@MOLECULE (2s,3r)-2,3-octadecanediol 58 57 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.4588 0.9444 1.1495 O.3 1 UNL1111111111 -0.5756 2 O 9.5473 0.4492 -0.6235 O.3 1 UNL1111111111 -0.5590 3 C -0.3830 0.4715 -0.1058 C.3 1 UNL1111111111 -0.2724 4 C 0.8804 -0.3980 -0.0942 C.3 1 UNL1111111111 -0.2736 5 C -1.6418 -0.4030 -0.0376 C.3 1 UNL1111111111 -0.2725 6 C 2.1431 0.4703 -0.1640 C.3 1 UNL1111111111 -0.2741 7 C -2.9061 0.4649 -0.0669 C.3 1 UNL1111111111 -0.2726 8 C 3.4004 -0.4077 -0.1348 C.3 1 UNL1111111111 -0.2711 9 C -4.1654 -0.4084 0.0001 C.3 1 UNL1111111111 -0.2728 10 C 4.6674 0.4551 -0.1977 C.3 1 UNL1111111111 -0.2663 11 C -5.4293 0.4602 -0.0308 C.3 1 UNL1111111111 -0.2715 12 C 5.9192 -0.4264 -0.1388 C.3 1 UNL1111111111 -0.3408 13 C -6.6888 -0.4131 0.0330 C.3 1 UNL1111111111 -0.2723 14 C 7.1967 0.4159 -0.1414 C.3 1 UNL1111111111 0.0918 15 C -7.9528 0.4555 0.0013 C.3 1 UNL1111111111 -0.2746 16 C 8.4545 -0.4289 -0.4694 C.3 1 UNL1111111111 0.1550 17 C -9.2123 -0.4176 0.0636 C.3 1 UNL1111111111 -0.2722 18 C -10.4780 0.4495 0.0304 C.3 1 UNL1111111111 -0.2510 19 C 8.7631 -1.4668 0.6044 C.3 1 UNL1111111111 -0.4930 20 C -11.7350 -0.4182 0.0927 C.3 1 UNL1111111111 -0.4398 21 H -0.4049 1.0958 -1.0181 H 1 UNL1111111111 0.1368 22 H -0.3659 1.1773 0.7453 H 1 UNL1111111111 0.1369 23 H 0.8604 -1.1049 -0.9446 H 1 UNL1111111111 0.1364 24 H 0.9005 -1.0221 0.8186 H 1 UNL1111111111 0.1371 25 H -1.6261 -1.0188 0.8808 H 1 UNL1111111111 0.1366 26 H -1.6533 -1.1174 -0.8818 H 1 UNL1111111111 0.1365 27 H 2.1578 1.1850 0.6800 H 1 UNL1111111111 0.1374 28 H 2.1295 1.0858 -1.0829 H 1 UNL1111111111 0.1373 29 H -2.8951 1.1788 0.7776 H 1 UNL1111111111 0.1366 30 H -2.9215 1.0810 -0.9854 H 1 UNL1111111111 0.1365 31 H 3.4068 -1.0270 0.7820 H 1 UNL1111111111 0.1379 32 H 3.3836 -1.1202 -0.9811 H 1 UNL1111111111 0.1381 33 H -4.1508 -1.0241 0.9182 H 1 UNL1111111111 0.1365 34 H -4.1764 -1.1230 -0.8438 H 1 UNL1111111111 0.1364 35 H 4.6666 1.0570 -1.1268 H 1 UNL1111111111 0.1408 36 H 4.6664 1.1824 0.6354 H 1 UNL1111111111 0.1315 37 H -5.4198 1.1732 0.8145 H 1 UNL1111111111 0.1364 38 H -5.4416 1.0771 -0.9493 H 1 UNL1111111111 0.1364 39 H 5.9236 -1.1303 -0.9924 H 1 UNL1111111111 0.1515 40 H 5.8991 -1.0595 0.7711 H 1 UNL1111111111 0.1590 41 H -6.6986 -1.1264 -0.8121 H 1 UNL1111111111 0.1364 42 H -6.6768 -1.0301 0.9502 H 1 UNL1111111111 0.1364 43 H 7.1288 1.2801 -0.8408 H 1 UNL1111111111 0.1317 44 H -7.9438 1.1682 0.8469 H 1 UNL1111111111 0.1363 45 H -7.9652 1.0729 -0.9161 H 1 UNL1111111111 0.1363 46 H 8.3688 -0.8869 -1.4810 H 1 UNL1111111111 0.1365 47 H -9.2016 -1.0347 0.9811 H 1 UNL1111111111 0.1364 48 H -9.2218 -1.1314 -0.7808 H 1 UNL1111111111 0.1364 49 H -10.4695 1.1637 0.8753 H 1 UNL1111111111 0.1336 50 H -10.4899 1.0664 -0.8879 H 1 UNL1111111111 0.1335 51 H 8.7536 -1.0166 1.6069 H 1 UNL1111111111 0.1689 52 H 8.0379 -2.2849 0.6021 H 1 UNL1111111111 0.1474 53 H 9.7610 -1.8959 0.4476 H 1 UNL1111111111 0.1595 54 H 6.6600 1.3578 1.5248 H 1 UNL1111111111 0.3207 55 H -11.7846 -1.1129 -0.7530 H 1 UNL1111111111 0.1423 56 H -12.6425 0.1949 0.0688 H 1 UNL1111111111 0.1401 57 H -11.7647 -1.0147 1.0114 H 1 UNL1111111111 0.1423 58 H 9.6732 0.9758 0.1955 H 1 UNL1111111111 0.3308 @BOND 1 1 14 1 2 1 54 1 3 2 16 1 4 2 58 1 5 3 4 1 6 3 5 1 7 3 21 1 8 3 22 1 9 4 6 1 10 4 23 1 11 4 24 1 12 5 7 1 13 5 25 1 14 5 26 1 15 6 8 1 16 6 27 1 17 6 28 1 18 7 9 1 19 7 29 1 20 7 30 1 21 8 10 1 22 8 31 1 23 8 32 1 24 9 11 1 25 9 33 1 26 9 34 1 27 10 12 1 28 10 35 1 29 10 36 1 30 11 13 1 31 11 37 1 32 11 38 1 33 12 14 1 34 12 39 1 35 12 40 1 36 13 15 1 37 13 41 1 38 13 42 1 39 14 16 1 40 14 43 1 41 15 17 1 42 15 44 1 43 15 45 1 44 16 19 1 45 16 46 1 46 17 18 1 47 17 47 1 48 17 48 1 49 18 20 1 50 18 49 1 51 18 50 1 52 19 51 1 53 19 52 1 54 19 53 1 55 20 55 1 56 20 56 1 57 20 57 1