aGg'-1,2-Propanediol Mon May 22 14:57:34 2017 14 817 3 0 0.0000E+000 1.0000E+003 1.0000E+000 1.0000000000 s 1 1 0 125 0 1 1 1 0 1 0 10099 6.634762363048621E+003 2.81621775E-004 /A 20099 4.160628510755713E+003 1.36498188E-004 /B 30099 3.377911550393631E+003 1.06293429E-004 /C 2099 7.464886852219833E-003 2.42995427E-006 /-DK 1199 -9.244437268605609E-003 7.86754371E-007 /-DJK 299 -1.577264974826540E-003 8.03530825E-008 /-DJ 40199 -2.360816277672510E-004 4.88219329E-008 /d1 50099 -7.440813134561900E-005 2.71657580E-008 /d2 2199 1.367792908094225E-007 2.85565789E-009 /HKJ 1299 -4.327816970302372E-008 5.58702840E-010 /HJK 399 -7.746411651507529E-010 2.59483171E-011 /HJ 40299 -1.914908750369367E-010 1.39109303E-011 /h1 50199 2.001843066769321E-010 1.21115889E-011 /h2 60099 1.910187137434982E-010 3.89401990E-012 /h3 0.5045743 0.1354847 0.2967824-0.0774656 0.0241261 0.2560189-0.6262988-0.0763007 -0.0449433 0.3679471 0.1155226 0.1511593 0.2463362 0.3369649-0.3231624-0.0300078 -0.2844480-0.4886263 0.0545656-0.0751643 0.1783336-0.1208022 0.3693436-0.0878046 -0.0840383 0.1856168-0.2031217-0.2108340-0.1651801-0.2303979 0.1358729-0.1881668 0.3093303-0.0843300 0.0902554 0.3400508-0.4484776-0.1988401-0.1529059 0.2781746 0.4249692 0.1901720 0.1487695-0.0477633-0.4665994-0.0104100-0.1260086-0.4982430 -0.3894884 0.2564618 0.3797644-0.0220321-0.3242523 0.3785807-0.4987934 0.0128445 0.2407626 0.4372225-0.1463338 0.2831942-0.4759342 0.1398813-0.1562677 0.0796377 -0.2547221 0.4878382-0.1229220 0.5566801-0.1432199-0.1035487 0.4132403-0.7105583 -0.8152411 0.0943898-0.0412752-0.2280761 0.7826384 0.9452326-0.1075176 0.3720802 -0.1981574 0.6260255-0.4101841-0.0632745-0.3679013-0.5905486-0.6495071 0.7953845 -0.3425944 0.2999983 0.7896615 0.2111837 0.2248113-0.2902722-0.2291219-0.3069015 0.0634866-0.3244210-0.6283851 0.4572269-0.0408249-0.1792208 0.1285939 0.6135427 1.0000000