -3.0762 3 1454.7784242 -41509130360 2 3 59 2 3 CH3CN, v8=1
36.854324 .00000 -3.0650 3 1449.6329242 -41509130360 1 3 59-1 3 CH3CN, v8=1
36.937002 -.00001 -7.0290 3 1250.2729214 41509130353 4 3 52-2 2 CH3CN, v8=1
36.937002 -.00001 -7.0290 3 1250.2729214 41509130353-4 3 52 2 2 CH3CN, v8=1
37.089200 -.00001 -6.2672 3 2441.0204246 4150913036113 2 6011 6 CH3CN, v8=1
37.176315 .00000 -6.8293 3 3244.8787246 4150913036118 2 6018 2 CH3CN, v8=1
37.185625 -.00001 -6.8920 3 3270.3602246 -4150913036120 3 6020 3 CH3CN, v8=1
37.201432 .00000 -6.5014 3 3064.9684246 -4150913036117 2 60a7 2 CH3CN, v8=1
37.201432 .00000 -6.5014 3 3064.9684246 -41509130361a7 2 6017 2 CH3CN, v8=1
37.210916 .00000 -6.5092 3 3089.1453246 -4150913036119 3 60a9 3 CH3CN, v8=1
37.210916 .00000 -6.5092 3 3089.1453246 -41509130361a9 3 6019 3 CH3CN, v8=1
37.225257 .00000 -6.0901 3 2894.6066246 -4150913036116 2 6016 2 CH3CN, v8=1
37.234917 .00000 -6.1460 3 2917.4677246 -4150913036118 3 6018 3 CH3CN, v8=1
37.247924 .00000 -5.7509 3 2733.8442246 -4150913036115 2 6015 2 CH3CN, v8=1
37.257620 .00000 -5.8034 3 2755.3629246 -4150913036117 3 6017 3 CH3CN, v8=1
37.276567 .00000 -5.4325 3 2582.9479246 4150913036114 2 60a4 2 CH3CN, v8=1
37.276567 .00000 -5.4325 3 2582.9479246 41509130361a4 2 6014 2 CH3CN, v8=1
37.279029 .00000 -5.4811 3 2602.8649246 -4150913036116 3 60a6 3 CH3CN, v8=1
37.279029 .00000 -5.4811 3 2602.8649246 -41509130361a6 3 6016 3 CH3CN, v8=1
37.299421 .00000 -5.1826 3 2460.0010246 -4150913036115 3 6015 3 CH3CN, v8=1
37.307154 .00000 -4.8549 3 2309.0956246 -4150913036112 2 6012 2 CH3CN, v8=1
37.317901 .00000 -4.8979 3 2326.8158246 -4150913036114 3 6014 3 CH3CN, v8=1
37.323955 .00000 -4.5983 3 2186.9466246 -4150913036111 2 60a1 2 CH3CN, v8=1
37.323955 .00000 -4.5983 3 2186.9466246 -41509130361a1 2 6011 2 CH3CN, v8=1
37.335402 .00000 -4.6369 3 2203.3244246 -4150913036113 3 60a3 3 CH3CN, v8=1
37.335402 .00000 -4.6369 3 2203.3244246 -41509130361a3 3 6013 3 CH3CN, v8=1
37.339446 .00000 -4.3603 3 2074.5131246 -4150913036110 2 6010 2 CH3CN, v8=1
37.341197 .00000 -5.1646 3 2440.7684246 -4150913036113 2 6013 2 CH3CN, v8=1
37.351607 .00000 -4.3966 3 2089.5582246 -4150913036112 3 6012 3 CH3CN, v8=1
37.353529 .00000 -4.1439 3 1971.8268246 -41509130361 9 2 60 9 2 CH3CN, v8=1
37.366155 .00000 -3.9479 3 1878.9123246 -41509130361-8 2 60 8 2 CH3CN, v8=1
37.366155 .00000 -3.9479 3 1878.9123246 -41509130361 8 2 60-8 2 CH3CN, v8=1
37.366531 .00000 -4.1768 3 1985.5422246 -4150913036111 3 6011 3 CH3CN, v8=1
37.377276 .00000 -3.7728 3 1795.7903246 -41509130361 7 2 60 7 2 CH3CN, v8=1
37.380192 .00000 -3.9777 3 1891.2997246 -4150913036110 3 60a0 3 CH3CN, v8=1
37.380192 .00000 -3.9777 3 1891.2997246 -41509130361a0 3 6010 3 CH3CN, v8=1
37.386828 .00000 -3.6184 3 1722.4788246 -41509130361 6 2 60 6 2 CH3CN, v8=1
37.392624 .00000 -3.7993 3 1806.8521246 -41509130361 9 3 60 9 3 CH3CN, v8=1
37.394138 .00000 -3.1180 3 1484.3424246 -41509130361 1 3 60-1 3 CH3CN, v8=1
37.394718 .00000 -3.4847 3 1658.9930246 -41509130361-5 2 60 5 2 CH3CN, v8=1
37.394718 .00000 -3.4847 3 1658.9930246 -41509130361 5 2 60-5 2 CH3CN, v8=1
37.398739 .00000 -3.1279 3 1489.0868246 -41509130361 0 2 60 0 2 CH3CN, v8=1
37.400794 .00000 -3.3718 3 1605.3445246 -41509130361 4 2 60 4 2 CH3CN, v8=1
37.403878 .00000 -3.6415 3 1732.2191246 -41509130361 8 3 60 8 3 CH3CN, v8=1
37.404418 .00000 -3.1577 3 1503.4494246 -41509130361 1 2 60 1 2 CH3CN, v8=1
37.404799 .00000 -3.2797 3 1561.5406246 -41509130361 3 2 60 3 2 CH3CN, v8=1
37.406271 .00000 -3.2083 3 1527.5810246 -41509130361-2 2 60 2 2 CH3CN, v8=1
37.406271 .00000 -3.2083 3 1527.5810246 -41509130361 2 2 60-2 2 CH3CN, v8=1
37.414039 .00000 -3.5046 3 1667.4188246 -41509130361-7 3 60 7 3 CH3CN, v8=1
37.414039 .00000 -3.5046 3 1667.4188246 -41509130361 7 3 60-7 3 CH3CN, v8=1
37.423247 .00000 -3.3884 3 1612.4685246 -41509130361 6 3 60 6 3 CH3CN, v8=1
37.431756 .00000 -3.2930 3 1567.3852246 -41509130361 5 3 60 5 3 CH3CN, v8=1
37.440025 .00000 -3.2184 3 1532.1895246 -41509130361-4 3 60 4 3 CH3CN, v8=1
37.440025 .00000 -3.2184 3 1532.1895246 -41509130361 4 3 60-4 3 CH3CN, v8=1
37.448836 .00000 -3.1647 3 1506.9132246 -41509130361 3 3 60 3 3 CH3CN, v8=1
37.458693 .00000 -3.1321 3 1491.6266246 -41509130361 2 3 60 2 3 CH3CN, v8=1
37.464686 .00000 -3.1209 3 1486.4872246 -41509130361-1 3 60 1 3 CH3CN, v8=1
37.572207 -.00001 -7.0690 3 1282.8014218 41509130354-4 3 53 2 2 CH3CN, v8=1
37.572207 -.00001 -7.0690 3 1282.8014218 41509130354 4 3 53-2 2 CH3CN, v8=1
37.603274 -.00001 -6.8212 3 2478.4262250 4150913036213 2 6111 6 CH3CN, v8=1
37.657798 -.00001 -6.2476 3 2440.7684246 4150913036111 6 6013 2 CH3CN, v8=1
37.782048 .00000 -6.8849 3 3282.0550250 4150913036218 2 6118 2 CH3CN, v8=1
37.807533 .00000 -6.5118 3 3102.1698250 -4150913036217 2 61a7 2 CH3CN, v8=1
37.807533 .00000 -6.5118 3 3102.1698250 -41509130362a7 2 6117 2 CH3CN, v8=1
37.817353 .00000 -6.5645 3 3126.3562250 -4150913036219 3 61a9 3 CH3CN, v8=1
37.817353 .00000 -6.5645 3 3126.3562250 -41509130362a9 3 6119 3 CH3CN, v8=1
37.831710 -.00001 -6.1461 3 2931.8319250 -4150913036216 2 6116 2 CH3CN, v8=1
37.841717 .00000 -6.2018 3 2954.7026250 -4150913036218 3 6118 3 CH3CN, v8=1
37.854720 .00000 -5.8274 3 2771.0922250 -4150913036215 2 6115 2 CH3CN, v8=1
37.864770 .00000 -5.8594 3 2792.6205250 -4150913036217 3 6117 3 CH3CN, v8=1
37.884155 .00000 -5.4889 3 2620.2244250 -4150913036214 2 61a4 2 CH3CN, v8=1
37.884155 .00000 -5.4889 3 2620.2244250 -41509130362a4 2 6114 2 CH3CN, v8=1
37.886510 .00000 -5.5373 3 2640.1439250 -4150913036216 3 61a6 3 CH3CN, v8=1
37.886510 .00000 -5.5373 3 2640.1439250 -41509130362a6 3 6116 3 CH3CN, v8=1
37.907144 .00000 -5.2356 3 2497.3004250 -4150913036215 3 6115 3 CH3CN, v8=1
37.914807 .00000 -4.9116 3 2346.4027250 -4150913036212 2 6112 2 CH3CN, v8=1
37.919874 .00000 -5.1990 3 2478.1096250 -4150913036213 2 6113 2 CH3CN, v8=1
37.925984 .00000 -4.9543 3 2364.1337250 -4150913036214 3 6114 3 CH3CN, v8=1
37.931848 .00000 -4.6545 3 2224.2706250 -4150913036211 2 61a1 2 CH3CN, v8=1
37.931848 .00000 -4.6545 3 2224.2706250 -41509130362a1 2 6111 2 CH3CN, v8=1
37.943760 .00000 -4.6935 3 2240.6598250 -4150913036213 3 61a3 3 CH3CN, v8=1
37.943760 .00000 -4.6935 3 2240.6598250 -41509130362a3 3 6113 3 CH3CN, v8=1
37.947558 .00000 -4.4172 3 2111.8525250 -4150913036210 2 6110 2 CH3CN, v8=1
37.960224 .00000 -4.4533 3 2126.9099250 -4150913036212 3 6112 3 CH3CN, v8=1
37.961837 .00000 -4.2009 3 2009.1804250 -41509130362 9 2 61 9 2 CH3CN, v8=1
37.974635 .00000 -4.0051 3 1916.2784250 -41509130362-8 2 61 8 2 CH3CN, v8=1
37.974635 .00000 -4.0051 3 1916.2784250 -41509130362 8 2 61-8 2 CH3CN, v8=1
37.975387 .00000 -4.2337 3 2022.9088250 -4150913036211 3 6111 3 CH3CN, v8=1
37.985898 .00000 -3.8300 3 1833.1676250 -41509130362 7 2 61 7 2 CH3CN, v8=1
37.989273 .00000 -4.0347 3 1928.6799250 -4150913036210 3 61a0 3 CH3CN, v8=1
37.989273 .00000 -4.0347 3 1928.6799250 -41509130362a0 3 6110 3 CH3CN, v8=1
37.995568 .00000 -3.6756 3 1759.8657250 -41509130362 6 2 61 6 2 CH3CN, v8=1
38.001913 .00000 -3.8563 3 1844.2447250 41509130362 9 3 61 9 3 CH3CN, v8=1
38.003214 .00000 -3.1754 3 1521.7365250 41509130362-1 3 61 1 3 CH3CN, v8=1
38.003541 .00000 -3.5420 3 1696.3877250 41509130362-5 2 61 5 2 CH3CN, v8=1
38.003541 .00000 -3.5420 3 1696.3877250 41509130362 5 2 61-5 2 CH3CN, v8=1
38.007622 .00000 -3.1853 3 1526.4856250 -41509130362 0 2 61 0 2 CH3CN, v8=1
38.009666 .00000 -3.4291 3 1642.7453250 -41509130362 4 2 61 4 2 CH3CN, v8=1
38.013225 .00000 -3.2152 3 1540.8538250 41509130362 1 2 61 1 2 CH3CN, v8=1
38.013364 .00000 -3.6987 3 1769.6230250 41509130362 8 3 61 8 3 CH3CN, v8=1
38.013682 .00000 -3.3370 3 1598.9454250 -41509130362 3 2 61 3 2 CH3CN, v8=1
38.015120 .00000 -3.2657 3 1564.9873250 41509130362 2 2 61-2 2 CH3CN, v8=1
38.015120 .00000 -3.2657 3 1564.9873250 41509130362-2 2 61 2 2 CH3CN, v8=1
38.023710 .00000 -3.5618 3 1704.8329250 -41509130362-7 3 61 7 3 CH3CN, v8=1
38.023710 .00000 -3.5618 3 1704.8329250 -41509130362 7 3 61-7 3 CH3CN, v8=1
38.033100 .00000 -3.4457 3 1649.8917250 -41509130362 6 3 61 6 3 CH3CN, v8=1
38.041789 .00000 -3.3504 3 1604.8170250 -41509130362 5 3 61 5 3 CH3CN, v8=1
38.050236 .00000 -3.2758 3 1569.6295250 -41509130362 4 3 61-4 3 CH3CN, v8=1
38.050236 .00000 -3.2758 3 1569.6295250 -41509130362-4 3 61 4 3 CH3CN, v8=1
38.059195 .00000 -3.2222 3 1544.3620250 -41509130362 3 3 61 3 3 CH3CN, v8=1
38.069038 .00000 -3.1896 3 1529.0853250 -41509130362 2 3 61 2 3 CH3CN, v8=1
38.074859 .00000 -3.1785 3 1523.9519250 -41509130362 1 3 61-1 3 CH3CN, v8=1
38.208434 -.00001 -7.1114 3 1315.9403222 41509130355 4 3 54-2 2 CH3CN, v8=1
38.208434 -.00001 -7.1114 3 1315.9403222 41509130355-4 3 54 2 2 CH3CN, v8=1
38.361421 -.00001 -6.7964 3 2478.1096250 4150913036211 6 6113 2 CH3CN, v8=1
38.413458 .00000 -6.5639 3 3139.9774254 -4150913036317 2 62a7 2 CH3CN, v8=1
38.413458 .00000 -6.5639 3 3139.9774254 -41509130363a7 2 6217 2 CH3CN, v8=1
38.423614 .00000 -6.6232 3 3164.1735254 -4150913036319 3 62a9 3 CH3CN, v8=1
38.423614 .00000 -6.6232 3 3164.1735254 -41509130363a9 3 6219 3 CH3CN, v8=1
38.437986 .00000 -6.2038 3 2969.6636254 4150913036316 2 6216 2 CH3CN, v8=1
38.448348 .00000 -6.2592 3 2992.5443254 -4150913036318 3 6218 3 CH3CN, v8=1
38.461331 .00000 -5.8851 3 2808.9469254 -4150913036315 2 6215 2 CH3CN, v8=1
38.471749 .00000 -5.9170 3 2830.4853254 -4150913036317 3 6217 3 CH3CN, v8=1
38.491597 .00000 -5.5469 3 2658.1086254 -4150913036314 2 62a4 2 CH3CN, v8=1
38.491597 .00000 -5.5469 3 2658.1086254 -41509130363a4 2 6214 2 CH3CN, v8=1
38.493815 .00000 -5.5951 3 2678.0304254 -4150913036316 3 62a6 3 CH3CN, v8=1
38.493815 .00000 -5.5951 3 2678.0304254 -41509130363a6 3 6216 3 CH3CN, v8=1
38.514705 .00000 -5.2963 3 2535.2076254 -4150913036315 3 6215 3 CH3CN, v8=1
38.515692 .00000 -5.2502 3 2516.0295254 4150913036313 2 6213 2 CH3CN, v8=1
38.522265 .00000 -4.9699 3 2384.3175254 -4150913036312 2 6212 2 CH3CN, v8=1
38.533887 .00000 -5.0125 3 2402.0596254 4150913036314 3 6214 3 CH3CN, v8=1
38.539547 .00000 -4.7126 3 2262.2024254 -4150913036311 2 62a1 2 CH3CN, v8=1
38.539547 .00000 -4.7126 3 2262.2024254 -41509130363a1 2 6211 2 CH3CN, v8=1
38.551936 .00000 -4.7518 3 2278.6036254 -4150913036313 3 62a3 3 CH3CN, v8=1
38.551936 .00000 -4.7518 3 2278.6036254 -41509130363a3 3 6213 3 CH3CN, v8=1
38.555475 .00000 -4.4757 3 2149.8001254 -4150913036310 2 6210 2 CH3CN, v8=1
38.568656 .00000 -4.5117 3 2164.8701254 -4150913036312 3 6212 3 CH3CN, v8=1
38.569949 .00000 -4.2602 3 2047.1422254 -41509130363 9 2 62 9 2 CH3CN, v8=1
38.582915 .00000 -4.0638 3 1954.2531254 -41509130363-8 2 62 8 2 CH3CN, v8=1
38.582915 .00000 -4.0638 3 1954.2531254 -41509130363 8 2 62-8 2 CH3CN, v8=1
38.584059 .00000 -4.2922 3 2060.8841254 -4150913036311 3 6211 3 CH3CN, v8=1
38.594324 .00000 -3.8888 3 1871.1535254 -41509130363 7 2 62 7 2 CH3CN, v8=1
38.598168 .00000 -4.0933 3 1966.6692254 -4150913036310 3 62a0 3 CH3CN, v8=1
38.598168 .00000 -4.0933 3 1966.6692254 -41509130363a0 3 6210 3 CH3CN, v8=1
38.604106 .00000 -3.7345 3 1797.8612254 41509130363 6 2 62 6 2 CH3CN, v8=1
38.611019 .00000 -3.9151 3 1882.2467254 -41509130363 9 3 62 9 3 CH3CN, v8=1
38.612098 .00000 -3.2345 3 1559.7397254 41509130363 1 3 62-1 3 CH3CN, v8=1
38.612162 .00000 -3.6009 3 1734.3913254 41509130363-5 2 62 5 2 CH3CN, v8=1
38.612162 .00000 -3.6009 3 1734.3913254 41509130363 5 2 62-5 2 CH3CN, v8=1
38.616317 .00000 -3.2443 3 1564.4932254 -41509130363 0 2 62 0 2 CH3CN, v8=1
38.618335 .00000 -3.4881 3 1680.7550254 -41509130363 4 2 62 4 2 CH3CN, v8=1
38.621835 .00000 -3.2742 3 1578.8670254 -41509130363 1 2 62 1 2 CH3CN, v8=1
38.622358 .00000 -3.3961 3 1636.9591254 -41509130363 3 2 62 3 2 CH3CN, v8=1
38.622667 .00000 -3.7575 3 1807.6364254 -41509130363 8 3 62 8 3 CH3CN, v8=1
38.623767 .00000 -3.3247 3 1603.0024254 -41509130363-2 2 62 2 2 CH3CN, v8=1
38.623767 .00000 -3.3247 3 1603.0024254 -41509130363 2 2 62-2 2 CH3CN, v8=1
38.633201 .00000 -3.6207 3 1742.8566254 -41509130363-7 3 62 7 3 CH3CN, v8=1
38.633201 .00000 -3.6207 3 1742.8566254 -41509130363 7 3 62-7 3 CH3CN, v8=1
38.642772 .00000 -3.5046 3 1687.9248254 -41509130363 6 3 62 6 3 CH3CN, v8=1
38.651639 .00000 -3.4094 3 1642.8588254 -41509130363 5 3 62 5 3 CH3CN, v8=1
38.660261 .00000 -3.3349 3 1607.6797254 41509130363-4 3 62 4 3 CH3CN, v8=1
38.660261 .00000 -3.3349 3 1607.6797254 41509130363 4 3 62-4 3 CH3CN, v8=1
38.669361 .00000 -3.2812 3 1582.4212254 41509130363 3 3 62 3 3 CH3CN, v8=1
38.679180 .00000 -3.2487 3 1567.1543254 41509130363 2 3 62 2 3 CH3CN, v8=1
38.684835 .00000 -3.2377 3 1562.0268254 41509130363-1 3 62 1 3 CH3CN, v8=1
38.845706 -.00001 -7.1560 3 1349.6893226 41509130356-4 3 55 2 2 CH3CN, v8=1
38.845707 -.00001 -7.1560 3 1349.6893226 41509130356 4 3 55-2 2 CH3CN, v8=1
39.019193 .00000 -6.6220 3 3178.3908258 4150913036417 2 63a7 2 CH3CN, v8=1
39.019193 .00000 -6.6220 3 3178.3908258 41509130364a7 2 6317 2 CH3CN, v8=1
39.029696 .00000 -6.6828 3 3202.5972258 -4150913036419 3 63a9 3 CH3CN, v8=1
39.029696 .00000 -6.6828 3 3202.5972258 -41509130364a9 3 6319 3 CH3CN, v8=1
39.044072 .00000 -6.2631 3 3008.1016258 -4150913036416 2 6316 2 CH3CN, v8=1
39.054791 .00000 -6.3182 3 3030.9926258 -4150913036418 3 6318 3 CH3CN, v8=1
39.067744 .00000 -5.9244 3 2847.4082258 -4150913036415 2 6315 2 CH3CN, v8=1
39.078537 .00000 -5.9762 3 2868.9570258 -4150913036417 3 6317 3 CH3CN, v8=1
39.098890 .00000 -5.6066 3 2696.6002258 4150913036414 2 63a4 2 CH3CN, v8=1
39.098890 .00000 -5.6066 3 2696.6002258 41509130364a4 2 6314 2 CH3CN, v8=1
39.100935 .00000 -5.6545 3 2716.5243258 -4150913036416 3 63a6 3 CH3CN, v8=1
39.100935 .00000 -5.6545 3 2716.5243258 -41509130364a6 3 6316 3 CH3CN, v8=1
39.117932 .00000 -5.3110 3 2554.5452258 -4150913036413 2 6313 2 CH3CN, v8=1
39.122095 .00000 -5.3532 3 2573.7223258 4150913036415 3 6315 3 CH3CN, v8=1
39.129529 .00000 -5.0298 3 2422.8398258 -4150913036412 2 6312 2 CH3CN, v8=1
39.141606 .00000 -5.0722 3 2440.5935258 4150913036414 3 6314 3 CH3CN, v8=1
39.147050 .00000 -4.7725 3 2300.7420258 4150913036411 2 63a1 2 CH3CN, v8=1
39.147050 .00000 -4.7725 3 2300.7420258 41509130364a1 2 6311 2 CH3CN, v8=1
39.159928 .00000 -4.8117 3 2317.1555258 -4150913036413 3 63a3 3 CH3CN, v8=1
39.159928 .00000 -4.8117 3 2317.1555258 -41509130364a3 3 6313 3 CH3CN, v8=1
39.163195 .00000 -4.5359 3 2188.3556258 -4150913036410 2 6310 2 CH3CN, v8=1
39.176906 .00000 -4.5717 3 2203.4387258 4150913036412 3 6312 3 CH3CN, v8=1
39.177861 .00000 -4.3198 3 2085.7122258 -41509130364 9 2 63 9 2 CH3CN, v8=1
39.190996 .00000 -4.1241 3 1992.8360258 -41509130364-8 2 63 8 2 CH3CN, v8=1
39.190996 .00000 -4.1241 3 1992.8360258 -41509130364 8 2 63-8 2 CH3CN, v8=1
