@MOLECULE (2r)-2,3-dihydroxypropyl hexanoate 31 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8265 -0.1396 -0.1465 O.3 1 UNL1111111111 -0.7454 2 O 3.6629 -0.0288 1.3949 O.3 1 UNL1111111111 -0.4615 3 O -0.3538 1.7651 -0.0284 O.2 1 UNL1111111111 -0.6921 4 O 5.5068 -0.6684 -0.3171 O.3 1 UNL1111111111 -0.3477 5 C -2.7942 0.3212 -0.1662 C.3 1 UNL1111111111 -0.3138 6 C -3.9867 -0.6003 0.1098 C.3 1 UNL1111111111 -0.5298 7 C -1.4746 -0.3915 0.1440 C.3 1 UNL1111111111 -0.8503 8 C -5.3066 0.1304 -0.1735 C.3 1 UNL1111111111 -0.0707 9 C 3.1415 -0.3610 0.1307 C.3 1 UNL1111111111 -0.4358 10 C 2.0290 0.6272 -0.2457 C.3 1 UNL1111111111 0.6861 11 C -0.3320 0.5628 -0.0144 C.2 1 UNL1111111111 1.0697 12 C -6.5020 -0.7882 0.0772 C.3 1 UNL1111111111 -0.7234 13 C 4.2668 -0.3787 -0.9212 C.3 1 UNL1111111111 -0.3714 14 H -2.8757 1.2481 0.4394 H 1 UNL1111111111 0.1539 15 H -2.8061 0.6607 -1.2204 H 1 UNL1111111111 0.2930 16 H -3.9690 -0.9467 1.1603 H 1 UNL1111111111 0.2522 17 H -3.9194 -1.5120 -0.5124 H 1 UNL1111111111 0.2143 18 H -1.4750 -0.7878 1.1837 H 1 UNL1111111111 0.2889 19 H -1.3404 -1.2805 -0.5076 H 1 UNL1111111111 0.3387 20 H -5.3839 1.0332 0.4625 H 1 UNL1111111111 0.1497 21 H -5.3229 0.4949 -1.2182 H 1 UNL1111111111 0.0900 22 H 2.7167 -1.3798 0.3104 H 1 UNL1111111111 0.3228 23 H 2.0886 1.0045 -1.2797 H 1 UNL1111111111 -0.0306 24 H 1.9943 1.4840 0.4561 H 1 UNL1111111111 0.0292 25 H -6.4730 -1.6714 -0.5704 H 1 UNL1111111111 0.2232 26 H -6.5278 -1.1404 1.1145 H 1 UNL1111111111 0.1990 27 H -7.4483 -0.2704 -0.1167 H 1 UNL1111111111 0.1948 28 H 4.4456 0.6108 -1.3837 H 1 UNL1111111111 0.2517 29 H 4.0741 -1.1211 -1.7163 H 1 UNL1111111111 0.1888 30 H 4.3448 0.6764 1.3287 H 1 UNL1111111111 0.3626 31 H 5.4105 -1.3745 0.3600 H 1 UNL1111111111 0.2637 @BOND 1 1 10 1 2 1 11 1 3 2 9 1 4 2 30 1 5 3 11 2 6 4 13 1 7 4 31 1 8 5 6 1 9 5 7 1 10 5 14 1 11 5 15 1 12 6 8 1 13 6 16 1 14 6 17 1 15 7 11 1 16 7 18 1 17 7 19 1 18 8 12 1 19 8 20 1 20 8 21 1 21 9 10 1 22 9 13 1 23 9 22 1 24 10 23 1 25 10 24 1 26 12 25 1 27 12 26 1 28 12 27 1 29 13 28 1 30 13 29 1