39.192547 .00000 -4.3523 3 2099.4682258 -4150913036411 3 6311 3 CH3CN, v8=1
39.202546 .00000 -3.9492 3 1909.7478258 -41509130364 7 2 63 7 2 CH3CN, v8=1
39.206880 .00000 -4.1535 3 2005.2674258 -4150913036410 3 63a0 3 CH3CN, v8=1
39.206880 .00000 -4.1535 3 2005.2674258 -41509130364a0 3 6310 3 CH3CN, v8=1
39.212440 .00000 -3.7950 3 1836.4653258 -41509130364 6 2 63 6 2 CH3CN, v8=1
39.219941 .00000 -3.9754 3 1920.8577258 -41509130364 9 3 63 9 3 CH3CN, v8=1
39.220578 .00000 -3.6615 3 1773.0034258 -41509130364-5 2 63 5 2 CH3CN, v8=1
39.220578 .00000 -3.6615 3 1773.0034258 -41509130364 5 2 63-5 2 CH3CN, v8=1
39.220787 .00000 -3.2951 3 1598.3518258 -41509130364-1 3 63 1 3 CH3CN, v8=1
39.224824 .00000 -3.3049 3 1603.1095258 -41509130364 0 2 63 0 2 CH3CN, v8=1
39.226797 .00000 -3.5487 3 1719.3733258 -41509130364 4 2 63 4 2 CH3CN, v8=1
39.230247 .00000 -3.3348 3 1617.4889258 -41509130364 1 2 63 1 2 CH3CN, v8=1
39.230828 .00000 -3.4567 3 1675.5814258 -41509130364 3 2 63 3 2 CH3CN, v8=1
39.231784 .00000 -3.8179 3 1846.2590258 -41509130364 8 3 63 8 3 CH3CN, v8=1
39.232209 .00000 -3.3854 3 1641.6262258 -41509130364 2 2 63-2 2 CH3CN, v8=1
39.232209 .00000 -3.3854 3 1641.6262258 -41509130364-2 2 63 2 2 CH3CN, v8=1
39.242506 .00000 -3.6811 3 1781.4898258 -41509130364-7 3 63 7 3 CH3CN, v8=1
39.242506 .00000 -3.6811 3 1781.4898258 -41509130364 7 3 63-7 3 CH3CN, v8=1
39.252257 .00000 -3.5652 3 1726.5676258 -41509130364 6 3 63 6 3 CH3CN, v8=1
39.261303 .00000 -3.4699 3 1681.5104258 -41509130364 5 3 63 5 3 CH3CN, v8=1
39.270098 .00000 -3.3955 3 1646.3400258 -41509130364 4 3 63-4 3 CH3CN, v8=1
39.270098 .00000 -3.3955 3 1646.3400258 -41509130364-4 3 63 4 3 CH3CN, v8=1
39.279333 .00000 -3.3419 3 1621.0906258 -41509130364 3 3 63 3 3 CH3CN, v8=1
39.289119 .00000 -3.3095 3 1605.8335258 -41509130364 2 3 63 2 3 CH3CN, v8=1
39.294612 .00000 -3.2984 3 1600.7116258 -41509130364 1 3 63-1 3 CH3CN, v8=1
39.624742 .00000 -6.6852 3 3217.4100262 -4150913036517 2 64a7 2 CH3CN, v8=1
39.624742 .00000 -6.6852 3 3217.4100262 -41509130365a7 2 6417 2 CH3CN, v8=1
39.635598 .00000 -6.7416 3 3241.6269262 4150913036519 3 64a9 3 CH3CN, v8=1
39.635598 .00000 -6.7416 3 3241.6269262 41509130365a9 3 6419 3 CH3CN, v8=1
39.649960 .00000 -6.3240 3 3047.1456262 4150913036516 2 6416 2 CH3CN, v8=1
39.661058 .00000 -6.3790 3 3070.0474262 4150913036518 3 6418 3 CH3CN, v8=1
39.673970 .00000 -5.9856 3 2886.4760262 -4150913036515 2 6415 2 CH3CN, v8=1
39.685148 .00000 -6.0371 3 2908.0356262 -4150913036517 3 6417 3 CH3CN, v8=1
39.706047 .00000 -5.6679 3 2735.6991262 -4150913036514 2 64a4 2 CH3CN, v8=1
39.706047 .00000 -5.6679 3 2735.6991262 -41509130365a4 2 6414 2 CH3CN, v8=1
39.707869 .00000 -5.7155 3 2755.6252262 -4150913036516 3 64a6 3 CH3CN, v8=1
39.707869 .00000 -5.7155 3 2755.6252262 -41509130365a6 3 6416 3 CH3CN, v8=1
39.722421 .00000 -5.3711 3 2593.6631262 -4150913036513 2 6413 2 CH3CN, v8=1
39.729309 .00000 -5.4144 3 2612.8444262 4150913036515 3 6415 3 CH3CN, v8=1
39.736594 .00000 -5.0913 3 2461.9693262 4150913036512 2 6412 2 CH3CN, v8=1
39.749139 .00000 -5.1336 3 2479.7351262 4150913036514 3 6414 3 CH3CN, v8=1
39.754352 .00000 -4.8342 3 2339.8890262 -4150913036511 2 64a1 2 CH3CN, v8=1
39.754352 .00000 -4.8342 3 2339.8890262 -41509130365a1 2 6411 2 CH3CN, v8=1
39.767735 .00000 -4.8732 3 2356.3155262 -4150913036513 3 64a3 3 CH3CN, v8=1
39.767735 .00000 -4.8732 3 2356.3155262 -41509130365a3 3 6413 3 CH3CN, v8=1
39.770713 .00000 -4.5976 3 2227.5188262 -4150913036510 2 6410 2 CH3CN, v8=1
39.784967 .00000 -4.6334 3 2242.6156262 -4150913036512 3 6412 3 CH3CN, v8=1
39.785571 .00000 -4.3815 3 2124.8900262 -41509130365 9 2 64 9 2 CH3CN, v8=1
39.798871 .00000 -4.1860 3 2032.0270262 -41509130365-8 2 64 8 2 CH3CN, v8=1
39.798871 .00000 -4.1860 3 2032.0270262 -41509130365 8 2 64-8 2 CH3CN, v8=1
39.800847 .00000 -4.4140 3 2138.6608262 -4150913036511 3 6411 3 CH3CN, v8=1
39.810560 .00000 -4.0112 3 1948.9503262 -41509130365 7 2 64 7 2 CH3CN, v8=1
39.815403 .00000 -4.2153 3 2044.4742262 -4150913036510 3 64a0 3 CH3CN, v8=1
39.815403 .00000 -4.2153 3 2044.4742262 -41509130365a0 3 6410 3 CH3CN, v8=1
39.820566 .00000 -3.8571 3 1875.6778262 -41509130365 6 2 64 6 2 CH3CN, v8=1
39.828673 .00000 -4.0373 3 1960.0776262 41509130365 9 3 64 9 3 CH3CN, v8=1
39.828785 .00000 -3.7236 3 1812.2240262 -41509130365-5 2 64 5 2 CH3CN, v8=1
39.828785 .00000 -3.7236 3 1812.2240262 -41509130365 5 2 64-5 2 CH3CN, v8=1
39.829275 .00000 -3.3573 3 1637.5726262 -41509130365 1 3 64-1 3 CH3CN, v8=1
39.833138 .00000 -3.3671 3 1642.3343262 -41509130365 0 2 64 0 2 CH3CN, v8=1
39.835050 .00000 -3.6109 3 1758.6001262 -41509130365 4 2 64 4 2 CH3CN, v8=1
39.838459 .00000 -3.3971 3 1656.7191262 -41509130365 1 2 64 1 2 CH3CN, v8=1
39.839089 .00000 -3.5189 3 1714.8123262 -41509130365 3 2 64 3 2 CH3CN, v8=1
39.840444 .00000 -3.4476 3 1680.8584262 -41509130365-2 2 64 2 2 CH3CN, v8=1
39.840444 .00000 -3.4476 3 1680.8584262 -41509130365 2 2 64-2 2 CH3CN, v8=1
39.840714 .00000 -3.8799 3 1885.4908262 -41509130365 8 3 64 8 3 CH3CN, v8=1
39.851623 .00000 -3.7432 3 1820.7323262 -41509130365-7 3 64 7 3 CH3CN, v8=1
39.851623 .00000 -3.7432 3 1820.7323262 -41509130365 7 3 64-7 3 CH3CN, v8=1
39.861556 .00000 -3.6273 3 1765.8199262 -41509130365 6 3 64 6 3 CH3CN, v8=1
39.870779 .00000 -3.5321 3 1720.7717262 -41509130365 5 3 64 5 3 CH3CN, v8=1
39.879743 .00000 -3.4577 3 1685.6101262 -41509130365-4 3 64 4 3 CH3CN, v8=1
39.879743 .00000 -3.4577 3 1685.6101262 -41509130365 4 3 64-4 3 CH3CN, v8=1
39.889104 .00000 -3.4043 3 1660.3699262 -41509130365 3 3 64 3 3 CH3CN, v8=1
39.898851 .00000 -3.3718 3 1645.1226262 -41509130365 2 3 64 2 3 CH3CN, v8=1
39.904189 .00000 -3.3608 3 1640.0062262 -41509130365-1 3 64 1 3 CH3CN, v8=1
40.230090 .00000 -6.7482 3 3257.0347266 4150913036617 2 65a7 2 CH3CN, v8=1
40.230090 .00000 -6.7482 3 3257.0347266 41509130366a7 2 6517 2 CH3CN, v8=1
40.241314 .00000 -6.8043 3 3281.2625266 4150913036619 3 65a9 3 CH3CN, v8=1
40.241314 .00000 -6.8043 3 3281.2625266 41509130366a9 3 6519 3 CH3CN, v8=1
40.255657 .00000 -6.3866 3 3086.7956266 4150913036616 2 6516 2 CH3CN, v8=1
40.267136 .00000 -6.4413 3 3109.7085266 4150913036618 3 6518 3 CH3CN, v8=1
40.279996 .00000 -6.0483 3 2926.1499266 4150913036615 2 6515 2 CH3CN, v8=1
40.291570 .00000 -6.0996 3 2947.7207266 4150913036617 3 6517 3 CH3CN, v8=1
40.313064 .00000 -5.7307 3 2775.4051266 4150913036614 2 65a4 2 CH3CN, v8=1
40.313064 .00000 -5.7307 3 2775.4051266 41509130366a4 2 6514 2 CH3CN, v8=1
40.314618 .00000 -5.7782 3 2795.3331266 4150913036616 3 65a6 3 CH3CN, v8=1
40.314618 .00000 -5.7782 3 2795.3331266 41509130366a6 3 6516 3 CH3CN, v8=1
40.327755 .00000 -5.4318 3 2633.3855266 4150913036613 2 6513 2 CH3CN, v8=1
40.336341 .00000 -5.4772 3 2652.5737266 4150913036615 3 6515 3 CH3CN, v8=1
40.343458 .00000 -5.1544 3 2501.7059266 4150913036612 2 6512 2 CH3CN, v8=1
40.356482 .00000 -5.1965 3 2519.4843266 4150913036614 3 6514 3 CH3CN, v8=1
40.361454 .00000 -4.8976 3 2379.6434266 4150913036611 2 65a1 2 CH3CN, v8=1
40.361454 .00000 -4.8976 3 2379.6434266 41509130366a1 2 6511 2 CH3CN, v8=1
40.375350 .00000 -4.9363 3 2396.0832266 4150913036613 3 65a3 3 CH3CN, v8=1
40.375350 .00000 -4.9363 3 2396.0832266 41509130366a3 3 6513 3 CH3CN, v8=1
40.378027 .00000 -4.6609 3 2267.2895266 4150913036610 2 6510 2 CH3CN, v8=1
40.392836 .00000 -4.6966 3 2282.4006266 4150913036612 3 6512 3 CH3CN, v8=1
40.393075 .00000 -4.4450 3 2164.6756266 41509130366 9 2 65 9 2 CH3CN, v8=1
40.406540 .00000 -4.2496 3 2071.8259266 41509130366-8 2 65 8 2 CH3CN, v8=1
40.406540 .00000 -4.2496 3 2071.8259266 41509130366 8 2 65-8 2 CH3CN, v8=1
40.408956 .00000 -4.4776 3 2178.4616266 4150913036611 3 6511 3 CH3CN, v8=1
40.418368 .00000 -4.0748 3 1988.7609266 41509130366 7 2 65 7 2 CH3CN, v8=1
40.423736 .00000 -4.2788 3 2084.2896266 4150913036610 3 65a0 3 CH3CN, v8=1
40.423736 .00000 -4.2788 3 2084.2896266 41509130366a0 3 6510 3 CH3CN, v8=1
40.428484 .00000 -3.9207 3 1915.4984266 41509130366 6 2 65 6 2 CH3CN, v8=1
40.436781 .00000 -3.7873 3 1852.0528266 41509130366-5 2 65 5 2 CH3CN, v8=1
40.436781 .00000 -3.7873 3 1852.0528266 41509130366 5 2 65-5 2 CH3CN, v8=1
40.437214 .00000 -4.1009 3 1999.9063266 41509130366 9 3 65 9 3 CH3CN, v8=1
40.437564 .00000 -3.4210 3 1677.4019266 41509130366-1 3 65 1 3 CH3CN, v8=1
40.441257 .00000 -3.4309 3 1682.1675266 41509130366 0 2 65 0 2 CH3CN, v8=1
40.443091 .00000 -3.6746 3 1798.4351266 41509130366 4 2 65 4 2 CH3CN, v8=1
40.446468 .00000 -3.4609 3 1696.5576266 41509130366 1 2 65 1 2 CH3CN, v8=1
40.447138 .00000 -3.5827 3 1754.6513266 41509130366 3 2 65 3 2 CH3CN, v8=1
40.448470 .00000 -3.5114 3 1720.6988266 41509130366 2 2 65-2 2 CH3CN, v8=1
40.448470 .00000 -3.5114 3 1720.6988266 41509130366-2 2 65 2 2 CH3CN, v8=1
40.449453 .00000 -3.9435 3 1925.3315266 41509130366 8 3 65 8 3 CH3CN, v8=1
40.460549 .00000 -3.8069 3 1860.5839266 41509130366-7 3 65 7 3 CH3CN, v8=1
40.460549 .00000 -3.8069 3 1860.5839266 41509130366 7 3 65-7 3 CH3CN, v8=1
40.470662 .00000 -3.6910 3 1805.6814266 41509130366 6 3 65 6 3 CH3CN, v8=1
40.480062 .00000 -3.5959 3 1760.6425266 41509130366 5 3 65 5 3 CH3CN, v8=1
40.489194 .00000 -3.5216 3 1725.4898266 41509130366 4 3 65-4 3 CH3CN, v8=1
40.489194 .00000 -3.5216 3 1725.4898266 41509130366-4 3 65 4 3 CH3CN, v8=1
40.498673 .00000 -3.4682 3 1700.2590266 41509130366 3 3 65 3 3 CH3CN, v8=1
40.508372 .00000 -3.4357 3 1685.0214266 41509130366 2 3 65 2 3 CH3CN, v8=1
40.513561 .00000 -3.4247 3 1679.9104266 41509130366 1 3 65-1 3 CH3CN, v8=1
40.835247 .00000 -6.8092 3 3297.2648270 4150913036717 2 66a7 2 CH3CN, v8=1
40.835247 .00000 -6.8092 3 3297.2648270 41509130367a7 2 6617 2 CH3CN, v8=1
40.846843 .00000 -6.8671 3 3321.5038270 4150913036719 3 66a9 3 CH3CN, v8=1
40.846843 .00000 -6.8671 3 3321.5038270 41509130367a9 3 6619 3 CH3CN, v8=1
40.861157 .00000 -6.4507 3 3127.0513270 4150913036716 2 6616 2 CH3CN, v8=1
40.873025 .00000 -6.5052 3 3149.9756270 4150913036718 3 6618 3 CH3CN, v8=1
40.885825 .00000 -6.1125 3 2966.4299270 4150913036715 2 6615 2 CH3CN, v8=1
40.897802 .00000 -6.1637 3 2988.0123270 4150913036717 3 6617 3 CH3CN, v8=1
40.919950 .00000 -5.7952 3 2815.7182270 4150913036714 2 66a4 2 CH3CN, v8=1
40.919950 .00000 -5.7952 3 2815.7182270 41509130367a4 2 6614 2 CH3CN, v8=1
40.921175 .00000 -5.8425 3 2835.6477270 4150913036716 3 66a6 3 CH3CN, v8=1
40.921175 .00000 -5.8425 3 2835.6477270 41509130367a6 3 6616 3 CH3CN, v8=1
40.933386 .00000 -5.4964 3 2673.7133270 4150913036713 2 6613 2 CH3CN, v8=1
40.943185 .00000 -5.5416 3 2692.9100270 4150913036715 3 6615 3 CH3CN, v8=1
40.950118 .00000 -5.2191 3 2542.0494270 4150913036712 2 6612 2 CH3CN, v8=1
40.963632 .00000 -5.2611 3 2559.8408270 4150913036714 3 6614 3 CH3CN, v8=1
40.968348 .00000 -4.9624 3 2420.0048270 4150913036711 2 66a1 2 CH3CN, v8=1
40.968348 .00000 -4.9624 3 2420.0048270 41509130367a1 2 6611 2 CH3CN, v8=1
40.982772 .00000 -5.0010 3 2436.4586270 4150913036713 3 66a3 3 CH3CN, v8=1
40.982772 .00000 -5.0010 3 2436.4586270 41509130367a3 3 6613 3 CH3CN, v8=1
40.985134 .00000 -4.7259 3 2307.6675270 4150913036710 2 6610 2 CH3CN, v8=1
41.000369 .00000 -4.5100 3 2205.0687270 41509130367 9 2 66 9 2 CH3CN, v8=1
41.000512 .00000 -4.7614 3 2322.7934270 4150913036712 3 6612 3 CH3CN, v8=1
41.013998 .00000 -4.3147 3 2112.2324270 41509130367-8 2 66 8 2 CH3CN, v8=1
41.013998 .00000 -4.3147 3 2112.2324270 41509130367 8 2 66-8 2 CH3CN, v8=1
41.016870 .00000 -4.5426 3 2218.8706270 4150913036711 3 6611 3 CH3CN, v8=1
41.025962 .00000 -4.1400 3 2029.1793270 41509130367 7 2 66 7 2 CH3CN, v8=1
41.031872 .00000 -4.3438 3 2124.7134270 4150913036710 3 66a0 3 CH3CN, v8=1
41.031872 .00000 -4.3438 3 2124.7134270 41509130367a0 3 6610 3 CH3CN, v8=1
41.036187 .00000 -3.9859 3 1955.9268270 41509130367 6 2 66 6 2 CH3CN, v8=1
41.044562 .00000 -3.8526 3 1892.4896270 41509130367-5 2 66 5 2 CH3CN, v8=1
41.044562 .00000 -3.8526 3 1892.4896270 41509130367 5 2 66-5 2 CH3CN, v8=1
41.045560 .00000 -4.1659 3 2040.3435270 41509130367 9 3 66 9 3 CH3CN, v8=1
41.045648 .00000 -3.4864 3 1717.8394270 41509130367 1 3 66-1 3 CH3CN, v8=1
41.049177 .00000 -3.4963 3 1722.6087270 41509130367 0 2 66 0 2 CH3CN, v8=1
41.050916 .00000 -3.7399 3 1838.8782270 41509130367 4 2 66 4 2 CH3CN, v8=1
41.054271 .00000 -3.5263 3 1737.0040270 41509130367 1 2 66 1 2 CH3CN, v8=1
41.054971 .00000 -3.6480 3 1795.0985270 41509130367 3 2 66 3 2 CH3CN, v8=1
41.056283 .00000 -3.5768 3 1761.1473270 41509130367-2 2 66 2 2 CH3CN, v8=1
41.056283 .00000 -3.5768 3 1761.1473270 41509130367 2 2 66-2 2 CH3CN, v8=1
41.057996 .00000 -4.0087 3 1965.7810270 41509130367 8 3 66 8 3 CH3CN, v8=1
41.069279 .00000 -3.8723 3 1901.0445270 41509130367-7 3 66 7 3 CH3CN, v8=1
41.069279 .00000 -3.8723 3 1901.0445270 41509130367 7 3 66-7 3 CH3CN, v8=1
41.079574 .00000 -3.7563 3 1846.1521270 41509130367 6 3 66 6 3 CH3CN, v8=1
41.089149 .00000 -3.6613 3 1801.1226270 41509130367 5 3 66 5 3 CH3CN, v8=1
41.098444 .00000 -3.5870 3 1765.9790270 41509130367-4 3 66 4 3 CH3CN, v8=1
41.098444 .00000 -3.5870 3 1765.9790270 41509130367 4 3 66-4 3 CH3CN, v8=1
41.108035 .00000 -3.5337 3 1740.7577270 41509130367 3 3 66 3 3 CH3CN, v8=1
41.117679 .00000 -3.5012 3 1725.5298270 41509130367 2 3 66 2 3 CH3CN, v8=1
41.122725 .00000 -3.4902 3 1720.4240270 41509130367-1 3 66 1 3 CH3CN, v8=1
41.440204 .00000 -6.8750 3 3338.1001274 4150913036817 2 67a7 2 CH3CN, v8=1
41.440204 .00000 -6.8750 3 3338.1001274 41509130368a7 2 6717 2 CH3CN, v8=1
41.452181 .00000 -6.9325 3 3362.3506274 4150913036819 3 67a9 3 CH3CN, v8=1
41.452181 .00000 -6.9325 3 3362.3506274 41509130368a9 3 6719 3 CH3CN, v8=1
41.466456 .00000 -6.5165 3 3167.9124274 4150913036816 2 6716 2 CH3CN, v8=1
41.478723 .00000 -6.5708 3 3190.8486274 4150913036818 3 6718 3 CH3CN, v8=1
41.491452 .00000 -6.1784 3 3007.3158274 4150913036815 2 6715 2 CH3CN, v8=1
41.503841 .00000 -6.2295 3 3028.9101274 4150913036817 3 6717 3 CH3CN, v8=1
41.526708 .00000 -5.8613 3 2856.6381274 4150913036814 2 67a4 2 CH3CN, v8=1
41.526708 .00000 -5.8613 3 2856.6381274 41509130368a4 2 6714 2 CH3CN, v8=1
41.527537 .00000 -5.9084 3 2876.5688274 4150913036816 3 67a6 3 CH3CN, v8=1
41.527537 .00000 -5.9084 3 2876.5688274 41509130368a6 3 6716 3 CH3CN, v8=1
41.539082 .00000 -5.5626 3 2714.6467274 4150913036813 2 6713 2 CH3CN, v8=1
41.549838 .00000 -5.6076 3 2733.8532274 4150913036815 3 6715 3 CH3CN, v8=1
41.556570 .00000 -5.2854 3 2582.9995274 4150913036812 2 6712 2 CH3CN, v8=1
41.570586 .00000 -5.3272 3 2600.8044274 4150913036814 3 6714 3 CH3CN, v8=1
41.575033 .00000 -5.0287 3 2460.9732274 4150913036811 2 67a1 2 CH3CN, v8=1
41.575033 .00000 -5.0287 3 2460.9732274 41509130368a1 2 6711 2 CH3CN, v8=1
41.589996 .00000 -5.0672 3 2477.4413274 4150913036813 3 67a3 3 CH3CN, v8=1
41.589996 .00000 -5.0672 3 2477.4413274 41509130368a3 3 6713 3 CH3CN, v8=1
41.592029 .00000 -4.7924 3 2348.6526274 4150913036810 2 6710 2 CH3CN, v8=1
41.607451 .00000 -4.5766 3 2246.0690274 41509130368 9 2 67 9 2 CH3CN, v8=1
41.607990 .00000 -4.8278 3 2363.7940274 4150913036812 3 6712 3 CH3CN, v8=1
41.621242 .00000 -4.3813 3 2153.2464274 41509130368-8 2 67 8 2 CH3CN, v8=1
41.621242 .00000 -4.3813 3 2153.2464274 41509130368 8 2 67-8 2 CH3CN, v8=1
41.624586 .00000 -4.6089 3 2259.8874274 4150913036811 3 6711 3 CH3CN, v8=1
41.633342 .00000 -4.2067 3 2070.2052274 41509130368 7 2 67 7 2 CH3CN, v8=1
41.639811 .00000 -4.4103 3 2165.7453274 4150913036810 3 67a0 3 CH3CN, v8=1
41.639811 .00000 -4.4103 3 2165.7453274 41509130368a0 3 6710 3 CH3CN, v8=1
41.643674 .00000 -4.0527 3 1996.9630274 41509130368 6 2 67 6 2 CH3CN, v8=1
41.652126 .00000 -3.9194 3 1933.5341274 41509130368-5 2 67 5 2 CH3CN, v8=1
41.652126 .00000 -3.9194 3 1933.5341274 41509130368 5 2 67-5 2 CH3CN, v8=1
41.653523 .00000 -3.5533 3 1758.8851274 41509130368-1 3 67 1 3 CH3CN, v8=1
41.653708 .00000 -4.2328 3 2081.3891274 41509130368 9 3 67 9 3 CH3CN, v8=1
41.656894 .00000 -3.5632 3 1763.6579274 41509130368 0 2 67 0 2 CH3CN, v8=1
41.658522 .00000 -3.8068 3 1879.9291274 41509130368 4 2 67 4 2 CH3CN, v8=1
41.661867 .00000 -3.5932 3 1778.0583274 41509130368 1 2 67 1 2 CH3CN, v8=1
41.662586 .00000 -3.7149 3 1836.1535274 41509130368 3 2 67 3 2 CH3CN, v8=1
41.663880 .00000 -3.6437 3 1802.2036274 41509130368 2 2 67-2 2 CH3CN, v8=1
41.663880 .00000 -3.6437 3 1802.2036274 41509130368-2 2 67 2 2 CH3CN, v8=1
41.666341 .00000 -4.0754 3 2006.8390274 41509130368 8 3 67 8 3 CH3CN, v8=1
41.677812 .00000 -3.9392 3 1942.1138274 41509130368-7 3 67 7 3 CH3CN, v8=1
41.677812 .00000 -3.9392 3 1942.1138274 41509130368 7 3 67-7 3 CH3CN, v8=1
41.688287 .00000 -3.8232 3 1887.2316274 41509130368 6 3 67 6 3 CH3CN, v8=1
41.698036 .00000 -3.7282 3 1842.2117274 41509130368 5 3 67 5 3 CH3CN, v8=1
41.707492 .00000 -3.6539 3 1807.0775274 41509130368 4 3 67-4 3 CH3CN, v8=1
41.707492 .00000 -3.6539 3 1807.0775274 41509130368-4 3 67 4 3 CH3CN, v8=1
41.717186 .00000 -3.6006 3 1781.8657274 41509130368 3 3 67 3 3 CH3CN, v8=1
41.726770 .00000 -3.5682 3 1766.6475274 41509130368 2 3 67 2 3 CH3CN, v8=1
41.731678 .00000 -3.5573 3 1761.5467274 41509130368 1 3 67-1 3 CH3CN, v8=1
42.044960 .00000 -6.9429 3 3379.5403278 4150913036917 2 68a7 2 CH3CN, v8=1
42.044960 .00000 -6.9429 3 3379.5403278 41509130369a7 2 6817 2 CH3CN, v8=1
42.057326 .00000 -7.0019 3 3403.8028278 4150913036919 3 68a9 3 CH3CN, v8=1
42.057326 .00000 -7.0019 3 3403.8028278 41509130369a9 3 6819 3 CH3CN, v8=1
42.071552 .00000 -6.5838 3 3209.3789278 4150913036916 2 6816 2 CH3CN, v8=1
42.084226 .00000 -6.6379 3 3232.3274278 4150913036918 3 6818 3 CH3CN, v8=1
42.096873 .00000 -6.2459 3 3048.8072278 4150913036915 2 6815 2 CH3CN, v8=1
42.109683 .00000 -6.2968 3 3070.4139278 4150913036917 3 6817 3 CH3CN, v8=1
42.133346 .00000 -5.9289 3 2898.1648278 4150913036914 2 68a4 2 CH3CN, v8=1
42.133346 .00000 -5.9289 3 2898.1648278 41509130369a4 2 6814 2 CH3CN, v8=1
42.133702 .00000 -5.9758 3 2918.0964278 4150913036916 3 68a6 3 CH3CN, v8=1
42.133702 .00000 -5.9758 3 2918.0964278 41509130369a6 3 6816 3 CH3CN, v8=1
42.144726 .00000 -5.6303 3 2756.1858278 4150913036913 2 6813 2 CH3CN, v8=1
42.156296 .00000 -5.6756 3 2775.4030278 4150913036915 3 6815 3 CH3CN, v8=1
42.162812 .00000 -5.3533 3 2624.5561278 4150913036912 2 6812 2 CH3CN, v8=1
42.177341 .00000 -5.3949 3 2642.3750278 4150913036914 3 6814 3 CH3CN, v8=1
42.181506 .00000 -5.0966 3 2502.5482278 4150913036911 2 68a1 2 CH3CN, v8=1
42.181506 .00000 -5.0966 3 2502.5482278 41509130369a1 2 6811 2 CH3CN, v8=1
42.197021 .00000 -5.1350 3 2519.0313278 4150913036913 3 68a3 3 CH3CN, v8=1
42.197021 .00000 -5.1350 3 2519.0313278 41509130369a3 3 6813 3 CH3CN, v8=1
42.198711 .00000 -4.8604 3 2390.2447278 4150913036910 2 6810 2 CH3CN, v8=1
42.214319 .00000 -4.6446 3 2287.6765278 41509130369 9 2 68 9 2 CH3CN, v8=1
42.215269 .00000 -4.8957 3 2405.4019278 4150913036912 3 6812 3 CH3CN, v8=1
42.228270 .00000 -4.4495 3 2194.8676278 41509130369-8 2 68 8 2 CH3CN, v8=1
42.228270 .00000 -4.4495 3 2194.8676278 41509130369 8 2 68-8 2 CH3CN, v8=1
42.232102 .00000 -4.6768 3 2301.5120278 4150913036911 3 6811 3 CH3CN, v8=1
42.240504 .00000 -4.2750 3 2111.8386278 41509130369 7 2 68 7 2 CH3CN, v8=1
42.247550 .00000 -4.4785 3 2207.3851278 4150913036910 3 68a0 3 CH3CN, v8=1
42.247550 .00000 -4.4785 3 2207.3851278 41509130369a0 3 6810 3 CH3CN, v8=1
42.250942 .00000 -4.1211 3 2038.6067278 41509130369 6 2 68 6 2 CH3CN, v8=1
42.259469 .00000 -3.9878 3 1975.1863278 41509130369-5 2 68 5 2 CH3CN, v8=1
42.259469 .00000 -3.9878 3 1975.1863278 41509130369 5 2 68-5 2 CH3CN, v8=1
42.261187 .00000 -3.6217 3 1800.5386278 41509130369 1 3 68-1 3 CH3CN, v8=1
42.261655 .00000 -4.3009 3 2123.0428278 41509130369 9 3 68 9 3 CH3CN, v8=1
42.264406 .00000 -3.6317 3 1805.3148278 41509130369 0 2 68 0 2 CH3CN, v8=1
42.265908 .00000 -3.8752 3 1921.5877278 41509130369 4 2 68 4 2 CH3CN, v8=1
42.269252 .00000 -3.6618 3 1819.7202278 41509130369 1 2 68 1 2 CH3CN, v8=1
42.269981 .00000 -3.7834 3 1877.8160278 41509130369 3 2 68 3 2 CH3CN, v8=1
42.271260 .00000 -3.7122 3 1843.8675278 41509130369-2 2 68 2 2 CH3CN, v8=1
42.271260 .00000 -3.7122 3 1843.8675278 41509130369 2 2 68-2 2 CH3CN, v8=1
42.274485 .00000 -4.1437 3 2048.5053278 41509130369 8 3 68 8 3 CH3CN, v8=1
42.286143 .00000 -4.0072 3 1983.7916278 41509130369-7 3 68 7 3 CH3CN, v8=1
42.286143 .00000 -4.0072 3 1983.7916278 41509130369 7 3 68-7 3 CH3CN, v8=1
42.296798 .00000 -3.8916 3 1928.9199278 41509130369 6 3 68 6 3 CH3CN, v8=1
42.306720 .00000 -3.7966 3 1883.9097278 41509130369 5 3 68 5 3 CH3CN, v8=1
42.316332 .00000 -3.7224 3 1848.7850278 41509130369-4 3 68 4 3 CH3CN, v8=1
42.316332 .00000 -3.7224 3 1848.7850278 41509130369 4 3 68-4 3 CH3CN, v8=1
42.326124 .00000 -3.6691 3 1823.5829278 41509130369 3 3 68 3 3 CH3CN, v8=1
42.335641 .00000 -3.6368 3 1808.3743278 41509130369 2 3 68 2 3 CH3CN, v8=1
42.340416 .00000 -3.6259 3 1803.2784278 41509130369-1 3 68 1 3 CH3CN, v8=1
42.649511 .00000 -7.0117 3 3421.5852282 4150913037017 2 69a7 2 CH3CN, v8=1
42.649511 .00000 -7.0117 3 3421.5852282 41509130370a7 2 6917 2 CH3CN, v8=1
42.662274 .00000 -7.0718 3 3445.8601282 4150913037019 3 69a9 3 CH3CN, v8=1
42.662274 .00000 -7.0718 3 3445.8601282 41509130370a9 3 6919 3 CH3CN, v8=1
42.676440 .00000 -6.6527 3 3251.4504282 4150913037016 2 6916 2 CH3CN, v8=1
42.689531 .00000 -6.7066 3 3274.4116282 4150913037018 3 6918 3 CH3CN, v8=1
42.702088 .00000 -6.3157 3 3090.9041282 4150913037015 2 6915 2 CH3CN, v8=1
42.715327 .00000 -6.3657 3 3112.5236282 4150913037017 3 6917 3 CH3CN, v8=1
42.739668 .00000 -6.0448 3 2960.2301282 4150913037016 3 69a6 3 CH3CN, v8=1
42.739668 .00000 -6.0448 3 2960.2301282 41509130370a6 3 6916 3 CH3CN, v8=1
42.739874 .00000 -5.9981 3 2940.2982282 4150913037014 2 69a4 2 CH3CN, v8=1
42.739874 .00000 -5.9981 3 2940.2982282 41509130370a4 2 6914 2 CH3CN, v8=1
42.750256 .00000 -5.6996 3 2798.3305282 4150913037013 2 6913 2 CH3CN, v8=1
42.762554 .00000 -5.7447 3 2817.5593282 4150913037015 3 6915 3 CH3CN, v8=1
42.768840 .00000 -5.4227 3 2666.7189282 4150913037012 2 6912 2 CH3CN, v8=1
42.783894 .00000 -5.4642 3 2684.5523282 4150913037014 3 6914 3 CH3CN, v8=1
42.787764 .00000 -5.1661 3 2544.7297282 4150913037011 2 69a1 2 CH3CN, v8=1
42.787764 .00000 -5.1661 3 2544.7297282 41509130370a1 2 6911 2 CH3CN, v8=1
42.803844 .00000 -5.2045 3 2561.2283282 4150913037013 3 69a3 3 CH3CN, v8=1
42.803844 .00000 -5.2045 3 2561.2283282 41509130370a3 3 6913 3 CH3CN, v8=1
42.805176 .00000 -4.9300 3 2432.4434282 4150913037010 2 6910 2 CH3CN, v8=1
42.820968 .00000 -4.7143 3 2329.8908282 41509130370 9 2 69 9 2 CH3CN, v8=1
42.822344 .00000 -4.9652 3 2447.6172282 4150913037012 3 6912 3 CH3CN, v8=1
42.835078 .00000 -4.5193 3 2237.0959282 41509130370-8 2 69 8 2 CH3CN, v8=1
42.835078 .00000 -4.5193 3 2237.0959282 41509130370 8 2 69-8 2 CH3CN, v8=1
42.839414 .00000 -4.7464 3 2343.7441282 4150913037011 3 6911 3 CH3CN, v8=1
42.847445 .00000 -4.3448 3 2154.0791282 41509130370 7 2 69 7 2 CH3CN, v8=1
42.855084 .00000 -4.5482 3 2249.6326282 4150913037010 3 69a0 3 CH3CN, v8=1
42.855084 .00000 -4.5482 3 2249.6326282 41509130370a0 3 6910 3 CH3CN, v8=1
42.857987 .00000 -4.1909 3 2080.8576282 41509130370 6 2 69 6 2 CH3CN, v8=1
42.866588 .00000 -4.0577 3 2017.4457282 41509130370-5 2 69 5 2 CH3CN, v8=1
42.866588 .00000 -4.0577 3 2017.4457282 41509130370 5 2 69-5 2 CH3CN, v8=1
42.868638 .00000 -3.6917 3 1842.7998282 41509130370-1 3 69 1 3 CH3CN, v8=1
42.869398 .00000 -4.3706 3 2165.3044282 41509130370 9 3 69 9 3 CH3CN, v8=1
42.871709 .00000 -3.7017 3 1847.5792282 41509130370 0 2 69 0 2 CH3CN, v8=1
42.873070 .00000 -3.9452 3 1963.8536282 41509130370 4 2 69 4 2 CH3CN, v8=1
42.876424 .00000 -3.7316 3 1861.9894282 41509130370 1 2 69 1 2 CH3CN, v8=1
42.877153 .00000 -3.8534 3 1920.0860282 41509130370 3 2 69 3 2 CH3CN, v8=1
42.878420 .00000 -3.7822 3 1886.1387282 41509130370 2 2 69-2 2 CH3CN, v8=1
42.878420 .00000 -3.7822 3 1886.1387282 41509130370-2 2 69 2 2 CH3CN, v8=1
42.882424 .00000 -4.2135 3 2090.7798282 41509130370 8 3 69 8 3 CH3CN, v8=1
42.894270 .00000 -4.0772 3 2026.0777282 41509130370-7 3 69 7 3 CH3CN, v8=1
42.894270 .00000 -4.0772 3 2026.0777282 41509130370 7 3 69-7 3 CH3CN, v8=1
42.905104 .00000 -3.9616 3 1971.2167282 41509130370 6 3 69 6 3 CH3CN, v8=1
42.915198 .00000 -3.8666 3 1926.2165282 41509130370 5 3 69 5 3 CH3CN, v8=1
42.924963 .00000 -3.7925 3 1891.1013282 41509130370 4 3 69-4 3 CH3CN, v8=1
42.924963 .00000 -3.7925 3 1891.1013282 41509130370-4 3 69 4 3 CH3CN, v8=1
42.934843 .00000 -3.7392 3 1865.9091282 41509130370 3 3 69 3 3 CH3CN, v8=1
42.944289 .00000 -3.7069 3 1850.7099282 41509130370 2 3 69 2 3 CH3CN, v8=1
42.948938 .00000 -3.6960 3 1845.6188282 41509130370 1 3 69-1 3 CH3CN, v8=1
43.253855 .00000 -7.0810 3 3464.2348286 4150913037117 2 70a7 2 CH3CN, v8=1
43.253855 .00000 -7.0810 3 3464.2348286 41509130371a7 2 7017 2 CH3CN, v8=1
43.281120 .00000 -6.7231 3 3294.1269286 4150913037116 2 7016 2 CH3CN, v8=1
43.294635 .00000 -6.7769 3 3317.1011286 4150913037118 3 7018 3 CH3CN, v8=1
43.307092 .00000 -6.3857 3 3133.6062286 4150913037115 2 7015 2 CH3CN, v8=1
43.320769 .00000 -6.4361 3 3155.2389286 4150913037117 3 7017 3 CH3CN, v8=1
43.345430 .00000 -6.1154 3 3002.9698286 4150913037116 3 70a6 3 CH3CN, v8=1
43.345430 .00000 -6.1154 3 3002.9698286 41509130371a6 3 7016 3 CH3CN, v8=1
43.346301 .00000 -6.0689 3 2983.0381286 4150913037114 2 70a4 2 CH3CN, v8=1
43.346301 .00000 -6.0689 3 2983.0381286 41509130371a4 2 7014 2 CH3CN, v8=1
43.355634 .00000 -5.7703 3 2841.0807286 4150913037113 2 7013 2 CH3CN, v8=1
43.368610 .00000 -5.8151 3 2860.3219286 4150913037115 3 7015 3 CH3CN, v8=1
43.374651 .00000 -5.4936 3 2709.4877286 4150913037112 2 7012 2 CH3CN, v8=1
43.390242 .00000 -5.5351 3 2727.3362286 4150913037114 3 7014 3 CH3CN, v8=1
43.393804 .00000 -5.2371 3 2587.5175286 4150913037111 2 70a1 2 CH3CN, v8=1
43.393804 .00000 -5.2371 3 2587.5175286 41509130371a1 2 7011 2 CH3CN, v8=1
43.410461 .00000 -5.2755 3 2604.0322286 4150913037113 3 70a3 3 CH3CN, v8=1
43.410461 .00000 -5.2755 3 2604.0322286 41509130371a3 3 7013 3 CH3CN, v8=1
43.411422 .00000 -5.0011 3 2475.2486286 4150913037110 2 7010 2 CH3CN, v8=1
43.427395 .00000 -4.7860 3 2372.7118286 41509130371 9 2 70 9 2 CH3CN, v8=1
43.429213 .00000 -5.0363 3 2490.4396286 4150913037112 3 7012 3 CH3CN, v8=1
43.441663 .00000 -4.5906 3 2279.9310286 41509130371-8 2 70 8 2 CH3CN, v8=1
43.441663 .00000 -4.5906 3 2279.9310286 41509130371 8 2 70-8 2 CH3CN, v8=1
43.446519 .00000 -4.8176 3 2386.5835286 4150913037111 3 7011 3 CH3CN, v8=1
43.454161 .00000 -4.4162 3 2196.9265286 41509130371 7 2 70 7 2 CH3CN, v8=1
43.462411 .00000 -4.6194 3 2292.4877286 4150913037110 3 70a0 3 CH3CN, v8=1
43.462411 .00000 -4.6194 3 2292.4877286 41509130371a0 3 7010 3 CH3CN, v8=1
43.464807 .00000 -4.2624 3 2123.7156286 41509130371 6 2 70 6 2 CH3CN, v8=1
43.473482 .00000 -4.1292 3 2060.3123286 41509130371-5 2 70 5 2 CH3CN, v8=1
43.473482 .00000 -4.1292 3 2060.3123286 41509130371 5 2 70-5 2 CH3CN, v8=1
43.475871 .00000 -3.7632 3 1885.6684286 41509130371 1 3 70-1 3 CH3CN, v8=1
43.476933 .00000 -4.4420 3 2208.1738286 41509130371 9 3 70 9 3 CH3CN, v8=1
43.478800 .00000 -3.7732 3 1890.4509286 41509130371 0 2 70 0 2 CH3CN, v8=1
43.480005 .00000 -4.0167 3 2006.7266286 41509130371 4 2 70 4 2 CH3CN, v8=1
43.483380 .00000 -3.8032 3 1904.8659286 41509130371 1 2 70 1 2 CH3CN, v8=1
43.484098 .00000 -3.9249 3 1962.9632286 41509130371 3 2 70 3 2 CH3CN, v8=1
43.485358 .00000 -3.8537 3 1929.0171286 41509130371-2 2 70 2 2 CH3CN, v8=1
43.485358 .00000 -3.8537 3 1929.0171286 41509130371 2 2 70-2 2 CH3CN, v8=1
43.490156 .00000 -4.2849 3 2133.6622286 41509130371 8 3 70 8 3 CH3CN, v8=1
43.502189 .00000 -4.1486 3 2068.9720286 41509130371-7 3 70 7 3 CH3CN, v8=1
43.502189 .00000 -4.1486 3 2068.9720286 41509130371 7 3 70-7 3 CH3CN, v8=1
43.513202 .00000 -4.0331 3 2014.1218286 41509130371 6 3 70 6 3 CH3CN, v8=1
43.523465 .00000 -3.9382 3 1969.1317286 41509130371 5 3 70 5 3 CH3CN, v8=1
43.533379 .00000 -3.8641 3 1934.0263286 41509130371-4 3 70 4 3 CH3CN, v8=1
43.533379 .00000 -3.8641 3 1934.0263286 41509130371 4 3 70-4 3 CH3CN, v8=1
43.543340 .00000 -3.8109 3 1908.8439286 41509130371 3 3 70 3 3 CH3CN, v8=1
43.552713 .00000 -3.7786 3 1893.6542286 41509130371 2 3 70 2 3 CH3CN, v8=1
43.557239 .00000 -3.7677 3 1888.5677286 41509130371-1 3 70 1 3 CH3CN, v8=1
43.911889 .00000 -6.4579 3 3176.9133290 4150913037215 2 7115 2 CH3CN, v8=1
43.926006 .00000 -6.5081 3 3198.5597290 4150913037217 3 7117 3 CH3CN, v8=1
43.950987 .00000 -6.1875 3 3046.3152290 4150913037216 3 71a6 3 CH3CN, v8=1
43.950987 .00000 -6.1875 3 3046.3152290 41509130372a6 3 7116 3 CH3CN, v8=1
43.952640 .00000 -6.1411 3 3026.3844290 4150913037214 2 71a4 2 CH3CN, v8=1
43.952640 .00000 -6.1411 3 3026.3844290 41509130372a4 2 7114 2 CH3CN, v8=1
43.960837 .00000 -5.8427 3 2884.4364290 4150913037213 2 7113 2 CH3CN, v8=1
43.974460 .00000 -5.8873 3 2903.6905290 4150913037215 3 7115 3 CH3CN, v8=1
43.980242 .00000 -5.5661 3 2752.8624290 4150913037212 2 7112 2 CH3CN, v8=1
43.996383 .00000 -5.6074 3 2770.7265290 4150913037214 3 7114 3 CH3CN, v8=1
43.999622 .00000 -5.3097 3 2630.9113290 4150913037211 2 71a1 2 CH3CN, v8=1
43.999622 .00000 -5.3097 3 2630.9113290 41509130372a1 2 7111 2 CH3CN, v8=1
44.016868 .00000 -5.3479 3 2647.4427290 4150913037213 3 71a3 3 CH3CN, v8=1
44.016868 .00000 -5.3479 3 2647.4427290 41509130372a3 3 7113 3 CH3CN, v8=1
44.017444 .00000 -5.0738 3 2518.6600290 4150913037210 2 7110 2 CH3CN, v8=1
44.033598 .00000 -4.8592 3 2416.1392290 41509130372 9 2 71 9 2 CH3CN, v8=1
44.035872 .00000 -5.1088 3 2533.8688290 4150913037212 3 7112 3 CH3CN, v8=1
44.048022 .00000 -4.6634 3 2323.3727290 41509130372 8 2 71-8 2 CH3CN, v8=1
44.048022 .00000 -4.6634 3 2323.3727290 41509130372-8 2 71 8 2 CH3CN, v8=1
44.053414 .00000 -4.8903 3 2430.0301290 4150913037211 3 7111 3 CH3CN, v8=1
44.060650 .00000 -4.4891 3 2240.3807290 41509130372 7 2 71 7 2 CH3CN, v8=1
44.069527 .00000 -4.6922 3 2335.9501290 4150913037210 3 71a0 3 CH3CN, v8=1
44.069527 .00000 -4.6922 3 2335.9501290 41509130372a0 3 7110 3 CH3CN, v8=1
44.071398 .00000 -4.3353 3 2167.1804290 41509130372 6 2 71 6 2 CH3CN, v8=1
44.080145 .00000 -4.2024 3 2103.7858290 41509130372-5 2 71 5 2 CH3CN, v8=1
44.080145 .00000 -4.2024 3 2103.7858290 41509130372 5 2 71-5 2 CH3CN, v8=1
44.082883 .00000 -3.8363 3 1929.1443290 41509130372-1 3 71 1 3 CH3CN, v8=1
44.084258 .00000 -4.5149 3 2251.6508290 41509130372 9 3 71 9 3 CH3CN, v8=1
44.085675 .00000 -3.8462 3 1933.9297290 41509130372 0 2 71 0 2 CH3CN, v8=1
44.086710 .00000 -4.0897 3 2050.2067290 41509130372 4 2 71 4 2 CH3CN, v8=1
44.090118 .00000 -3.8762 3 1948.3492290 41509130372 1 2 71 1 2 CH3CN, v8=1
44.090815 .00000 -3.9979 3 2006.4473290 41509130372 3 2 71 3 2 CH3CN, v8=1
44.092070 .00000 -3.9268 3 1972.5025290 41509130372 2 2 71-2 2 CH3CN, v8=1
44.092070 .00000 -3.9268 3 1972.5025290 41509130372-2 2 71 2 2 CH3CN, v8=1
44.097677 .00000 -4.3578 3 2177.1524290 41509130372 8 3 71 8 3 CH3CN, v8=1
44.109896 .00000 -4.2216 3 2112.4742290 41509130372-7 3 71 7 3 CH3CN, v8=1
44.109896 .00000 -4.2216 3 2112.4742290 41509130372 7 3 71-7 3 CH3CN, v8=1
44.121087 .00000 -4.1061 3 2057.6350290 41509130372 6 3 71 6 3 CH3CN, v8=1
44.131519 .00000 -4.0113 3 2012.6551290 41509130372 5 3 71 5 3 CH3CN, v8=1
44.141577 .00000 -3.9372 3 1977.5596290 41509130372 4 3 71-4 3 CH3CN, v8=1
44.141577 .00000 -3.9372 3 1977.5596290 41509130372-4 3 71 4 3 CH3CN, v8=1
44.151613 .00000 -3.8840 3 1952.3872290 41509130372 3 3 71 3 3 CH3CN, v8=1
44.160907 .00000 -3.8518 3 1937.2069290 41509130372 2 3 71 2 3 CH3CN, v8=1
44.165317 .00000 -3.8409 3 1932.1249290 41509130372 1 3 71-1 3 CH3CN, v8=1
44.516539 .00000 -6.5315 3 3220.8252294 4150913037315 2 7215 2 CH3CN, v8=1
44.531035 .00000 -6.5816 3 3242.4857294 4150913037317 3 7217 3 CH3CN, v8=1
44.556334 .00000 -6.2612 3 3090.2662294 4150913037316 3 72a6 3 CH3CN, v8=1
44.556334 .00000 -6.2612 3 3090.2662294 41509130373a6 3 7216 3 CH3CN, v8=1
44.558908 .00000 -6.2150 3 3070.3370294 4150913037314 2 72a4 2 CH3CN, v8=1
44.558908 .00000 -6.2150 3 3070.3370294 41509130373a4 2 7214 2 CH3CN, v8=1
44.565849 .00000 -5.9166 3 2928.3972294 4150913037313 2 7213 2 CH3CN, v8=1
44.580100 .00000 -5.9612 3 2947.6650294 4150913037315 3 7215 3 CH3CN, v8=1
44.585611 .00000 -5.6401 3 2796.8426294 4150913037312 2 7212 2 CH3CN, v8=1
44.602312 .00000 -5.6813 3 2814.7228294 4150913037314 3 7214 3 CH3CN, v8=1
44.605216 .00000 -5.3838 3 2674.9109294 4150913037311 2 72a1 2 CH3CN, v8=1
44.605216 .00000 -5.3838 3 2674.9109294 41509130373a1 2 7211 2 CH3CN, v8=1
44.623065 .00000 -5.4219 3 2691.4595294 4150913037313 3 72a3 3 CH3CN, v8=1
44.623065 .00000 -5.4219 3 2691.4595294 41509130373a3 3 7213 3 CH3CN, v8=1
44.623241 .00000 -5.1480 3 2562.6774294 4150913037310 2 7210 2 CH3CN, v8=1
44.639574 .00000 -4.9352 3 2460.1728294 41509130373 9 2 72 9 2 CH3CN, v8=1
44.642319 .00000 -5.1830 3 2577.9046294 4150913037312 3 7212 3 CH3CN, v8=1
44.654152 .00000 -4.7377 3 2367.4207294 41509130373-8 2 72 8 2 CH3CN, v8=1
44.654152 .00000 -4.7377 3 2367.4207294 41509130373 8 2 72-8 2 CH3CN, v8=1
44.660097 .00000 -4.9645 3 2474.0835294 4150913037311 3 7211 3 CH3CN, v8=1
44.666909 .00000 -4.5635 3 2284.4413294 41509130373 7 2 72 7 2 CH3CN, v8=1
44.676431 .00000 -4.7665 3 2380.0196294 4150913037310 3 72a0 3 CH3CN, v8=1
44.676431 .00000 -4.7665 3 2380.0196294 41509130373a0 3 7210 3 CH3CN, v8=1
44.677758 .00000 -4.4098 3 2211.2518294 41509130373 6 2 72 6 2 CH3CN, v8=1
44.686577 .00000 -4.2767 3 2147.8659294 41509130373-5 2 72 5 2 CH3CN, v8=1
44.686577 .00000 -4.2767 3 2147.8659294 41509130373 5 2 72-5 2 CH3CN, v8=1
44.689672 .00000 -3.9108 3 1973.2272294 41509130373 1 3 72-1 3 CH3CN, v8=1
44.691369 .00000 -4.5893 3 2295.7350294 41509130373 9 3 72 9 3 CH3CN, v8=1
44.692332 .00000 -3.9208 3 1978.0154294 41509130373 0 2 72 0 2 CH3CN, v8=1
44.693183 .00000 -4.1643 3 2094.2934294 41509130373 4 2 72 4 2 CH3CN, v8=1
44.696634 .00000 -3.9510 3 1992.4394294 41509130373 1 2 72 1 2 CH3CN, v8=1
44.697301 .00000 -4.0724 3 2050.5381294 41509130373 3 2 72 3 2 CH3CN, v8=1
44.698554 .00000 -4.0014 3 2016.5946294 41509130373-2 2 72 2 2 CH3CN, v8=1
44.698555 .00000 -4.0014 3 2016.5946294 41509130373 2 2 72-2 2 CH3CN, v8=1
44.704985 .00000 -4.4323 3 2221.2500294 41509130373 8 3 72 8 3 CH3CN, v8=1
44.717390 .00000 -4.2961 3 2156.5841294 41509130373-7 3 72 7 3 CH3CN, v8=1
44.717390 .00000 -4.2961 3 2156.5841294 41509130373 7 3 72-7 3 CH3CN, v8=1
44.728758 .00000 -4.1806 3 2101.7561294 41509130373 6 3 72 6 3 CH3CN, v8=1
44.739355 .00000 -4.0860 3 2056.7866294 41509130373 5 3 72 5 3 CH3CN, v8=1
44.749553 .00000 -4.0118 3 2021.7012294 41509130373-4 3 72 4 3 CH3CN, v8=1
44.749553 .00000 -4.0118 3 2021.7012294 41509130373 4 3 72-4 3 CH3CN, v8=1
44.759657 .00000 -3.9586 3 1996.5389294 41509130373 3 3 72 3 3 CH3CN, v8=1
44.768870 .00000 -3.9265 3 1981.3678294 41509130373 2 3 72 2 3 CH3CN, v8=1
44.773167 .00000 -3.9157 3 1976.2903294 41509130373-1 3 72 1 3 CH3CN, v8=1
45.120577 .00000 -6.6077 3 3265.3417298 4150913037415 2 7315 2 CH3CN, v8=1
45.135854 .00000 -6.6566 3 3287.0167298 4150913037417 3 7317 3 CH3CN, v8=1
45.161469 .00000 -6.3364 3 3134.8225298 4150913037416 3 73a6 3 CH3CN, v8=1
45.161469 .00000 -6.3364 3 3134.8225298 41509130374a6 3 7316 3 CH3CN, v8=1
45.165123 .00000 -6.2903 3 3114.8959298 4150913037414 2 73a4 2 CH3CN, v8=1
45.165123 .00000 -6.2903 3 3114.8959298 41509130374a4 2 7314 2 CH3CN, v8=1
45.170658 .00000 -5.9921 3 2972.9631298 4150913037413 2 7313 2 CH3CN, v8=1
45.185529 .00000 -6.0365 3 2992.2451298 4150913037415 3 7315 3 CH3CN, v8=1
45.190753 .00000 -5.7156 3 2841.4282298 4150913037412 2 7312 2 CH3CN, v8=1
45.208027 .00000 -5.7568 3 2859.3252298 4150913037414 3 7314 3 CH3CN, v8=1
45.210582 .00000 -5.4595 3 2719.5161298 4150913037411 2 73a1 2 CH3CN, v8=1
45.210582 .00000 -5.4595 3 2719.5161298 41509130374a1 2 7311 2 CH3CN, v8=1
45.228808 .00000 -5.2237 3 2607.3007298 4150913037410 2 7310 2 CH3CN, v8=1
45.229046 .00000 -5.4975 3 2736.0826298 4150913037413 3 73a3 3 CH3CN, v8=1
45.229046 .00000 -5.4975 3 2736.0826298 41509130374a3 3 7313 3 CH3CN, v8=1
45.245319 .00000 -5.0084 3 2504.8123298 41509130374 9 2 73 9 2 CH3CN, v8=1
45.248550 .00000 -5.2586 3 2622.5470298 4150913037412 3 7312 3 CH3CN, v8=1
45.260050 .00000 -4.8136 3 2412.0748298 41509130374-8 2 73 8 2 CH3CN, v8=1
45.260050 .00000 -4.8136 3 2412.0748298 41509130374 8 2 73-8 2 CH3CN, v8=1
45.266563 .00000 -5.0403 3 2518.7436298 4150913037411 3 7311 3 CH3CN, v8=1
45.272935 .00000 -4.6394 3 2329.1082298 41509130374 7 2 73 7 2 CH3CN, v8=1
45.283117 .00000 -4.8423 3 2424.6961298 4150913037410 3 73a0 3 CH3CN, v8=1
45.283117 .00000 -4.8423 3 2424.6961298 41509130374a0 3 7310 3 CH3CN, v8=1
45.283884 .00000 -4.4857 3 2255.9296298 41509130374 6 2 73 6 2 CH3CN, v8=1
45.292773 .00000 -4.3528 3 2192.5525298 41509130374-5 2 73 5 2 CH3CN, v8=1
45.292773 .00000 -4.3528 3 2192.5525298 41509130374 5 2 73-5 2 CH3CN, v8=1
45.296235 .00000 -3.9869 3 2017.9169298 41509130374-1 3 73 1 3 CH3CN, v8=1
45.298263 .00000 -4.6651 3 2340.4264298 41509130374 9 3 73 9 3 CH3CN, v8=1
45.298768 .00000 -3.9969 3 2022.7077298 41509130374 0 2 73 0 2 CH3CN, v8=1
45.299420 .00000 -4.2403 3 2138.9865298 41509130374 4 2 73 4 2 CH3CN, v8=1
45.302926 .00000 -4.0270 3 2037.1360298 41509130374 1 2 73 1 2 CH3CN, v8=1
45.303553 .00000 -4.1486 3 2095.2354298 41509130374 3 2 73 3 2 CH3CN, v8=1
45.304809 .00000 -4.0774 3 2061.2931298 41509130374 2 2 73-2 2 CH3CN, v8=1
45.304809 .00000 -4.0774 3 2061.2931298 41509130374-2 2 73 2 2 CH3CN, v8=1
45.312075 .00000 -4.5082 3 2265.9550298 41509130374 8 3 73 8 3 CH3CN, v8=1
45.324665 .00000 -4.3722 3 2201.3015298 41509130374-7 3 73 7 3 CH3CN, v8=1
45.324665 .00000 -4.3722 3 2201.3015298 41509130374 7 3 73-7 3 CH3CN, v8=1
45.336210 .00000 -4.2567 3 2146.4849298 41509130374 6 3 73 6 3 CH3CN, v8=1
45.346970 .00000 -4.1620 3 2101.5260298 41509130374 5 3 73 5 3 CH3CN, v8=1
45.357305 .00000 -4.0880 3 2066.4508298 41509130374 4 3 73-4 3 CH3CN, v8=1
45.357305 .00000 -4.0880 3 2066.4508298 41509130374-4 3 73 4 3 CH3CN, v8=1
45.367469 .00000 -4.0348 3 2041.2985298 41509130374 3 3 73 3 3 CH3CN, v8=1
45.376598 .00000 -4.0028 3 2026.1367298 41509130374 2 3 73 2 3 CH3CN, v8=1
45.380788 .00000 -3.9919 3 2021.0634298 41509130374 1 3 73-1 3 CH3CN, v8=1
45.724973 .00000 -6.6965 3 3310.4623302 4150913037515 2 7415 2 CH3CN, v8=1
45.740458 .00000 -6.7332 3 3332.1526302 4150913037517 3 7417 3 CH3CN, v8=1
45.766389 .00000 -6.4131 3 3179.9840302 4150913037516 3 74a6 3 CH3CN, v8=1
45.766389 .00000 -6.4131 3 3179.9840302 41509130375a6 3 7416 3 CH3CN, v8=1
45.771308 .00000 -6.3672 3 3160.0610302 4150913037514 2 74a4 2 CH3CN, v8=1
45.771308 .00000 -6.3672 3 3160.0610302 41509130375a4 2 7414 2 CH3CN, v8=1
45.775259 -.00001 -6.0690 3 3018.1337302 -4150913037513 2 7413 2 CH3CN, v8=1
45.790742 .00000 -6.1133 3 3037.4306302 4150913037515 3 7415 3 CH3CN, v8=1
45.795671 -.00001 -5.7927 3 2886.6190302 -4150913037512 2 7412 2 CH3CN, v8=1
45.813525 .00000 -5.8337 3 2904.5332302 -4150913037514 3 7414 3 CH3CN, v8=1
45.815717 .00000 -5.5378 3 2764.7267302 -4150913037511 2 74a1 2 CH3CN, v8=1
45.815717 .00000 -5.5378 3 2764.7267302 -41509130375a1 2 7411 2 CH3CN, v8=1
45.834142 .00000 -5.3009 3 2652.5295302 -4150913037510 2 7410 2 CH3CN, v8=1
45.834810 .00000 -5.5745 3 2781.3116302 -4150913037513 3 74a3 3 CH3CN, v8=1
45.834810 .00000 -5.5745 3 2781.3116302 -41509130375a3 3 7413 3 CH3CN, v8=1
45.850831 .00000 -5.0857 3 2550.0577302 -41509130375 9 2 74 9 2 CH3CN, v8=1
45.854565 .00000 -5.3358 3 2667.7955302 -4150913037512 3 7412 3 CH3CN, v8=1
45.865713 .00000 -4.8910 3 2457.3349302 -41509130375-8 2 74 8 2 CH3CN, v8=1
45.865713 .00000 -4.8910 3 2457.3349302 -41509130375 8 2 74-8 2 CH3CN, v8=1
45.872809 .00000 -5.1177 3 2564.0101302 -4150913037511 3 7411 3 CH3CN, v8=1
45.878724 .00000 -4.7168 3 2374.3812302 -41509130375 7 2 74 7 2 CH3CN, v8=1
45.889584 .00000 -4.9196 3 2469.9792302 4150913037510 3 74a0 3 CH3CN, v8=1
45.889584 .00000 -4.9196 3 2469.9792302 41509130375a0 3 7410 3 CH3CN, v8=1
45.889772 .00000 -4.5632 3 2301.2135302 41509130375 6 2 74 6 2 CH3CN, v8=1
45.898732 .00000 -4.4302 3 2237.8453302 -41509130375-5 2 74 5 2 CH3CN, v8=1
45.898732 .00000 -4.4302 3 2237.8453302 -41509130375 5 2 74-5 2 CH3CN, v8=1
45.902567 .00000 -4.0645 3 2063.2131302 -41509130375 1 3 74-1 3 CH3CN, v8=1
45.904937 .00000 -4.7425 3 2385.7247302 41509130375 9 3 74 9 3 CH3CN, v8=1
45.904978 .00000 -4.0745 3 2068.0065302 41509130375 0 2 74 0 2 CH3CN, v8=1
45.905420 .00000 -4.3179 3 2184.2860302 -41509130375 4 2 74 4 2 CH3CN, v8=1
45.908991 .00000 -4.1046 3 2082.4389302 -41509130375 1 2 74 1 2 CH3CN, v8=1
45.909568 .00000 -4.2262 3 2140.5389302 -41509130375 3 2 74 3 2 CH3CN, v8=1
45.910830 .00000 -4.1550 3 2106.5979302 -41509130375-2 2 74 2 2 CH3CN, v8=1
45.910830 .00000 -4.1550 3 2106.5979302 -41509130375 2 2 74-2 2 CH3CN, v8=1
45.918944 .00000 -4.5857 3 2311.2671302 -41509130375 8 3 74 8 3 CH3CN, v8=1
45.931720 .00000 -4.4496 3 2246.6261302 -41509130375-7 3 74 7 3 CH3CN, v8=1
45.931720 .00000 -4.4496 3 2246.6261302 -41509130375 7 3 74-7 3 CH3CN, v8=1
45.943439 .00000 -4.3343 3 2191.8211302 -41509130375 6 3 74 6 3 CH3CN, v8=1
45.954362 .00000 -4.2396 3 2146.8730302 -41509130375 5 3 74 5 3 CH3CN, v8=1
45.964827 .00000 -4.1656 3 2111.8081302 -41509130375-4 3 74 4 3 CH3CN, v8=1
45.964827 .00000 -4.1656 3 2111.8081302 -41509130375 4 3 74-4 3 CH3CN, v8=1
45.975046 .00000 -4.1126 3 2086.6660302 -41509130375 3 3 74 3 3 CH3CN, v8=1
45.984089 .00000 -4.0805 3 2071.5133302 -41509130375 2 3 74 2 3 CH3CN, v8=1
45.988176 .00000 -4.0697 3 2066.4442302 -41509130375-1 3 74 1 3 CH3CN, v8=1
46.371091 .00000 -6.4913 3 3225.7504306 4150913037616 3 75a6 3 CH3CN, v8=1
46.371091 .00000 -6.4913 3 3225.7504306 41509130376a6 3 7516 3 CH3CN, v8=1
46.377490 .00000 -6.4456 3 3205.8324306 4150913037614 2 75a4 2 CH3CN, v8=1
46.377490 .00000 -6.4456 3 3205.8324306 41509130376a4 2 7514 2 CH3CN, v8=1
46.379635 .00000 -6.1474 3 3063.9090306 4150913037613 2 7513 2 CH3CN, v8=1
46.395736 .00000 -6.1916 3 3083.2213306 4150913037615 3 7515 3 CH3CN, v8=1
46.400347 .00000 -5.8712 3 2932.4147306 -4150913037612 2 7512 2 CH3CN, v8=1
46.418799 .00000 -5.9122 3 2950.3467306 -4150913037614 3 7514 3 CH3CN, v8=1
46.420619 .00000 -5.6171 3 2810.5424306 -4150913037611 2 75a1 2 CH3CN, v8=1
46.420619 .00000 -5.6171 3 2810.5424306 -41509130376a1 2 7511 2 CH3CN, v8=1
46.439243 .00000 -5.3797 3 2698.3636306 -4150913037610 2 7510 2 CH3CN, v8=1
46.440350 .00000 -5.6531 3 2827.1464306 -4150913037613 3 75a3 3 CH3CN, v8=1
46.440350 .00000 -5.6531 3 2827.1464306 -41509130376a3 3 7513 3 CH3CN, v8=1
46.456104 .00000 -5.1645 3 2595.9085306 -41509130376 9 2 75 9 2 CH3CN, v8=1
46.460355 .00000 -5.4144 3 2713.6501306 -4150913037612 3 7512 3 CH3CN, v8=1
46.471133 .00000 -4.9698 3 2503.2006306 -41509130376-8 2 75 8 2 CH3CN, v8=1
46.471133 .00000 -4.9698 3 2503.2006306 -41509130376 8 2 75-8 2 CH3CN, v8=1
46.478835 .00000 -5.1962 3 2609.8829306 -4150913037611 3 7511 3 CH3CN, v8=1
46.484274 .00000 -4.7957 3 2420.2599306 -41509130376 7 2 75 7 2 CH3CN, v8=1
46.495420 .00000 -4.6422 3 2347.1032306 -41509130376 6 2 75 6 2 CH3CN, v8=1
46.495828 .00000 -4.9984 3 2515.8688306 -4150913037610 3 75a0 3 CH3CN, v8=1
46.495828 .00000 -4.9984 3 2515.8688306 -41509130376a0 3 7510 3 CH3CN, v8=1
46.504449 .00000 -4.5093 3 2283.7440306 -41509130376-5 2 75 5 2 CH3CN, v8=1
46.504449 .00000 -4.5093 3 2283.7440306 -41509130376 5 2 75-5 2 CH3CN, v8=1
46.508667 .00000 -4.1435 3 2109.1157306 -41509130376-1 3 75 1 3 CH3CN, v8=1
46.510959 .00000 -4.1535 3 2113.9115306 41509130376 0 2 75 0 2 CH3CN, v8=1
46.511178 .00000 -4.3969 3 2230.1914306 41509130376 4 2 75 4 2 CH3CN, v8=1
46.511388 .00000 -4.8215 3 2431.6296306 41509130376 9 3 75 9 3 CH3CN, v8=1
46.514827 .00000 -4.1836 3 2128.3479306 -41509130376 1 2 75 1 2 CH3CN, v8=1
46.515343 .00000 -4.3052 3 2186.4485306 -41509130376 3 2 75 3 2 CH3CN, v8=1
46.516616 .00000 -4.2341 3 2152.5088306 -41509130376 2 2 75-2 2 CH3CN, v8=1
46.516616 .00000 -4.2341 3 2152.5088306 -41509130376-2 2 75 2 2 CH3CN, v8=1
46.525590 .00000 -4.6647 3 2357.1861306 -41509130376 8 3 75 8 3 CH3CN, v8=1
46.538549 .00000 -4.5287 3 2292.5578306 -41509130376-7 3 75 7 3 CH3CN, v8=1
46.538549 .00000 -4.5287 3 2292.5578306 -41509130376 7 3 75-7 3 CH3CN, v8=1
46.550443 .00000 -4.4134 3 2237.7645306 -41509130376 6 3 75 6 3 CH3CN, v8=1
46.561525 .00000 -4.3187 3 2192.8273306 -41509130376 5 3 75 5 3 CH3CN, v8=1
46.572117 .00000 -4.2448 3 2157.7729306 -41509130376 4 3 75-4 3 CH3CN, v8=1
46.572117 .00000 -4.2448 3 2157.7729306 -41509130376-4 3 75 4 3 CH3CN, v8=1
46.582384 .00000 -4.1918 3 2132.6410306 -41509130376 3 3 75 3 3 CH3CN, v8=1
46.591339 .00000 -4.1597 3 2117.4974306 -41509130376 2 3 75 2 3 CH3CN, v8=1
46.595328 .00000 -4.1489 3 2112.4324306 -41509130376 1 3 75-1 3 CH3CN, v8=1
46.975572 .00000 -6.5711 3 3272.1215310 4150913037716 3 76a6 3 CH3CN, v8=1
46.975572 .00000 -6.5711 3 3272.1215310 41509130377a6 3 7616 3 CH3CN, v8=1
46.983700 .00000 -6.5255 3 3252.2098310 4150913037714 2 76a4 2 CH3CN, v8=1
46.983700 .00000 -6.5255 3 3252.2098310 41509130377a4 2 7614 2 CH3CN, v8=1
46.983790 .00000 -6.2274 3 3110.2886310 4150913037713 2 7613 2 CH3CN, v8=1
47.000509 .00000 -6.2715 3 3129.6171310 4150913037715 3 7615 3 CH3CN, v8=1
47.004795 .00000 -5.9513 3 2978.8150310 4150913037712 2 7612 2 CH3CN, v8=1
47.023858 .00000 -5.9922 3 2996.7655310 4150913037714 3 7614 3 CH3CN, v8=1
47.025285 .00000 -5.6954 3 2856.9630310 4150913037711 2 76a1 2 CH3CN, v8=1
47.025285 .00000 -5.6954 3 2856.9630310 41509130377a1 2 7611 2 CH3CN, v8=1
47.044105 .00000 -5.4599 3 2744.8029310 4150913037710 2 7610 2 CH3CN, v8=1
47.045669 .00000 -5.7332 3 2873.5868310 4150913037713 3 76a3 3 CH3CN, v8=1
47.045669 .00000 -5.7332 3 2873.5868310 41509130377a3 3 7613 3 CH3CN, v8=1
47.061140 .00000 -5.2448 3 2642.3646310 41509130377 9 2 76 9 2 CH3CN, v8=1
47.065920 .00000 -5.4946 3 2760.1104310 4150913037712 3 7612 3 CH3CN, v8=1
47.076322 .00000 -5.0502 3 2549.6717310 41509130377-8 2 76 8 2 CH3CN, v8=1
47.076322 .00000 -5.0502 3 2549.6717310 41509130377 8 2 76-8 2 CH3CN, v8=1
47.084634 .00000 -5.2765 3 2656.3618310 4150913037711 3 7611 3 CH3CN, v8=1
47.089581 .00000 -4.8762 3 2466.7442310 41509130377 7 2 76 7 2 CH3CN, v8=1
47.100824 .00000 -4.7227 3 2393.5987310 41509130377 6 2 76 6 2 CH3CN, v8=1
47.101847 .00000 -5.0788 3 2562.3646310 4150913037710 3 76a0 3 CH3CN, v8=1
47.101847 .00000 -5.0788 3 2562.3646310 41509130377a0 3 7610 3 CH3CN, v8=1
47.109922 .00000 -4.5897 3 2330.2485310 41509130377-5 2 76 5 2 CH3CN, v8=1
47.109922 .00000 -4.5897 3 2330.2485310 41509130377 5 2 76-5 2 CH3CN, v8=1
47.114531 .00000 -4.2241 3 2155.6243310 41509130377 1 3 76-1 3 CH3CN, v8=1
47.116692 .00000 -4.4775 3 2276.7026310 41509130377 4 2 76 4 2 CH3CN, v8=1
47.116709 .00000 -4.2341 3 2160.4224310 41509130377 0 2 76 0 2 CH3CN, v8=1
47.117613 .00000 -4.9017 3 2478.1410310 41509130377 9 3 76 9 3 CH3CN, v8=1
47.120431 .00000 -4.2648 3 2174.8627310 41509130377 1 2 76 1 2 CH3CN, v8=1
47.120876 .00000 -4.3859 3 2232.9639310 41509130377 3 2 76 3 2 CH3CN, v8=1
47.122163 .00000 -4.3147 3 2199.0254310 41509130377-2 2 76 2 2 CH3CN, v8=1
47.122163 .00000 -4.3147 3 2199.0254310 41509130377 2 2 76-2 2 CH3CN, v8=1
47.132009 .00000 -4.7451 3 2403.7116310 41509130377 8 3 76 8 3 CH3CN, v8=1
47.145153 .00000 -4.6092 3 2339.0964310 41509130377-7 3 76 7 3 CH3CN, v8=1
47.145153 .00000 -4.6092 3 2339.0964310 41509130377 7 3 76-7 3 CH3CN, v8=1
47.157218 .00000 -4.4939 3 2284.3150310 41509130377 6 3 76 6 3 CH3CN, v8=1
47.168456 .00000 -4.3993 3 2239.3889310 41509130377 5 3 76 5 3 CH3CN, v8=1
47.179170 .00000 -4.3255 3 2204.3450310 41509130377-4 3 76 4 3 CH3CN, v8=1
47.179170 .00000 -4.3255 3 2204.3450310 41509130377 4 3 76-4 3 CH3CN, v8=1
47.189479 .00000 -4.2724 3 2179.2234310 41509130377 3 3 76 3 3 CH3CN, v8=1
47.198347 .00000 -4.2404 3 2164.0887310 41509130377 2 3 76 2 3 CH3CN, v8=1
47.202241 .00000 -4.2297 3 2159.0277310 41509130377-1 3 76 1 3 CH3CN, v8=1
47.579828 .00000 -6.6523 3 3319.0970314 4150913037816 3 77a6 3 CH3CN, v8=1
47.579828 .00000 -6.6523 3 3319.0970314 41509130378a6 3 7716 3 CH3CN, v8=1
47.587716 .00000 -6.3088 3 3157.2724314 4150913037813 2 7713 2 CH3CN, v8=1
47.589978 .00000 -6.6069 3 3299.1935314 4150913037814 2 77a4 2 CH3CN, v8=1
47.589978 .00000 -6.6069 3 3299.1935314 41509130378a4 2 7714 2 CH3CN, v8=1
47.605056 .00000 -6.3529 3 3176.6176314 4150913037815 3 7715 3 CH3CN, v8=1
47.609003 .00000 -6.0328 3 3025.8198314 4150913037812 2 7712 2 CH3CN, v8=1
47.628685 -.00001 -6.0736 3 3043.7894314 -4150913037814 3 7714 3 CH3CN, v8=1
47.629711 .00000 -5.7785 3 2903.9883314 -4150913037811 2 77a1 2 CH3CN, v8=1
47.629711 .00000 -5.7785 3 2903.9883314 -41509130378a1 2 7711 2 CH3CN, v8=1
47.648730 .00000 -5.5416 3 2791.8470314 -4150913037810 2 7710 2 CH3CN, v8=1
47.650761 .00000 -5.8147 3 2920.6325314 -4150913037813 3 77a3 3 CH3CN, v8=1
47.650761 .00000 -5.8147 3 2920.6325314 -41509130378a3 3 7713 3 CH3CN, v8=1
47.665932 .00000 -5.3266 3 2689.4257314 -41509130378 9 2 77 9 2 CH3CN, v8=1
47.671260 .00000 -5.5762 3 2807.1763314 -4150913037812 3 7712 3 CH3CN, v8=1
47.681261 .00000 -5.1320 3 2596.7480314 -41509130378-8 2 77 8 2 CH3CN, v8=1
47.681261 .00000 -5.1320 3 2596.7480314 -41509130378 8 2 77-8 2 CH3CN, v8=1
47.690200 .00000 -5.3750 3 2703.4464314 -4150913037811 3 7711 3 CH3CN, v8=1
47.694643 .00000 -4.9581 3 2513.8338314 -41509130378 7 2 77 7 2 CH3CN, v8=1
47.705981 .00000 -4.8046 3 2440.6995314 -41509130378 6 2 77 6 2 CH3CN, v8=1
47.707635 .00000 -5.1606 3 2609.4664314 -4150913037810 3 77a0 3 CH3CN, v8=1
47.707635 .00000 -5.1606 3 2609.4664314 -41509130378a0 3 7710 3 CH3CN, v8=1
47.715149 .00000 -4.6717 3 2377.3584314 -41509130378-5 2 77 5 2 CH3CN, v8=1
47.715149 .00000 -4.6717 3 2377.3584314 -41509130378 5 2 77-5 2 CH3CN, v8=1
47.720156 .00000 -4.3061 3 2202.7389314 -41509130378-1 3 77 1 3 CH3CN, v8=1
47.721960 .00000 -4.5595 3 2323.8193314 -41509130378 4 2 77 4 2 CH3CN, v8=1
47.722225 .00000 -4.3162 3 2207.5391314 -41509130378 0 2 77 0 2 CH3CN, v8=1
47.723607 .00000 -4.9845 3 2525.2586314 -41509130378 9 3 77 9 3 CH3CN, v8=1
47.725798 .00000 -4.3470 3 2221.9832314 -41509130378 1 2 77 1 2 CH3CN, v8=1
47.726166 .00000 -4.4680 3 2280.0847314 -41509130378 3 2 77 3 2 CH3CN, v8=1
47.727470 .00000 -4.3968 3 2246.1475314 -41509130378 2 2 77-2 2 CH3CN, v8=1
47.727470 .00000 -4.3968 3 2246.1475314 -41509130378-2 2 77 2 2 CH3CN, v8=1
47.738198 .00000 -4.8271 3 2450.8437314 -41509130378 8 3 77 8 3 CH3CN, v8=1
47.751523 .00000 -4.6912 3 2386.2415314 -41509130378-7 3 77 7 3 CH3CN, v8=1
47.751523 .00000 -4.6912 3 2386.2415314 -41509130378 7 3 77-7 3 CH3CN, v8=1
47.763761 .00000 -4.5760 3 2331.4722314 -41509130378 6 3 77 6 3 CH3CN, v8=1
47.775152 .00000 -4.4814 3 2286.5573314 41509130378 5 3 77 5 3 CH3CN, v8=1
47.785985 .00000 -4.4076 3 2251.5242314 -41509130378 4 3 77-4 3 CH3CN, v8=1
47.785985 .00000 -4.4076 3 2251.5242314 -41509130378-4 3 77 4 3 CH3CN, v8=1
47.796329 .00000 -4.3546 3 2226.4129314 -41509130378 3 3 77 3 3 CH3CN, v8=1
47.805107 .00000 -4.3226 3 2211.2871314 -41509130378 2 3 77 2 3 CH3CN, v8=1
47.808911 .00000 -4.3119 3 2206.2300314 -41509130378 1 3 77-1 3 CH3CN, v8=1
48.183858 .00000 -6.7351 3 3366.6769318 4150913037916 3 78a6 3 CH3CN, v8=1
48.183858 .00000 -6.7351 3 3366.6769318 41509130379a6 3 7816 3 CH3CN, v8=1
48.191409 .00000 -6.3917 3 3204.8601318 4150913037913 2 7813 2 CH3CN, v8=1
48.196367 .00000 -6.6898 3 3346.7835318 4150913037914 2 78a4 2 CH3CN, v8=1
48.196367 .00000 -6.6898 3 3346.7835318 41509130379a4 2 7814 2 CH3CN, v8=1
48.209376 .00000 -6.4357 3 3224.2226318 4150913037915 3 7815 3 CH3CN, v8=1
48.212969 .00000 -6.1158 3 3073.4288318 4150913037912 2 7812 2 CH3CN, v8=1
48.233285 .00000 -6.1566 3 3091.4180318 4150913037914 3 7814 3 CH3CN, v8=1
48.233893 .00000 -5.8624 3 2951.6180318 4150913037911 2 78a1 2 CH3CN, v8=1
48.233893 .00000 -5.8624 3 2951.6180318 41509130379a1 2 7811 2 CH3CN, v8=1
48.253101 .00000 -5.6248 3 2839.4957318 4150913037910 2 7810 2 CH3CN, v8=1
48.255621 .00000 -5.8978 3 2968.2832318 4150913037913 3 78a3 3 CH3CN, v8=1
48.255621 .00000 -5.8978 3 2968.2832318 41509130379a3 3 7813 3 CH3CN, v8=1
48.270478 .00000 -5.4099 3 2737.0917318 41509130379 9 2 78 9 2 CH3CN, v8=1
48.276365 .00000 -5.6594 3 2854.8476318 4150913037912 3 7812 3 CH3CN, v8=1
48.285954 .00000 -5.2154 3 2644.4293318 41509130379-8 2 78 8 2 CH3CN, v8=1
48.285954 .00000 -5.2154 3 2644.4293318 41509130379 8 2 78-8 2 CH3CN, v8=1
48.295543 .00000 -5.4414 3 2751.1366318 4150913037911 3 7811 3 CH3CN, v8=1
48.299457 .00000 -5.0414 3 2561.5284318 41509130379 7 2 78 7 2 CH3CN, v8=1
48.310891 .00000 -4.8880 3 2488.4055318 41509130379 6 2 78 6 2 CH3CN, v8=1
48.313193 .00000 -5.2439 3 2657.1741318 4150913037910 3 78a0 3 CH3CN, v8=1
48.313193 .00000 -5.2439 3 2657.1741318 41509130379a0 3 7810 3 CH3CN, v8=1
48.320125 .00000 -4.7552 3 2425.0735318 41509130379-5 2 78 5 2 CH3CN, v8=1
48.320125 .00000 -4.7552 3 2425.0735318 41509130379 5 2 78-5 2 CH3CN, v8=1
48.325539 .00000 -4.3896 3 2250.4590318 41509130379 1 3 78-1 3 CH3CN, v8=1
48.326980 .00000 -4.6430 3 2371.5412318 41509130379 4 2 78 4 2 CH3CN, v8=1
48.327501 .00000 -4.3997 3 2255.2614318 41509130379 0 2 78 0 2 CH3CN, v8=1
48.329370 .00000 -5.0675 3 2572.9822318 41509130379 9 3 78 9 3 CH3CN, v8=1
48.330927 .00000 -4.4304 3 2269.7090318 41509130379 1 2 78 1 2 CH3CN, v8=1
48.331206 .00000 -4.5514 3 2327.8109318 41509130379 3 2 78 3 2 CH3CN, v8=1
48.332533 .00000 -4.4803 3 2293.8750318 41509130379-2 2 78 2 2 CH3CN, v8=1
48.332534 .00000 -4.4803 3 2293.8750318 41509130379 2 2 78-2 2 CH3CN, v8=1
48.344153 .00000 -4.9105 3 2498.5819318 41509130379 8 3 78 8 3 CH3CN, v8=1
48.357661 .00000 -4.7747 3 2433.9931318 41509130379-7 3 78 7 3 CH3CN, v8=1
48.357661 .00000 -4.7747 3 2433.9931318 41509130379 7 3 78-7 3 CH3CN, v8=1
48.370068 .00000 -4.6595 3 2379.2359318 41509130379 6 3 78 6 3 CH3CN, v8=1
48.381610 .00000 -4.5651 3 2334.3325318 41509130379 5 3 78 5 3 CH3CN, v8=1
48.392555 .00000 -4.4912 3 2299.3102318 41509130379-4 3 78 4 3 CH3CN, v8=1
48.392555 .00000 -4.4912 3 2299.3102318 41509130379 4 3 78-4 3 CH3CN, v8=1
48.402930 .00000 -4.4383 3 2274.2092318 41509130379 3 3 78 3 3 CH3CN, v8=1
48.411618 .00000 -4.4063 3 2259.0922318 41509130379 2 3 78 2 3 CH3CN, v8=1
48.415336 .00000 -4.3956 3 2254.0389318 41509130379-1 3 78 1 3 CH3CN, v8=1
48.787657 .00000 -6.8193 3 3414.8607322 4150913038016 3 79a6 3 CH3CN, v8=1
48.787657 .00000 -6.8193 3 3414.8607322 41509130380a6 3 7916 3 CH3CN, v8=1
48.794863 .00000 -6.4762 3 3253.0515322 4150913038013 2 7913 2 CH3CN, v8=1
48.802921 .00000 -6.7742 3 3394.9799322 4150913038014 2 79a4 2 CH3CN, v8=1
48.802921 .00000 -6.7742 3 3394.9799322 41509130380a4 2 7914 2 CH3CN, v8=1
48.813464 .00000 -6.5200 3 3272.4320322 4150913038015 3 7915 3 CH3CN, v8=1
48.816692 .00000 -6.2003 3 3121.6418322 4150913038012 2 7912 2 CH3CN, v8=1
48.837651 .00000 -6.2410 3 3139.6513322 4150913038014 3 7914 3 CH3CN, v8=1
48.837829 .00000 -5.9447 3 2999.8519322 4150913038011 2 79a1 2 CH3CN, v8=1
48.837829 .00000 -5.9447 3 2999.8519322 41509130380a1 2 7911 2 CH3CN, v8=1
48.857229 .00000 -5.7094 3 2887.7488322 4150913038010 2 7910 2 CH3CN, v8=1
48.860248 .00000 -5.9823 3 3016.5388322 4150913038013 3 79a3 3 CH3CN, v8=1
48.860248 .00000 -5.9823 3 3016.5388322 41509130380a3 3 7913 3 CH3CN, v8=1
48.874775 .00000 -5.4946 3 2785.3621322 41509130380 9 2 79 9 2 CH3CN, v8=1
48.881238 .00000 -5.7440 3 2903.1240322 4150913038012 3 7912 3 CH3CN, v8=1
48.890397 .00000 -5.3002 3 2692.7153322 41509130380-8 2 79 8 2 CH3CN, v8=1
48.890397 .00000 -5.3002 3 2692.7153322 41509130380 8 2 79-8 2 CH3CN, v8=1
48.900647 .00000 -5.5261 3 2799.4321322 4150913038011 3 7911 3 CH3CN, v8=1
48.904019 .00000 -5.1263 3 2609.8279322 41509130380 7 2 79 7 2 CH3CN, v8=1
48.915547 .00000 -4.9729 3 2536.7164322 41509130380 6 2 79 6 2 CH3CN, v8=1
48.918514 .00000 -5.3287 3 2705.4873322 4150913038010 3 79a0 3 CH3CN, v8=1
48.918514 .00000 -5.3287 3 2705.4873322 41509130380a0 3 7910 3 CH3CN, v8=1
48.924850 .00000 -4.8402 3 2473.3937322 41509130380-5 2 79 5 2 CH3CN, v8=1
48.924850 .00000 -4.8402 3 2473.3937322 41509130380 5 2 79-5 2 CH3CN, v8=1
48.930676 .00000 -4.4746 3 2298.7846322 41509130380-1 3 79 1 3 CH3CN, v8=1
48.931746 .00000 -4.7280 3 2419.8682322 41509130380 4 2 79 4 2 CH3CN, v8=1
48.932537 .00000 -4.4847 3 2303.5889322 41509130380 0 2 79 0 2 CH3CN, v8=1
48.934895 .00000 -5.1518 3 2621.3116322 41509130380 9 3 79 9 3 CH3CN, v8=1
48.935815 .00000 -4.5156 3 2318.0399322 41509130380 1 2 79 1 2 CH3CN, v8=1
48.935998 .00000 -4.6364 3 2376.1421322 41509130380 3 2 79 3 2 CH3CN, v8=1
48.937351 .00000 -4.5653 3 2342.2075322 41509130380 2 2 79-2 2 CH3CN, v8=1
48.937351 .00000 -4.5653 3 2342.2076322 41509130380-2 2 79 2 2 CH3CN, v8=1
48.949871 .00000 -4.9954 3 2546.9260322 41509130380 8 3 79 8 3 CH3CN, v8=1
48.963561 .00000 -4.8597 3 2482.3507322 41509130380-7 3 79 7 3 CH3CN, v8=1
48.963561 .00000 -4.8597 3 2482.3507322 41509130380 7 3 79-7 3 CH3CN, v8=1
48.976135 .00000 -4.7445 3 2427.6060322 41509130380 6 3 79 6 3 CH3CN, v8=1
48.987825 .00000 -4.6501 3 2382.7141322 41509130380 5 3 79 5 3 CH3CN, v8=1
48.998878 .00000 -4.5763 3 2347.7027322 41509130380 4 3 79-4 3 CH3CN, v8=1
48.998878 .00000 -4.5763 3 2347.7027322 41509130380-4 3 79 4 3 CH3CN, v8=1
49.009278 .00000 -4.5234 3 2322.6121322 41509130380 3 3 79 3 3 CH3CN, v8=1
49.017877 .00000 -4.4915 3 2307.5038322 41509130380 2 3 79 2 3 CH3CN, v8=1
49.021512 .00000 -4.4808 3 2302.4542322 41509130380 1 3 79-1 3 CH3CN, v8=1
49.391222 .00000 -6.9050 3 3463.6484326 4150913038116 3 80a6 3 CH3CN, v8=1
49.391222 .00000 -6.9050 3 3463.6484326 41509130381a6 3 8016 3 CH3CN, v8=1
49.398076 .00000 -6.5621 3 3301.8464326 4150913038113 2 8013 2 CH3CN, v8=1
49.409699 -.00001 -6.8601 3 3443.7828326 4150913038114 2 80a4 2 CH3CN, v8=1
49.409699 -.00001 -6.8601 3 3443.7828326 41509130381a4 2 8014 2 CH3CN, v8=1
49.417318 .00000 -6.6064 3 3321.2455326 4150913038115 3 8015 3 CH3CN, v8=1
49.420166 .00000 -6.2863 3 3170.4585326 4150913038112 2 8012 2 CH3CN, v8=1
49.441517 .00000 -6.0310 3 3048.6898326 4150913038111 2 80a1 2 CH3CN, v8=1
49.441517 .00000 -6.0310 3 3048.6898326 41509130381a1 2 8011 2 CH3CN, v8=1
49.441782 .00000 -6.3269 3 3188.4890326 4150913038114 3 8014 3 CH3CN, v8=1
49.461107 .00000 -5.7956 3 2936.6060326 4150913038110 2 8010 2 CH3CN, v8=1
49.464639 .00000 -6.0692 3 3065.3991326 4150913038113 3 80a3 3 CH3CN, v8=1
49.464639 .00000 -6.0692 3 3065.3991326 41509130381a3 3 8013 3 CH3CN, v8=1
49.478820 .00000 -5.5822 3 2834.2369326 41509130381 9 2 80 9 2 CH3CN, v8=1
49.485874 .00000 -5.8301 3 2952.0052326 4150913038112 3 8012 3 CH3CN, v8=1
49.494586 .00000 -5.3864 3 2741.6057326 41509130381-8 2 80 8 2 CH3CN, v8=1
49.494586 .00000 -5.3864 3 2741.6057326 41509130381 8 2 80-8 2 CH3CN, v8=1
49.505513 .00000 -5.6123 3 2848.3328326 4150913038111 3 8011 3 CH3CN, v8=1
49.508327 .00000 -5.2126 3 2658.7319326 41509130381 7 2 80 7 2 CH3CN, v8=1
49.519948 .00000 -5.0593 3 2585.6319326 41509130381 6 2 80 6 2 CH3CN, v8=1
49.523597 .00000 -5.4149 3 2754.4058326 4150913038110 3 80a0 3 CH3CN, v8=1
49.523597 .00000 -5.4149 3 2754.4058326 41509130381a0 3 8010 3 CH3CN, v8=1
49.529318 .00000 -4.9266 3 2522.3185326 41509130381-5 2 80 5 2 CH3CN, v8=1
49.529318 .00000 -4.9266 3 2522.3185326 41509130381 5 2 80-5 2 CH3CN, v8=1
49.535565 .00000 -4.5611 3 2347.7152326 41509130381 1 3 80-1 3 CH3CN, v8=1
49.536258 .00000 -4.8144 3 2468.7999326 41509130381 4 2 80 4 2 CH3CN, v8=1
49.537327 .00000 -4.5711 3 2352.5214326 41509130381 0 2 80 0 2 CH3CN, v8=1
49.540182 .00000 -5.2381 3 2670.2465326 41509130381 9 3 80 9 3 CH3CN, v8=1
49.540459 .00000 -4.6013 3 2366.9757326 41509130381 1 2 80 1 2 CH3CN, v8=1
49.540536 .00000 -4.7228 3 2425.0781326 41509130381 3 2 80 3 2 CH3CN, v8=1
49.541919 .00000 -4.6518 3 2391.1449326 41509130381-2 2 80 2 2 CH3CN, v8=1
49.541919 .00000 -4.6518 3 2391.1449326 41509130381 2 2 80-2 2 CH3CN, v8=1
49.555349 .00000 -5.0818 3 2595.8759326 41509130381 8 3 80 8 3 CH3CN, v8=1
49.569219 .00000 -4.9462 3 2531.3143326 41509130381-7 3 80 7 3 CH3CN, v8=1
49.569219 .00000 -4.9462 3 2531.3143326 41509130381 7 3 80-7 3 CH3CN, v8=1
49.581959 .00000 -4.8310 3 2476.5822326 41509130381 6 3 80 6 3 CH3CN, v8=1
49.593795 .00000 -4.7367 3 2431.7019326 41509130381 5 3 80 5 3 CH3CN, v8=1
49.604951 .00000 -4.6629 3 2396.7016326 41509130381-4 3 80 4 3 CH3CN, v8=1
49.604951 .00000 -4.6629 3 2396.7016326 41509130381 4 3 80-4 3 CH3CN, v8=1
49.615371 .00000 -4.6100 3 2371.6214326 41509130381 3 3 80 3 3 CH3CN, v8=1
49.623880 .00000 -4.5781 3 2356.5217326 41509130381 2 3 80 2 3 CH3CN, v8=1
49.627436 .00000 -4.5674 3 2351.4757326 41509130381-1 3 80 1 3 CH3CN, v8=1
49.994552 .00000 -6.9922 3 3513.0396330 4150913038216 3 81a6 3 CH3CN, v8=1
49.994552 .00000 -6.9922 3 3513.0396330 41509130382a6 3 8116 3 CH3CN, v8=1
50.001043 .00000 -6.6498 3 3351.2445330 4150913038213 2 8113 2 CH3CN, v8=1
50.016771 -.00001 -6.9475 3 3493.1925330 4150913038214 2 81a4 2 CH3CN, v8=1
50.016771 -.00001 -6.9475 3 3493.1925330 41509130382a4 2 8114 2 CH3CN, v8=1
50.020935 .00000 -6.6939 3 3370.6628330 4150913038215 3 8115 3 CH3CN, v8=1
50.023391 .00000 -6.3737 3 3219.8786330 4150913038212 2 8112 2 CH3CN, v8=1
50.044952 .00000 -6.1183 3 3098.1313330 4150913038211 2 81a1 2 CH3CN, v8=1
50.044952 .00000 -6.1183 3 3098.1313330 41509130382a1 2 8111 2 CH3CN, v8=1
50.045674 .00000 -6.4143 3 3237.9308330 4150913038214 3 8114 3 CH3CN, v8=1
50.064731 .00000 -5.8832 3 2986.0671330 4150913038210 2 8110 2 CH3CN, v8=1
50.068790 .00000 -6.1564 3 3114.8637330 4150913038213 3 81a3 3 CH3CN, v8=1
50.068790 .00000 -6.1564 3 3114.8637330 41509130382a3 3 8113 3 CH3CN, v8=1
50.082610 .00000 -5.6694 3 2883.7157330 41509130382 9 2 81 9 2 CH3CN, v8=1
50.090269 .00000 -5.9177 3 3001.4911330 4150913038212 3 8112 3 CH3CN, v8=1
50.098518 .00000 -5.4742 3 2791.1002330 41509130382-8 2 81 8 2 CH3CN, v8=1
50.098518 .00000 -5.4742 3 2791.1002330 41509130382 8 2 81-8 2 CH3CN, v8=1
50.110138 .00000 -5.7030 3 2897.8383330 4150913038211 3 8111 3 CH3CN, v8=1
50.112378 .00000 -5.3004 3 2708.2402330 41509130382 7 2 81 7 2 CH3CN, v8=1
50.124091 .00000 -5.1471 3 2635.1519330 41509130382 6 2 81 6 2 CH3CN, v8=1
50.128438 .00000 -5.5026 3 2803.9294330 4150913038210 3 81a0 3 CH3CN, v8=1
50.128438 .00000 -5.5026 3 2803.9294330 41509130382a0 3 8110 3 CH3CN, v8=1
50.133529 .00000 -5.0144 3 2571.8478330 41509130382-5 2 81 5 2 CH3CN, v8=1
50.133529 .00000 -5.0144 3 2571.8478330 41509130382 5 2 81-5 2 CH3CN, v8=1
50.140202 .00000 -4.6490 3 2397.2508330 41509130382-1 3 81 1 3 CH3CN, v8=1
50.140513 .00000 -4.9023 3 2518.3362330 41509130382 4 2 81 4 2 CH3CN, v8=1
50.141870 .00000 -4.6590 3 2402.0587330 41509130382 0 2 81 0 2 CH3CN, v8=1
50.144819 .00000 -4.8107 3 2474.6186330 41509130382 3 2 81 3 2 CH3CN, v8=1
50.144855 .00000 -4.6892 3 2416.5162330 41509130382 1 2 81 1 2 CH3CN, v8=1
50.145226 .00000 -5.3259 3 2719.7866330 41509130382 9 3 81 9 3 CH3CN, v8=1
50.146236 .00000 -4.7397 3 2440.6868330 41509130382 2 2 81-2 2 CH3CN, v8=1
50.146236 .00000 -4.7397 3 2440.6868330 41509130382-2 2 81 2 2 CH3CN, v8=1
50.160584 .00000 -5.1696 3 2645.4312330 41509130382 8 3 81 8 3 CH3CN, v8=1
50.174633 .00000 -5.0340 3 2580.8835330 41509130382-7 3 81 7 3 CH3CN, v8=1
50.174633 .00000 -5.0340 3 2580.8835330 41509130382 7 3 81-7 3 CH3CN, v8=1
50.187537 .00000 -4.9189 3 2526.1641330 41509130382 6 3 81 6 3 CH3CN, v8=1
50.199515 .00000 -4.8246 3 2481.2957330 41509130382 5 3 81 5 3 CH3CN, v8=1
50.210770 .00000 -4.7509 3 2446.3065330 41509130382 4 3 81-4 3 CH3CN, v8=1
50.210770 .00000 -4.7509 3 2446.3065330 41509130382-4 3 81 4 3 CH3CN, v8=1
50.221206 .00000 -4.6981 3 2421.2368330 41509130382 3 3 81 3 3 CH3CN, v8=1
50.229625 .00000 -4.6662 3 2406.1455330 41509130382 2 3 81 2 3 CH3CN, v8=1
50.233104 .00000 -4.6555 3 2401.1032330 41509130382 1 3 81-1 3 CH3CN, v8=1
50.626362 .00000 -6.4626 3 3269.9020334 4150913038312 2 8212 2 CH3CN, v8=1
50.648133 .00000 -6.2078 3 3148.1762334 4150913038311 2 82a1 2 CH3CN, v8=1
50.648133 .00000 -6.2078 3 3148.1762334 41509130383a1 2 8211 2 CH3CN, v8=1
50.649324 .00000 -6.5032 3 3287.9764334 4150913038314 3 8214 3 CH3CN, v8=1
50.668099 .00000 -5.9722 3 3036.1319334 4150913038310 2 8210 2 CH3CN, v8=1
50.672698 .00000 -6.2448 3 3164.9325334 4150913038313 3 82a3 3 CH3CN, v8=1
50.672698 .00000 -6.2448 3 3164.9325334 41509130383a3 3 8213 3 CH3CN, v8=1
50.686143 .00000 -5.7578 3 2933.7983334 41509130383 9 2 82 9 2 CH3CN, v8=1
50.694421 .00000 -6.0067 3 3051.5814334 4150913038312 3 8212 3 CH3CN, v8=1
50.702192 .00000 -5.5633 3 2841.1988334 41509130383-8 2 82 8 2 CH3CN, v8=1
50.702192 .00000 -5.5633 3 2841.1988334 41509130383 8 2 82-8 2 CH3CN, v8=1
50.714519 .00000 -5.7926 3 2947.9484334 4150913038311 3 8211 3 CH3CN, v8=1
50.716168 .00000 -5.3896 3 2758.3526334 41509130383 7 2 82 7 2 CH3CN, v8=1
50.727974 .00000 -5.2364 3 2685.2760334 41509130383 6 2 82 6 2 CH3CN, v8=1
50.733034 .00000 -5.5918 3 2854.0578334 4150913038310 3 82a0 3 CH3CN, v8=1
50.733034 .00000 -5.5918 3 2854.0578334 41509130383a0 3 8210 3 CH3CN, v8=1
50.737478 .00000 -5.1037 3 2621.9814334 41509130383-5 2 82 5 2 CH3CN, v8=1
50.737478 .00000 -5.1037 3 2621.9814334 41509130383 5 2 82-5 2 CH3CN, v8=1
50.744507 .00000 -4.9916 3 2568.4767334 41509130383 4 2 82 4 2 CH3CN, v8=1
50.744585 .00000 -4.7384 3 2447.3910334 41509130383 1 3 82-1 3 CH3CN, v8=1
50.746161 .00000 -4.7484 3 2452.2006334 41509130383 0 2 82 0 2 CH3CN, v8=1
50.748843 .00000 -4.9001 3 2524.7635334 41509130383 3 2 82 3 2 CH3CN, v8=1
50.749001 .00000 -4.7786 3 2466.6610334 41509130383 1 2 82 1 2 CH3CN, v8=1
50.750024 .00000 -5.4152 3 2769.9319334 41509130383 9 3 82 9 3 CH3CN, v8=1
50.750298 .00000 -4.8291 3 2490.8331334 41509130383-2 2 82 2 2 CH3CN, v8=1
50.750298 .00000 -4.8291 3 2490.8331334 41509130383 2 2 82-2 2 CH3CN, v8=1
50.765573 .00000 -5.2590 3 2695.5918334 41509130383 8 3 82 8 3 CH3CN, v8=1
50.779798 .00000 -5.1233 3 2631.0581334 41509130383-7 3 82 7 3 CH3CN, v8=1
50.779798 .00000 -5.1233 3 2631.0581334 41509130383 7 3 82-7 3 CH3CN, v8=1
50.792866 .00000 -5.0084 3 2576.3516334 41509130383 6 3 82 6 3 CH3CN, v8=1
50.804982 .00000 -4.9141 3 2531.4952334 41509130383 5 3 82 5 3 CH3CN, v8=1
50.816331 .00000 -4.8404 3 2496.5173334 41509130383-4 3 82 4 3 CH3CN, v8=1
50.816331 .00000 -4.8404 3 2496.5173334 41509130383 4 3 82-4 3 CH3CN, v8=1
50.826778 .00000 -4.7876 3 2471.4580334 41509130383 3 3 82 3 3 CH3CN, v8=1
50.835109 .00000 -4.7558 3 2456.3752334 41509130383 2 3 82 2 3 CH3CN, v8=1
50.838515 .00000 -4.7451 3 2451.3363334 41509130383-1 3 82 1 3 CH3CN, v8=1
51.229076 .00000 -6.5530 3 3320.5284338 4150913038412 2 8312 2 CH3CN, v8=1
51.251055 .00000 -6.2977 3 3198.8244338 4150913038411 2 83a1 2 CH3CN, v8=1
51.251055 .00000 -6.2977 3 3198.8244338 41509130384a1 2 8311 2 CH3CN, v8=1
51.252729 .00000 -6.5935 3 3338.6258338 4150913038414 3 8314 3 CH3CN, v8=1
51.271206 .00000 -6.0627 3 3086.8000338 4150913038410 2 8310 2 CH3CN, v8=1
51.276361 .00000 -6.3351 3 3215.6052338 4150913038413 3 83a3 3 CH3CN, v8=1
51.276361 .00000 -6.3351 3 3215.6052338 41509130384a3 3 8313 3 CH3CN, v8=1
51.289414 .00000 -5.8484 3 2984.4845338 41509130384 9 2 83 9 2 CH3CN, v8=1
51.298326 .00000 -6.0972 3 3102.2758338 4150913038412 3 8312 3 CH3CN, v8=1
51.305603 .00000 -5.6540 3 2891.9010338 41509130384-8 2 83 8 2 CH3CN, v8=1
51.305603 .00000 -5.6540 3 2891.9010338 41509130384 8 2 83-8 2 CH3CN, v8=1
51.318651 .00000 -5.8798 3 2998.6630338 4150913038411 3 8311 3 CH3CN, v8=1
51.319695 .00000 -5.4803 3 2809.0688338 41509130384 7 2 83 7 2 CH3CN, v8=1
51.331592 .00000 -5.3272 3 2736.0039338 41509130384 6 2 83 6 2 CH3CN, v8=1
51.337381 .00000 -5.6824 3 2904.7909338 4150913038410 3 83a0 3 CH3CN, v8=1
51.337381 .00000 -5.6824 3 2904.7909338 41509130384a0 3 8310 3 CH3CN, v8=1
51.341163 .00000 -5.1945 3 2672.7188338 41509130384-5 2 83 5 2 CH3CN, v8=1
51.341163 .00000 -5.1945 3 2672.7188338 41509130384 5 2 83-5 2 CH3CN, v8=1
51.348237 .00000 -5.0824 3 2619.2212338 41509130384 4 2 83 4 2 CH3CN, v8=1
51.348710 .00000 -4.8292 3 2498.1356338 41509130384-1 3 83 1 3 CH3CN, v8=1
51.350198 .00000 -4.8392 3 2502.9468338 41509130384 0 2 83 0 2 CH3CN, v8=1
51.352607 .00000 -4.9909 3 2575.5123338 41509130384 3 2 83 3 2 CH3CN, v8=1
51.352893 .00000 -4.8696 3 2517.4100338 41509130384 1 2 83 1 2 CH3CN, v8=1
51.354103 .00000 -4.9199 3 2541.5834338 41509130384 2 2 83-2 2 CH3CN, v8=1
51.354104 .00000 -4.9199 3 2541.5834338 41509130384-2 2 83 2 2 CH3CN, v8=1
51.354573 .00000 -5.5059 3 2820.6819338 41509130384 9 3 83 9 3 CH3CN, v8=1
51.370311 .00000 -5.3497 3 2746.3574338 41509130384 8 3 83 8 3 CH3CN, v8=1
51.384713 .00000 -5.2142 3 2681.8379338 41509130384-7 3 83 7 3 CH3CN, v8=1
51.384713 .00000 -5.2142 3 2681.8379338 41509130384 7 3 83-7 3 CH3CN, v8=1
51.397941 .00000 -5.0992 3 2627.1445338 41509130384 6 3 83 6 3 CH3CN, v8=1
51.410193 .00000 -5.0050 3 2582.3002338 41509130384 5 3 83 5 3 CH3CN, v8=1
51.421631 .00000 -4.9313 3 2547.3336338 41509130384 4 3 83-4 3 CH3CN, v8=1
51.421631 .00000 -4.9313 3 2547.3336338 41509130384-4 3 83 4 3 CH3CN, v8=1
51.432085 .00000 -4.8786 3 2522.2848338 41509130384 3 3 83 3 3 CH3CN, v8=1
51.440327 .00000 -4.8468 3 2507.2103338 41509130384 2 3 83 2 3 CH3CN, v8=1
51.443665 .00000 -4.8361 3 2502.1748338 41509130384 1 3 83-1 3 CH3CN, v8=1
51.831531 .00000 -6.6448 3 3371.7575342 4150913038512 2 8412 2 CH3CN, v8=1
51.853716 .00000 -6.3896 3 3250.0754342 4150913038511 2 84a1 2 CH3CN, v8=1
51.853716 .00000 -6.3896 3 3250.0754342 41509130385a1 2 8411 2 CH3CN, v8=1
51.874052 .00000 -6.1547 3 3138.0712342 4150913038510 2 8410 2 CH3CN, v8=1
51.879774 .00000 -6.4270 3 3266.8816342 4150913038513 3 84a3 3 CH3CN, v8=1
51.879774 .00000 -6.4270 3 3266.8816342 41509130385a3 3 8413 3 CH3CN, v8=1
51.892421 .00000 -5.9402 3 3035.7739342 41509130385 9 2 84 9 2 CH3CN, v8=1
51.901981 .00000 -6.1891 3 3153.5741342 4150913038512 3 8412 3 CH3CN, v8=1
51.908748 .00000 -5.7461 3 2943.2066342 41509130385-8 2 84 8 2 CH3CN, v8=1
51.908748 .00000 -5.7461 3 2943.2066342 41509130385 8 2 84-8 2 CH3CN, v8=1
51.922534 .00000 -5.9716 3 3049.9816342 4150913038511 3 8411 3 CH3CN, v8=1
51.922955 .00000 -5.5725 3 2860.3884342 41509130385 7 2 84 7 2 CH3CN, v8=1
51.934943 .00000 -5.4193 3 2787.3355342 41509130385 6 2 84 6 2 CH3CN, v8=1
51.941477 .00000 -5.7745 3 2956.1282342 4150913038510 3 84a0 3 CH3CN, v8=1
51.941477 .00000 -5.7745 3 2956.1282342 41509130385a0 3 8410 3 CH3CN, v8=1
51.944581 .00000 -5.2867 3 2724.0600342 41509130385-5 2 84 5 2 CH3CN, v8=1
51.944581 .00000 -5.2867 3 2724.0600342 41509130385 5 2 84-5 2 CH3CN, v8=1
51.951702 .00000 -5.1747 3 2670.5695342 41509130385 4 2 84 4 2 CH3CN, v8=1
51.952574 .00000 -4.9214 3 2549.4843342 41509130385 1 3 84-1 3 CH3CN, v8=1
51.953977 .00000 -4.9315 3 2554.2970342 41509130385 0 2 84 0 2 CH3CN, v8=1
51.956107 .00000 -5.0836 3 2626.8649342 41509130385 3 2 84 3 2 CH3CN, v8=1
51.956529 .00000 -4.9619 3 2568.7629342 41509130385 1 2 84 1 2 CH3CN, v8=1
51.957649 .00000 -5.0122 3 2592.9375342 41509130385-2 2 84 2 2 CH3CN, v8=1
51.957649 .00000 -5.0122 3 2592.9375342 41509130385 2 2 84-2 2 CH3CN, v8=1
51.958870 .00000 -5.5980 3 2872.0365342 41509130385 9 3 84 9 3 CH3CN, v8=1
51.974796 .00000 -5.4419 3 2797.7277342 41509130385 8 3 84 8 3 CH3CN, v8=1
51.989373 .00000 -5.3069 3 2733.2227342 41509130385-7 3 84 7 3 CH3CN, v8=1
51.989373 .00000 -5.3069 3 2733.2227342 41509130385 7 3 84-7 3 CH3CN, v8=1
52.002759 .00000 -5.1915 3 2678.5425342 41509130385 6 3 84 6 3 CH3CN, v8=1
52.015144 .00000 -5.0973 3 2633.7104342 41509130385 5 3 84 5 3 CH3CN, v8=1
52.026667 .00000 -5.0237 3 2598.7553342 41509130385-4 3 84 4 3 CH3CN, v8=1
52.026667 .00000 -5.0237 3 2598.7553342 41509130385 4 3 84-4 3 CH3CN, v8=1
52.037124 .00000 -4.9710 3 2573.7169342 41509130385 3 3 84 3 3 CH3CN, v8=1
52.045279 .00000 -4.9392 3 2558.6506342 41509130385 2 3 84 2 3 CH3CN, v8=1
52.048550 .00000 -4.9285 3 2553.6184342 41509130385-1 3 84 1 3 CH3CN, v8=1
52.456112 .00000 -6.4829 3 3301.9291346 4150913038611 2 85a1 2 CH3CN, v8=1
52.456112 .00000 -6.4829 3 3301.9291346 41509130386a1 2 8511 2 CH3CN, v8=1
52.476631 .00000 -6.2481 3 3189.9452346 4150913038610 2 8510 2 CH3CN, v8=1
52.482936 .00000 -6.5203 3 3318.7614346 4150913038613 3 85a3 3 CH3CN, v8=1
52.482936 .00000 -6.5203 3 3318.7614346 41509130386a3 3 8513 3 CH3CN, v8=1
52.495160 .00000 -6.0336 3 3087.6663346 41509130386 9 2 85 9 2 CH3CN, v8=1
52.505383 .00000 -6.2825 3 3205.4761346 4150913038612 3 8512 3 CH3CN, v8=1
52.511626 .00000 -5.8396 3 2995.1153346 41509130386-8 2 85 8 2 CH3CN, v8=1
52.511626 .00000 -5.8396 3 2995.1153346 41509130386 8 2 85-8 2 CH3CN, v8=1
52.525947 .00000 -5.6660 3 2912.3114346 41509130386 7 2 85 7 2 CH3CN, v8=1
52.526162 .00000 -6.0653 3 3101.9042346 4150913038611 3 8511 3 CH3CN, v8=1
52.538025 .00000 -5.5130 3 2839.2705346 41509130386 6 2 85 6 2 CH3CN, v8=1
52.545318 .00000 -5.8681 3 3008.0697346 4150913038610 3 85a0 3 CH3CN, v8=1
52.545318 .00000 -5.8681 3 3008.0697346 41509130386a0 3 8510 3 CH3CN, v8=1
52.547730 .00000 -5.3804 3 2776.0046346 41509130386-5 2 85 5 2 CH3CN, v8=1
52.547730 .00000 -5.3804 3 2776.0046346 41509130386 5 2 85-5 2 CH3CN, v8=1
52.554898 .00000 -5.2684 3 2722.5212346 41509130386 4 2 85 4 2 CH3CN, v8=1
52.556174 .00000 -5.0151 3 2601.4369346 41509130386-1 3 85 1 3 CH3CN, v8=1
52.557495 .00000 -5.0252 3 2606.2509346 41509130386 0 2 85 0 2 CH3CN, v8=1
52.559340 .00000 -5.1772 3 2678.8210346 41509130386 3 2 85 3 2 CH3CN, v8=1
52.559905 .00000 -5.0555 3 2620.7194346 41509130386 1 2 85 1 2 CH3CN, v8=1
52.560931 .00000 -5.1059 3 2644.8951346 41509130386 2 2 85-2 2 CH3CN, v8=1
52.560932 .00000 -5.1059 3 2644.8951346 41509130386-2 2 85 2 2 CH3CN, v8=1
52.562911 .00000 -5.6916 3 2923.9953346 41509130386 9 3 85 9 3 CH3CN, v8=1
52.579015 -.00001 -5.5356 3 2849.7025346 -41509130386 8 3 85 8 3 CH3CN, v8=1
52.593772 .00000 -5.4001 3 2785.2120346 -41509130386-7 3 85 7 3 CH3CN, v8=1
52.593772 .00000 -5.4001 3 2785.2120346 -41509130386 7 3 85-7 3 CH3CN, v8=1
52.607315 .00000 -5.2853 3 2730.5452346 -41509130386 6 3 85 6 3 CH3CN, v8=1
52.619829 .00000 -5.1911 3 2685.7255346 -41509130386 5 3 85 5 3 CH3CN, v8=1
52.631435 .00000 -5.1175 3 2650.7819346 -41509130386 4 3 85-4 3 CH3CN, v8=1
52.631435 .00000 -5.1175 3 2650.7819346 -41509130386-4 3 85 4 3 CH3CN, v8=1
52.641892 .00000 -5.0649 3 2625.7540346 -41509130386 3 3 85 3 3 CH3CN, v8=1
52.649960 .00000 -5.0331 3 2610.6959346 -41509130386 2 3 85 2 3 CH3CN, v8=1
52.653169 .00000 -5.0224 3 2605.6670346 -41509130386 1 3 85-1 3 CH3CN, v8=1
53.058241 .00000 -6.5776 3 3354.3853350 4150913038711 2 86a1 2 CH3CN, v8=1
53.058241 .00000 -6.5776 3 3354.3853350 41509130387a1 2 8611 2 CH3CN, v8=1
53.078941 .00000 -6.3429 3 3242.4218350 4150913038710 2 8610 2 CH3CN, v8=1
53.085842 .00000 -6.6150 3 3371.2443350 4150913038713 3 86a3 3 CH3CN, v8=1
53.085842 .00000 -6.6150 3 3371.2443350 41509130387a3 3 8613 3 CH3CN, v8=1
53.097630 .00000 -6.1285 3 3140.1615350 41509130387 9 2 86 9 2 CH3CN, v8=1
53.108528 .00000 -6.3773 3 3257.9815350 4150913038712 3 8612 3 CH3CN, v8=1
53.114231 -.00001 -5.9345 3 3047.6269350 -41509130387-8 2 86 8 2 CH3CN, v8=1
53.114231 -.00001 -5.9345 3 3047.6269350 -41509130387 8 2 86-8 2 CH3CN, v8=1
53.128666 .00000 -5.7610 3 2964.8373350 41509130387 7 2 86 7 2 CH3CN, v8=1
53.129533 .00000 -6.1601 3 3154.4303350 4150913038711 3 8611 3 CH3CN, v8=1
53.140834 .00000 -5.6080 3 2891.8085350 -41509130387 6 2 86 6 2 CH3CN, v8=1
53.148900 .00000 -5.9630 3 3060.6150350 -4150913038710 3 86a0 3 CH3CN, v8=1
53.148900 .00000 -5.9630 3 3060.6150350 -41509130387a0 3 8610 3 CH3CN, v8=1
53.150606 .00000 -5.4755 3 2828.5523350 -41509130387-5 2 86 5 2 CH3CN, v8=1
53.150606 .00000 -5.4755 3 2828.5523350 -41509130387 5 2 86-5 2 CH3CN, v8=1
53.157823 .00000 -5.3635 3 2775.0761350 -41509130387 4 2 86 4 2 CH3CN, v8=1
53.159510 .00000 -5.1103 3 2653.9930350 -41509130387 1 3 86-1 3 CH3CN, v8=1
53.160744 .00000 -5.1203 3 2658.8084350 -41509130387 0 2 86 0 2 CH3CN, v8=1
53.162307 .00000 -5.2720 3 2731.3804350 -41509130387 3 2 86 3 2 CH3CN, v8=1
53.163019 .00000 -5.1507 3 2673.2794350 -41509130387 1 2 86 1 2 CH3CN, v8=1
53.163950 .00000 -5.2010 3 2697.4560350 -41509130387-2 2 86 2 2 CH3CN, v8=1
53.163950 .00000 -5.2010 3 2697.4560350 -41509130387 2 2 86-2 2 CH3CN, v8=1
53.166683 -.00001 -5.7866 3 2976.5582350 -41509130387 9 3 86 9 3 CH3CN, v8=1
53.182996 -.00001 -5.6306 3 2902.2815350 -41509130387 8 3 86 8 3 CH3CN, v8=1
53.197918 .00000 -5.4952 3 2837.8058350 -41509130387-7 3 86 7 3 CH3CN, v8=1
53.197918 .00000 -5.4952 3 2837.8058350 -41509130387 7 3 86-7 3 CH3CN, v8=1
53.211612 .00000 -5.3805 3 2783.1525350 -41509130387 6 3 86 6 3 CH3CN, v8=1
53.224254 -.00001 -5.2863 3 2738.3454350 -41509130387 5 3 86 5 3 CH3CN, v8=1
53.235930 .00000 -5.2128 3 2703.4134350 -41509130387-4 3 86 4 3 CH3CN, v8=1
53.235930 .00000 -5.2128 3 2703.4134350 -41509130387 4 3 86-4 3 CH3CN, v8=1
53.246387 .00000 -5.1602 3 2678.3959350 -41509130387 3 3 86 3 3 CH3CN, v8=1
53.254365 -.00001 -5.1284 3 2663.3458350 -41509130387 2 3 86 2 3 CH3CN, v8=1
53.257508 -.00001 -5.1178 3 2658.3202350 -41509130387-1 3 86 1 3 CH3CN, v8=1
53.660100 .00000 -6.6740 3 3407.4435354 4150913038811 2 87a1 2 CH3CN, v8=1
53.660100 .00000 -6.6740 3 3407.4435354 41509130388a1 2 8711 2 CH3CN, v8=1
53.680980 .00000 -6.4392 3 3295.5008354 4150913038810 2 8710 2 CH3CN, v8=1
53.688490 .00000 -6.7112 3 3424.3301354 4150913038813 3 87a3 3 CH3CN, v8=1
53.688490 .00000 -6.7112 3 3424.3301354 41509130388a3 3 8713 3 CH3CN, v8=1
53.699827 .00000 -6.2249 3 3193.2591354 41509130388 9 2 87 9 2 CH3CN, v8=1
53.711415 .00000 -6.4736 3 3311.0900354 4150913038812 3 8712 3 CH3CN, v8=1
53.716565 -.00001 -6.0309 3 3100.7412354 -41509130388-8 2 87 8 2 CH3CN, v8=1
53.716565 -.00001 -6.0309 3 3100.7412354 -41509130388 8 2 87-8 2 CH3CN, v8=1
53.731115 -.00001 -5.8575 3 3017.9660354 -41509130388 7 2 87 7 2 CH3CN, v8=1
53.732644 .00000 -6.2563 3 3207.5598354 4150913038811 3 8711 3 CH3CN, v8=1
53.743372 .00000 -5.7045 3 2944.9493354 -41509130388 6 2 87 6 2 CH3CN, v8=1
53.752213 -.00001 -6.0594 3 3113.7639354 -4150913038810 3 87a0 3 CH3CN, v8=1
53.752213 -.00001 -6.0594 3 3113.7639354 -41509130388a0 3 8710 3 CH3CN, v8=1
53.753206 .00000 -5.5824 3 2881.7029354 -41509130388-5 2 87 5 2 CH3CN, v8=1
53.753206 .00000 -5.5824 3 2881.7029354 -41509130388 5 2 87-5 2 CH3CN, v8=1
53.760478 .00000 -5.4600 3 2828.2339354 -41509130388 4 2 87 4 2 CH3CN, v8=1
53.762569 .00000 -5.2068 3 2707.1526354 -41509130388-1 3 87 1 3 CH3CN, v8=1
53.763735 .00000 -5.2169 3 2711.9692354 -41509130388 0 2 87 0 2 CH3CN, v8=1
53.765000 .00000 -5.3802 3 2784.5427354 -41509130388 3 2 87 3 2 CH3CN, v8=1
53.765867 .00000 -5.2473 3 2726.4424354 -41509130388 1 2 87 1 2 CH3CN, v8=1
53.766698 .00000 -5.2976 3 2750.6200354 -41509130388 2 2 87-2 2 CH3CN, v8=1
53.766698 .00000 -5.2976 3 2750.6200354 -41509130388-2 2 87 2 2 CH3CN, v8=1
53.770210 .00000 -5.8831 3 3029.7249354 -41509130388 9 3 87 9 3 CH3CN, v8=1
53.786694 .00000 -5.7272 3 2955.4645354 -41509130388 8 3 87 8 3 CH3CN, v8=1
53.801787 .00000 -5.5918 3 2891.0037354 -41509130388-7 3 87 7 3 CH3CN, v8=1
53.801787 .00000 -5.5918 3 2891.0037354 -41509130388 7 3 87-7 3 CH3CN, v8=1
53.815636 .00000 -5.4771 3 2836.3641354 -41509130388 6 3 87 6 3 CH3CN, v8=1
53.828401 .00000 -5.3829 3 2791.5696354 -41509130388 5 3 87 5 3 CH3CN, v8=1
53.840153 .00000 -5.3095 3 2756.6493354 -41509130388 4 3 87-4 3 CH3CN, v8=1
53.840153 .00000 -5.3095 3 2756.6493354 -41509130388-4 3 87 4 3 CH3CN, v8=1
53.850596 .00000 -5.2569 3 2731.6423354 -41509130388 3 3 87 3 3 CH3CN, v8=1
53.858498 .00000 -5.2252 3 2716.6002354 -41509130388 2 3 87 2 3 CH3CN, v8=1
53.861586 .00000 -5.2145 3 2711.5777354 -41509130388 1 3 87-1 3 CH3CN, v8=1
54.261686 .00000 -6.7716 3 3461.1036358 4150913038911 2 88a1 2 CH3CN, v8=1
54.261686 .00000 -6.7716 3 3461.1036358 41509130389a1 2 8811 2 CH3CN, v8=1
54.282744 .00000 -6.5369 3 3349.1818358 4150913038910 2 8810 2 CH3CN, v8=1
54.290876 .00000 -6.8088 3 3478.0186358 4150913038913 3 88a3 3 CH3CN, v8=1
54.290876 .00000 -6.8088 3 3478.0186358 41509130389a3 3 8813 3 CH3CN, v8=1
54.301747 .00000 -6.3230 3 3246.9589358 41509130389 9 2 88 9 2 CH3CN, v8=1
54.314039 .00000 -6.5713 3 3364.8014358 4150913038912 3 8812 3 CH3CN, v8=1
54.318618 .00000 -6.1287 3 3154.4577358 41509130389-8 2 88 8 2 CH3CN, v8=1
54.318618 .00000 -6.1287 3 3154.4577358 41509130389 8 2 88-8 2 CH3CN, v8=1
54.333276 .00000 -5.9553 3 3071.6971358 41509130389 7 2 88 7 2 CH3CN, v8=1
54.335492 .00000 -6.3541 3 3261.2925358 4150913038911 3 8811 3 CH3CN, v8=1
54.345621 .00000 -5.8024 3 2998.6927358 41509130389 6 2 88 6 2 CH3CN, v8=1
54.355281 .00000 -6.1573 3 3167.5162358 4150913038910 3 88a0 3 CH3CN, v8=1
54.355281 .00000 -6.1573 3 3167.5162358 41509130389a0 3 8810 3 CH3CN, v8=1
54.355529 .00000 -5.6791 3 2935.4561358 41509130389-5 2 88 5 2 CH3CN, v8=1
54.355529 .00000 -5.6791 3 2935.4561358 41509130389 5 2 88-5 2 CH3CN, v8=1
54.362846 .00000 -5.5580 3 2881.9944358 41509130389 4 2 88 4 2 CH3CN, v8=1
54.365358 .00000 -5.3048 3 2760.9151358 41509130389 1 3 88-1 3 CH3CN, v8=1
54.366449 .00000 -5.3149 3 2765.7329358 41509130389 0 2 88 0 2 CH3CN, v8=1
54.367415 .00000 -5.4795 3 2838.3077358 41509130389 3 2 88 3 2 CH3CN, v8=1
54.368444 .00000 -5.3453 3 2780.2082358 41509130389 1 2 88 1 2 CH3CN, v8=1
54.369174 .00000 -5.3956 3 2804.3867358 41509130389-2 2 88 2 2 CH3CN, v8=1
54.369174 .00000 -5.3956 3 2804.3867358 41509130389 2 2 88-2 2 CH3CN, v8=1
54.373468 .00000 -5.9810 3 3083.4952358 41509130389 9 3 88 9 3 CH3CN, v8=1
54.390136 .00000 -5.8251 3 3009.2512358 41509130389 8 3 88 8 3 CH3CN, v8=1
54.405397 .00000 -5.6899 3 2944.8055358 41509130389-7 3 88 7 3 CH3CN, v8=1
54.405397 .00000 -5.6899 3 2944.8055358 41509130389 7 3 88-7 3 CH3CN, v8=1
54.419394 .00000 -5.5751 3 2890.1798358 41509130389 6 3 88 6 3 CH3CN, v8=1
54.432275 .00000 -5.4810 3 2845.3980358 41509130389 5 3 88 5 3 CH3CN, v8=1
54.444096 .00000 -5.4076 3 2810.4895358 41509130389-4 3 88 4 3 CH3CN, v8=1
54.444096 .00000 -5.4076 3 2810.4895358 41509130389 4 3 88-4 3 CH3CN, v8=1
54.454531 .00000 -5.3551 3 2785.4929358 41509130389 3 3 88 3 3 CH3CN, v8=1
54.462349 .00000 -5.3234 3 2770.4587358 41509130389 2 3 88 2 3 CH3CN, v8=1
54.465382 .00000 -5.3127 3 2765.4393358 41509130389-1 3 88 1 3 CH3CN, v8=1
54.862994 .00000 -6.8705 3 3515.3653362 4150913039011 2 89a1 2 CH3CN, v8=1
54.862994 .00000 -6.8705 3 3515.3653362 41509130390a1 2 8911 2 CH3CN, v8=1
54.884229 .00000 -6.6360 3 3403.4645362 4150913039010 2 8910 2 CH3CN, v8=1
54.892998 .00000 -6.9080 3 3532.3095362 4150913039013 3 89a3 3 CH3CN, v8=1
54.892998 .00000 -6.9080 3 3532.3095362 41509130390a3 3 8913 3 CH3CN, v8=1
54.903388 .00000 -6.4224 3 3301.2607362 41509130390 9 2 89 9 2 CH3CN, v8=1
54.920392 .00000 -6.2280 3 3208.7763362 41509130390-8 2 89 8 2 CH3CN, v8=1
54.920392 .00000 -6.2280 3 3208.7763362 41509130390 8 2 89-8 2 CH3CN, v8=1
54.935160 .00000 -6.0546 3 3126.0304362 41509130390 7 2 89 7 2 CH3CN, v8=1
54.938073 .00000 -6.4533 3 3315.6280362 4150913039011 3 8911 3 CH3CN, v8=1
54.947594 .00000 -5.9017 3 3053.0383362 41509130390 6 2 89 6 2 CH3CN, v8=1
54.957570 .00000 -5.7694 3 2989.8117362 41509130390-5 2 89 5 2 CH3CN, v8=1
54.957570 .00000 -5.7694 3 2989.8117362 41509130390 5 2 89-5 2 CH3CN, v8=1
54.958071 .00000 -6.2565 3 3221.8714362 4150913039010 3 89a0 3 CH3CN, v8=1
54.958071 .00000 -6.2565 3 3221.8714362 41509130390a0 3 8910 3 CH3CN, v8=1
54.964939 .00000 -5.6574 3 2936.3572362 41509130390 4 2 89 4 2 CH3CN, v8=1
54.967871 .00000 -5.4042 3 2815.2805362 41509130390-1 3 89 1 3 CH3CN, v8=1
54.968890 .00000 -5.4143 3 2820.0994362 41509130390 0 2 89 0 2 CH3CN, v8=1
54.969556 .00000 -5.5660 3 2892.6751362 41509130390 3 2 89 3 2 CH3CN, v8=1
54.970750 .00000 -5.4447 3 2834.5767362 41509130390 1 2 89 1 2 CH3CN, v8=1
54.971377 .00000 -5.4950 3 2858.7559362 41509130390 2 2 89-2 2 CH3CN, v8=1
54.971377 .00000 -5.4950 3 2858.7559362 41509130390-2 2 89 2 2 CH3CN, v8=1
54.976454 .00000 -6.0803 3 3137.8686362 41509130390 9 3 89 9 3 CH3CN, v8=1
54.993304 .00000 -5.9245 3 3063.6413362 41509130390 8 3 89 8 3 CH3CN, v8=1
55.008732 .00000 -5.7892 3 2999.2109362 41509130390-7 3 89 7 3 CH3CN, v8=1
55.008732 .00000 -5.7892 3 2999.2109362 41509130390 7 3 89-7 3 CH3CN, v8=1
55.022876 .00000 -5.6746 3 2944.5992362 41509130390 6 3 89 6 3 CH3CN, v8=1
55.035873 .00000 -5.5805 3 2899.8303362 41509130390 5 3 89 5 3 CH3CN, v8=1
55.047758 .00000 -5.5072 3 2864.9336362 41509130390 4 3 89-4 3 CH3CN, v8=1
55.047758 .00000 -5.5072 3 2864.9336362 41509130390-4 3 89 4 3 CH3CN, v8=1
55.058180 .00000 -5.4547 3 2839.9474362 41509130390 3 3 89 3 3 CH3CN, v8=1
55.065918 .00000 -5.4230 3 2824.9211362 41509130390 2 3 89 2 3 CH3CN, v8=1
55.068897 .00000 -5.4124 3 2819.9046362 41509130390 1 3 89-1 3 CH3CN, v8=1
55.504747 .00000 -6.5227 3 3356.1641366 41509130391 9 2 90 9 2 CH3CN, v8=1
55.521883 .00000 -6.3286 3 3263.6967366 41509130391-8 2 90 8 2 CH3CN, v8=1
55.521883 .00000 -6.3286 3 3263.6967366 41509130391 8 2 90-8 2 CH3CN, v8=1
55.536761 .00000 -6.1553 3 3180.9656366 41509130391 7 2 90 7 2 CH3CN, v8=1
55.540383 .00000 -6.5539 3 3370.5661366 4150913039111 3 9011 3 CH3CN, v8=1
55.549283 .00000 -6.0025 3 3107.9859366 41509130391 6 2 90 6 2 CH3CN, v8=1
55.559327 .00000 -5.8701 3 3044.7692366 41509130391-5 2 90 5 2 CH3CN, v8=1
55.559327 .00000 -5.8701 3 3044.7692366 41509130391 5 2 90-5 2 CH3CN, v8=1
55.560591 .00000 -6.3572 3 3276.8295366 4150913039110 3 90a0 3 CH3CN, v8=1
55.560591 .00000 -6.3572 3 3276.8295366 41509130391a0 3 9010 3 CH3CN, v8=1
55.566750 .00000 -5.7582 3 2991.3221366 41509130391 4 2 90 4 2 CH3CN, v8=1
55.570104 .00000 -5.5050 3 2870.2483366 41509130391 1 3 90-1 3 CH3CN, v8=1
55.571054 .00000 -5.5151 3 2875.0682366 41509130391 0 2 90 0 2 CH3CN, v8=1
55.571416 .00000 -5.6668 3 2947.6446366 41509130391 3 2 90 3 2 CH3CN, v8=1
55.572781 .00000 -5.5454 3 2889.5474366 41509130391 1 2 90 1 2 CH3CN, v8=1
55.573303 .00000 -5.5958 3 2913.7272366 41509130391-2 2 90 2 2 CH3CN, v8=1
55.573303 .00000 -5.5958 3 2913.7272366 41509130391 2 2 90-2 2 CH3CN, v8=1
55.579168 .00000 -6.1812 3 3192.8451366 41509130391 9 3 90 9 3 CH3CN, v8=1
55.596199 .00000 -6.0253 3 3118.6346366 41509130391 8 3 90 8 3 CH3CN, v8=1
55.611793 .00000 -5.8902 3 3054.2196366 41509130391-7 3 90 7 3 CH3CN, v8=1
55.611793 .00000 -5.8902 3 3054.2196366 41509130391 7 3 90-7 3 CH3CN, v8=1
55.626081 .00000 -5.7755 3 2999.6221366 41509130391 6 3 90 6 3 CH3CN, v8=1
55.639190 .00000 -5.6815 3 2954.8662366 41509130391 5 3 90 5 3 CH3CN, v8=1
55.651135 .00000 -5.6081 3 2919.9813366 41509130391-4 3 90 4 3 CH3CN, v8=1
55.651135 .00000 -5.6081 3 2919.9813366 41509130391 4 3 90-4 3 CH3CN, v8=1
55.661542 .00000 -5.5556 3 2895.0056366 41509130391 3 3 90 3 3 CH3CN, v8=1
55.669201 .00000 -5.5241 3 2879.9870366 41509130391 2 3 90 2 3 CH3CN, v8=1
55.672129 .00000 -5.5134 3 2874.9735366 41509130391-1 3 90 1 3 CH3CN, v8=1
56.123087 .00000 -6.4307 3 3319.2186370 41509130392-8 2 91 8 2 CH3CN, v8=1
56.123087 .00000 -6.4307 3 3319.2186370 41509130392 8 2 91-8 2 CH3CN, v8=1
56.138075 .00000 -6.2575 3 3236.5023370 41509130392 7 2 91 7 2 CH3CN, v8=1
56.150685 .00000 -6.1050 3 3163.5352370 41509130392 6 2 91 6 2 CH3CN, v8=1
56.160797 .00000 -5.9723 3 3100.3286370 41509130392-5 2 91 5 2 CH3CN, v8=1
56.160797 .00000 -5.9723 3 3100.3286370 41509130392 5 2 91-5 2 CH3CN, v8=1
56.162835 .00000 -6.4593 3 3332.3901370 4150913039210 3 91a0 3 CH3CN, v8=1
56.162835 .00000 -6.4593 3 3332.3901370 41509130392a0 3 9110 3 CH3CN, v8=1
56.168275 .00000 -5.8604 3 3046.8889370 41509130392 4 2 91 4 2 CH3CN, v8=1
56.172054 .00000 -5.6073 3 2925.8185370 41509130392-1 3 91 1 3 CH3CN, v8=1
56.172938 .00000 -5.6174 3 2930.6393370 41509130392 0 2 91 0 2 CH3CN, v8=1
56.172993 .00000 -5.7690 3 3003.2160370 41509130392 3 2 91 3 2 CH3CN, v8=1
56.174533 .00000 -5.6476 3 2945.1202370 41509130392 1 2 91 1 2 CH3CN, v8=1
56.174949 .00000 -5.6981 3 2969.3005370 41509130392 2 2 91-2 2 CH3CN, v8=1
56.174949 .00000 -5.6981 3 2969.3005370 41509130392-2 2 91 2 2 CH3CN, v8=1
56.181607 .00000 -6.2832 3 3248.4242370 41509130392 9 3 91 9 3 CH3CN, v8=1
56.198817 .00000 -6.1275 3 3174.2308370 41509130392 8 3 91 8 3 CH3CN, v8=1
56.214574 .00000 -5.9923 3 3109.8314370 41509130392-7 3 91 7 3 CH3CN, v8=1
56.214574 .00000 -5.9923 3 3109.8314370 41509130392 7 3 91-7 3 CH3CN, v8=1
56.229004 .00000 -5.8778 3 3055.2481370 41509130392 6 3 91 6 3 CH3CN, v8=1
56.242222 .00000 -5.7838 3 3010.5054370 41509130392 5 3 91 5 3 CH3CN, v8=1
56.254224 .00000 -5.7105 3 2975.6325370 41509130392 4 3 91-4 3 CH3CN, v8=1
56.254224 .00000 -5.7105 3 2975.6325370 41509130392-4 3 91 4 3 CH3CN, v8=1
56.264614 .00000 -5.6580 3 2950.6671370 41509130392 3 3 91 3 3 CH3CN, v8=1
56.272195 .00000 -5.6265 3 2935.6562370 41509130392 2 3 91 2 3 CH3CN, v8=1
56.275075 .00000 -5.6158 3 2930.6457370 41509130392 1 3 91-1 3 CH3CN, v8=1
56.724003 .00000 -6.5342 3 3375.3417374 41509130393-8 2 92 8 2 CH3CN, v8=1
56.724003 .00000 -6.5342 3 3375.3417374 41509130393 8 2 92-8 2 CH3CN, v8=1
56.739099 .00000 -6.3610 3 3292.6404374 41509130393 7 2 92 7 2 CH3CN, v8=1
56.751797 .00000 -6.2086 3 3219.6859374 41509130393 6 2 92 6 2 CH3CN, v8=1
56.761978 .00000 -6.0762 3 3156.4893374 41509130393-5 2 92 5 2 CH3CN, v8=1
56.761978 .00000 -6.0762 3 3156.4893374 41509130393 5 2 92-5 2 CH3CN, v8=1
56.764803 .00000 -6.5628 3 3388.5529374 4150913039310 3 92a0 3 CH3CN, v8=1
56.764803 .00000 -6.5628 3 3388.5529374 41509130393a0 3 9210 3 CH3CN, v8=1
56.769512 .00000 -5.9640 3 3103.0572374 41509130393 4 2 92 4 2 CH3CN, v8=1
56.773718 .00000 -5.7109 3 2981.9905374 41509130393 1 3 92-1 3 CH3CN, v8=1
56.774284 .00000 -5.8727 3 3059.3890374 41509130393 3 2 92 3 2 CH3CN, v8=1
56.774537 .00000 -5.7210 3 2986.8122374 41509130393 0 2 92 0 2 CH3CN, v8=1
56.776004 .00000 -5.7514 3 3001.2947374 41509130393 1 2 92 1 2 CH3CN, v8=1
56.776312 .00000 -5.8017 3 3025.4755374 41509130393-2 2 92 2 2 CH3CN, v8=1
56.776312 .00000 -5.8017 3 3025.4755374 41509130393 2 2 92-2 2 CH3CN, v8=1
56.783767 .00000 -6.3868 3 3304.6059374 41509130393 9 3 92 9 3 CH3CN, v8=1
56.801155 .00000 -6.2311 3 3230.4297374 41509130393 8 3 92 8 3 CH3CN, v8=1
56.817074 .00000 -6.0988 3 3166.0460374 41509130393-7 3 92 7 3 CH3CN, v8=1
56.817074 .00000 -6.0988 3 3166.0460374 41509130393 7 3 92-7 3 CH3CN, v8=1
56.831643 .00000 -5.9815 3 3111.4771374 41509130393 6 3 92 6 3 CH3CN, v8=1
56.844967 .00000 -5.8876 3 3066.7476374 41509130393 5 3 92 5 3 CH3CN, v8=1
56.857021 .00000 -5.8143 3 3031.8867374 41509130393-4 3 92 4 3 CH3CN, v8=1
56.857021 .00000 -5.8143 3 3031.8867374 41509130393 4 3 92-4 3 CH3CN, v8=1
56.867391 .00000 -5.7619 3 3006.9317374 41509130393 3 3 92 3 3 CH3CN, v8=1
56.874898 .00000 -5.7303 3 2991.9284374 41509130393 2 3 92 2 3 CH3CN, v8=1
56.877731 .00000 -5.7197 3 2986.9207374 41509130393-1 3 92 1 3 CH3CN, v8=1
57.324626 .00000 -6.6391 3 3432.0657378 41509130394-8 2 93 8 2 CH3CN, v8=1
57.324626 .00000 -6.6391 3 3432.0657378 41509130394 8 2 93-8 2 CH3CN, v8=1
57.339830 .00000 -6.4659 3 3349.3795378 41509130394 7 2 93 7 2 CH3CN, v8=1
57.352615 .00000 -6.3132 3 3276.4377378 41509130394 6 2 93 6 2 CH3CN, v8=1
57.362867 .00000 -6.1812 3 3213.2513378 41509130394-5 2 93 5 2 CH3CN, v8=1
57.362867 .00000 -6.1812 3 3213.2513378 41509130394 5 2 93-5 2 CH3CN, v8=1
57.366490 .00000 -6.6677 3 3445.3177378 4150913039410 3 93a0 3 CH3CN, v8=1
57.366490 .00000 -6.6677 3 3445.3177378 41509130394a0 3 9310 3 CH3CN, v8=1
57.370457 .00000 -6.0691 3 3159.8267378 41509130394 4 2 93 4 2 CH3CN, v8=1
57.375093 .00000 -5.8160 3 3038.7642378 41509130394-1 3 93 1 3 CH3CN, v8=1
57.375286 .00000 -5.9779 3 3116.1633378 41509130394 3 2 93 3 2 CH3CN, v8=1
57.375850 .00000 -5.8261 3 3043.5868378 41509130394 0 2 93 0 2 CH3CN, v8=1
57.377190 .00000 -5.8565 3 3058.0707378 41509130394 1 2 93 1 2 CH3CN, v8=1
57.377388 .00000 -5.9068 3 3082.2518378 41509130394 2 2 93-2 2 CH3CN, v8=1
57.377388 .00000 -5.9068 3 3082.2518378 41509130394-2 2 93 2 2 CH3CN, v8=1
57.385645 .00000 -6.4919 3 3361.3896378 41509130394 9 3 93 9 3 CH3CN, v8=1
57.403210 .00000 -6.3362 3 3287.2308378 41509130394 8 3 93 8 3 CH3CN, v8=1
57.419288 .00000 -6.2042 3 3222.8631378 41509130394-7 3 93 7 3 CH3CN, v8=1
57.419288 .00000 -6.2042 3 3222.8631378 41509130394 7 3 93-7 3 CH3CN, v8=1
57.433994 .00000 -6.0866 3 3168.3088378 41509130394 6 3 93 6 3 CH3CN, v8=1
57.447420 .00000 -5.9928 3 3123.5925378 41509130394 5 3 93 5 3 CH3CN, v8=1
57.459524 .00000 -5.9195 3 3088.7437378 41509130394 4 3 93-4 3 CH3CN, v8=1
57.459524 .00000 -5.9195 3 3088.7437378 41509130394-4 3 93 4 3 CH3CN, v8=1
57.469873 .00000 -5.8671 3 3063.7991378 41509130394 3 3 93 3 3 CH3CN, v8=1
57.477306 .00000 -5.8356 3 3048.8033378 41509130394 2 3 93 2 3 CH3CN, v8=1
57.480094 .00000 -5.8250 3 3043.7985378 41509130394 1 3 93-1 3 CH3CN, v8=1
57.924954 .00000 -6.7453 3 3489.3903382 41509130395-8 2 94 8 2 CH3CN, v8=1
57.924954 .00000 -6.7453 3 3489.3903382 41509130395 8 2 94-8 2 CH3CN, v8=1
57.940265 .00000 -6.5723 3 3406.7193382 41509130395 7 2 94 7 2 CH3CN, v8=1
57.953138 .00000 -6.4196 3 3333.7903382 41509130395 6 2 94 6 2 CH3CN, v8=1
57.963459 .00000 -6.2873 3 3270.6142382 41509130395-5 2 94 5 2 CH3CN, v8=1
57.963459 .00000 -6.2873 3 3270.6142382 41509130395 5 2 94-5 2 CH3CN, v8=1
57.967893 .00000 -6.7740 3 3502.6842382 4150913039510 3 94a0 3 CH3CN, v8=1
57.967893 .00000 -6.7740 3 3502.6842382 41509130395a0 3 9410 3 CH3CN, v8=1
57.971109 .00000 -6.1755 3 3217.1971382 41509130395 4 2 94 4 2 CH3CN, v8=1
57.975997 .00000 -6.0843 3 3173.5386382 41509130395 3 2 94 3 2 CH3CN, v8=1
57.976176 .00000 -5.9224 3 3096.1393382 41509130395 1 3 94-1 3 CH3CN, v8=1
57.976872 .00000 -5.9325 3 3100.9626382 41509130395 0 2 94 0 2 CH3CN, v8=1
57.978088 .00000 -5.9630 3 3115.4479382 41509130395 1 2 94 1 2 CH3CN, v8=1
57.978176 .00000 -6.0133 3 3139.6292382 41509130395-2 2 94 2 2 CH3CN, v8=1
57.978176 .00000 -6.0133 3 3139.6292382 41509130395 2 2 94-2 2 CH3CN, v8=1
58.004978 .00000 -6.4426 3 3344.6340382 41509130395 8 3 94 8 3 CH3CN, v8=1
58.021213 .00000 -6.3076 3 3280.2824382 41509130395-7 3 94 7 3 CH3CN, v8=1
58.021213 .00000 -6.3076 3 3280.2824382 41509130395 7 3 94-7 3 CH3CN, v8=1
58.036053 .00000 -6.1932 3 3225.7428382 41509130395 6 3 94 6 3 CH3CN, v8=1
58.049578 .00000 -6.0993 3 3181.0400382 41509130395 5 3 94 5 3 CH3CN, v8=1
58.061728 .00000 -6.0261 3 3146.2032382 41509130395-4 3 94 4 3 CH3CN, v8=1
58.061728 .00000 -6.0261 3 3146.2032382 41509130395 4 3 94-4 3 CH3CN, v8=1
58.072055 .00000 -5.9738 3 3121.2690382 41509130395 3 3 94 3 3 CH3CN, v8=1
58.079415 .00000 -5.9422 3 3106.2806382 41509130395 2 3 94 2 3 CH3CN, v8=1
58.082161 .00000 -5.9317 3 3101.2786382 41509130395-1 3 94 1 3 CH3CN, v8=1
58.524983 .00000 -6.8530 3 3547.3153386 41509130396-8 2 95 8 2 CH3CN, v8=1
58.524983 .00000 -6.8530 3 3547.3153386 41509130396 8 2 95-8 2 CH3CN, v8=1
58.553362 .00000 -6.5273 3 3391.7434386 41509130396 6 2 95 6 2 CH3CN, v8=1
58.563754 .00000 -6.3951 3 3328.5777386 41509130396-5 2 95 5 2 CH3CN, v8=1
58.563754 .00000 -6.3951 3 3328.5777386 41509130396 5 2 95-5 2 CH3CN, v8=1
58.569008 .00000 -6.8818 3 3560.6521386 4150913039610 3 95a0 3 CH3CN, v8=1
58.569008 .00000 -6.8818 3 3560.6521386 41509130396a0 3 9510 3 CH3CN, v8=1
58.571464 .00000 -6.2833 3 3275.1682386 41509130396 4 2 95 4 2 CH3CN, v8=1
58.576413 .00000 -6.1920 3 3231.5146386 41509130396 3 2 95 3 2 CH3CN, v8=1
58.576963 .00000 -6.0303 3 3154.1155386 41509130396-1 3 95 1 3 CH3CN, v8=1
58.577602 .00000 -6.0404 3 3158.9395386 41509130396 0 2 95 0 2 CH3CN, v8=1
58.578672 .00000 -6.1211 3 3197.6074386 41509130396 2 2 95-2 2 CH3CN, v8=1
58.578672 .00000 -6.1211 3 3197.6074386 41509130396-2 2 95 2 2 CH3CN, v8=1
58.578695 .00000 -6.0707 3 3173.4260386 41509130396 1 2 95 1 2 CH3CN, v8=1
58.606456 .00000 -6.5504 3 3402.6390386 41509130396 8 3 95 8 3 CH3CN, v8=1
58.622846 .00000 -6.4157 3 3338.3036386 41509130396-7 3 95 7 3 CH3CN, v8=1
58.622846 .00000 -6.4157 3 3338.3036386 41509130396 7 3 95-7 3 CH3CN, v8=1
58.637817 .00000 -6.3011 3 3283.7788386 41509130396 6 3 95 6 3 CH3CN, v8=1
58.651438 .00000 -6.2073 3 3239.0895386 41509130396 5 3 95 5 3 CH3CN, v8=1
58.663630 .00000 -6.1341 3 3204.2650386 41509130396 4 3 95-4 3 CH3CN, v8=1
58.663631 .00000 -6.1341 3 3204.2650386 41509130396-4 3 95 4 3 CH3CN, v8=1
58.673933 .00000 -6.0818 3 3179.3410386 41509130396 3 3 95 3 3 CH3CN, v8=1
58.681224 .00000 -6.0503 3 3164.3600386 41509130396 2 3 95 2 3 CH3CN, v8=1
58.683929 .00000 -6.0397 3 3159.3607386 41509130396 1 3 95-1 3 CH3CN, v8=1
59.163748 .00000 -6.5049 3 3387.1414390 41509130397-5 2 96 5 2 CH3CN, v8=1
59.163748 .00000 -6.5049 3 3387.1414390 41509130397 5 2 96-5 2 CH3CN, v8=1
59.171520 .00000 -6.3926 3 3333.7397390 41509130397 4 2 96 4 2 CH3CN, v8=1
59.176532 .00000 -6.3013 3 3290.0910390 41509130397 3 2 96 3 2 CH3CN, v8=1
59.177452 .00000 -6.1395 3 3212.6925390 41509130397 1 3 96-1 3 CH3CN, v8=1
59.178034 .00000 -6.1496 3 3217.5171390 41509130397 0 2 96 0 2 CH3CN, v8=1
59.178872 .00000 -6.2304 3 3256.1860390 41509130397-2 2 96 2 2 CH3CN, v8=1
59.178872 .00000 -6.2304 3 3256.1860390 41509130397 2 2 96-2 2 CH3CN, v8=1
59.179007 .00000 -6.1799 3 3232.0047390 41509130397 1 2 96 1 2 CH3CN, v8=1
59.224184 .00000 -6.5346 3 3396.9264390 41509130397-7 3 96 7 3 CH3CN, v8=1
59.224184 .00000 -6.5346 3 3396.9264390 41509130397 7 3 96-7 3 CH3CN, v8=1
59.239283 .00000 -6.4104 3 3342.4166390 41509130397 6 3 96 6 3 CH3CN, v8=1
59.252997 .00000 -6.3167 3 3297.7410390 41509130397 5 3 96 5 3 CH3CN, v8=1
59.265229 .00000 -6.2436 3 3262.9286390 41509130397-4 3 96 4 3 CH3CN, v8=1
59.265229 .00000 -6.2436 3 3262.9286390 41509130397 4 3 96-4 3 CH3CN, v8=1
59.275506 .00000 -6.1912 3 3238.0150390 41509130397 3 3 96 3 3 CH3CN, v8=1
59.282729 .00000 -6.1597 3 3223.0412390 41509130397 2 3 96 2 3 CH3CN, v8=1
59.285394 .00000 -6.1492 3 3218.0447390 41509130397-1 3 96 1 3 CH3CN, v8=1
59.763438 .00000 -6.6158 3 3446.3052394 41509130398-5 2 97 5 2 CH3CN, v8=1
59.763438 .00000 -6.6158 3 3446.3052394 41509130398 5 2 97-5 2 CH3CN, v8=1
59.771273 .00000 -6.5032 3 3392.9112394 41509130398 4 2 97 4 2 CH3CN, v8=1
59.776351 .00000 -6.4119 3 3349.2675394 41509130398 3 2 97 3 2 CH3CN, v8=1
59.777639 .00000 -6.2502 3 3271.8699394 41509130398-1 3 97 1 3 CH3CN, v8=1
59.778167 .00000 -6.2603 3 3276.6951394 41509130398 0 2 97 0 2 CH3CN, v8=1
59.778775 .00000 -6.3410 3 3315.3649394 41509130398 2 2 97-2 2 CH3CN, v8=1
59.778775 .00000 -6.3410 3 3315.3649394 41509130398-2 2 97 2 2 CH3CN, v8=1
59.779022 .00000 -6.2905 3 3291.1837394 41509130398 1 2 97 1 2 CH3CN, v8=1
59.825222 .00000 -6.6477 3 3456.1506394 41509130398-7 3 97 7 3 CH3CN, v8=1
59.825222 .00000 -6.6477 3 3456.1506394 41509130398 7 3 97-7 3 CH3CN, v8=1
59.840448 .00000 -6.5212 3 3401.6559394 41509130398 6 3 97 6 3 CH3CN, v8=1
59.854250 .00000 -6.4274 3 3356.9940394 41509130398 5 3 97 5 3 CH3CN, v8=1
59.866519 .00000 -6.3543 3 3322.1938394 41509130398 4 3 97-4 3 CH3CN, v8=1
59.866519 .00000 -6.3543 3 3322.1938394 41509130398-4 3 97 4 3 CH3CN, v8=1
59.876770 .00000 -6.3021 3 3297.2905394 41509130398 3 3 97 3 3 CH3CN, v8=1
59.883927 .00000 -6.2706 3 3282.3239394 41509130398 2 3 97 2 3 CH3CN, v8=1
59.886555 .00000 -6.2601 3 3277.3301394 41509130398 1 3 97-1 3 CH3CN, v8=1
60.362821 .00000 -6.7274 3 3506.0686398 41509130399-5 2 98 5 2 CH3CN, v8=1
60.362821 .00000 -6.7274 3 3506.0686398 41509130399 5 2 98-5 2 CH3CN, v8=1
60.375866 .00000 -6.5239 3 3409.0439398 41509130399 3 2 98 3 2 CH3CN, v8=1
60.377522 .00000 -6.3622 3 3331.6475398 41509130399 1 3 98-1 3 CH3CN, v8=1
60.377996 .00000 -6.3723 3 3336.4733398 41509130399 0 2 98 0 2 CH3CN, v8=1
60.378376 .00000 -6.4530 3 3375.1437398 41509130399-2 2 98 2 2 CH3CN, v8=1
60.378376 .00000 -6.4530 3 3375.1437398 41509130399 2 2 98-2 2 CH3CN, v8=1
60.378736 .00000 -6.4025 3 3350.9627398 41509130399 1 2 98 1 2 CH3CN, v8=1
60.425958 .00000 -6.7480 3 3515.9758398 41509130399-7 3 98 7 3 CH3CN, v8=1
60.425958 .00000 -6.7480 3 3515.9758398 41509130399 7 3 98-7 3 CH3CN, v8=1
60.455195 .00000 -6.5396 3 3416.8482398 41509130399 5 3 98 5 3 CH3CN, v8=1
60.467498 .00000 -6.4665 3 3382.0603398 41509130399-4 3 98 4 3 CH3CN, v8=1
60.467498 .00000 -6.4665 3 3382.0603398 41509130399 4 3 98-4 3 CH3CN, v8=1
60.477722 .00000 -6.4143 3 3357.1673398 41509130399 3 3 98 3 3 CH3CN, v8=1
60.484814 .00000 -6.3828 3 3342.2079398 41509130399 2 3 98 2 3 CH3CN, v8=1
60.487406 .00000 -6.3723 3 3337.2166398 41509130399-1 3 98 1 3 CH3CN, v8=1
60.961894 .00000 -6.8429 3 3566.4314402 415091303A0-5 2 99 5 2 CH3CN, v8=1
60.961894 .00000 -6.8429 3 3566.4314402 415091303A0 5 2 99-5 2 CH3CN, v8=1
60.977097 .00000 -6.4756 3 3392.0251402 415091303A0-1 3 99 1 3 CH3CN, v8=1
60.977520 .00000 -6.4857 3 3396.8513402 415091303A0 0 2 99 0 2 CH3CN, v8=1
60.977673 .00000 -6.5664 3 3435.5221402 415091303A0 2 2 99-2 2 CH3CN, v8=1
60.977673 .00000 -6.5664 3 3435.5221402 415091303A0-2 2 99 2 2 CH3CN, v8=1
60.978146 .00000 -6.5160 3 3411.3415402 415091303A0 1 2 99 1 2 CH3CN, v8=1
61.026388 .00000 -6.8611 3 3576.4018402 415091303A0-7 3 99 7 3 CH3CN, v8=1
61.026388 .00000 -6.8611 3 3576.4018402 415091303A0 7 3 99-7 3 CH3CN, v8=1
61.068162 .00000 -6.5801 3 3442.5278402 415091303A0 4 3 99-4 3 CH3CN, v8=1
61.068162 .00000 -6.5801 3 3442.5278402 415091303A0-4 3 99 4 3 CH3CN, v8=1
61.078359 .00000 -6.5279 3 3417.6450402 415091303A0 3 3 99 3 3 CH3CN, v8=1
61.085388 .00000 -6.4965 3 3402.6927402 415091303A0 2 3 99 2 3 CH3CN, v8=1
61.087946 .00000 -6.4859 3 3397.7040402 415091303A0 1 3 99-1 3 CH3CN, v8=1
61.576360 .00000 -6.5904 3 3453.0022406 415091303A1 1 3 A0-1 3 CH3CN, v8=1
61.576663 .00000 -6.6812 3 3496.4997406 415091303A1-2 2 A0 2 2 CH3CN, v8=1
61.576663 .00000 -6.6812 3 3496.4997406 415091303A1 2 2 A0-2 2 CH3CN, v8=1
61.668509 .00000 -6.6951 3 3503.5960406 415091303A1-4 3 A0 4 3 CH3CN, v8=1
61.668509 .00000 -6.6951 3 3503.5960406 415091303A1 4 3 A0-4 3 CH3CN, v8=1
61.688171 .00000 -6.6010 3 3458.7920406 415091303A1-1 3 A0 1 3 CH3CN, v8=1
62.175310 .00000 -6.7065 3 3514.5785410 415091303A2-1 3 A1 1 3 CH3CN, v8=1
62.175342 .00000 -6.7974 3 3558.0764410 415091303A2 2 2 A1-2 2 CH3CN, v8=1
62.175342 .00000 -6.7974 3 3558.0764410 415091303A2-2 2 A1 2 2 CH3CN, v8=1
62.268535 .00000 -6.8114 3 3565.2645410 415091303A2 4 3 A1-4 3 CH3CN, v8=1
62.268535 .00000 -6.8114 3 3565.2645410 415091303A2-4 3 A1 4 3 CH3CN, v8=1
62.288078 .00000 -6.7174 3 3520.4801410 415091303A2 1 3 A1-1 3 CH3CN, v8=1
62.773942 .00000 -6.8241 3 3576.7538414 415091303A3 1 3 A2-1 3 CH3CN, v8=1
62.887664 .00000 -6.8351 3 3582.7682414 415091303A3-1 3 A2 1 3 CH3CN, v8=1