@MOLECULE (2S,3R)-2-(1,1-dimethylpropyl)-3-propyl-oxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.9620 1.2406 -0.3599 C.3 1 UNL11111111 -0.4385 2 C -3.2032 0.1135 0.3396 C.3 1 UNL11111111 -0.2443 3 C -1.7206 0.1325 -0.0579 C.3 1 UNL11111111 -0.2980 4 C -0.9593 -0.9757 0.6188 C.3 1 UNL11111111 0.0026 5 H -1.4923 -1.4546 1.4510 H 1 UNL11111111 0.1467 6 O -0.3076 -1.9171 -0.2433 O.3 1 UNL11111111 -0.3576 7 C 0.5306 -1.1124 0.5877 C.3 1 UNL11111111 -0.0363 8 H 0.9904 -1.6826 1.4086 H 1 UNL11111111 0.1460 9 C 1.5174 -0.1648 -0.0894 C.3 1 UNL11111111 0.0903 10 C 2.8764 -0.8895 -0.1322 C.3 1 UNL11111111 -0.4605 11 C 1.1010 0.1802 -1.5225 C.3 1 UNL11111111 -0.4570 12 C 1.6054 1.0994 0.7976 C.3 1 UNL11111111 -0.2746 13 C 2.5604 2.1590 0.2518 C.3 1 UNL11111111 -0.4311 14 H -5.0205 1.2404 -0.0772 H 1 UNL11111111 0.1410 15 H -3.5529 2.2232 -0.0999 H 1 UNL11111111 0.1419 16 H -3.9142 1.1404 -1.4503 H 1 UNL11111111 0.1449 17 H -3.3062 0.2133 1.4364 H 1 UNL11111111 0.1333 18 H -3.6512 -0.8649 0.0777 H 1 UNL11111111 0.1409 19 H -1.6307 0.0286 -1.1606 H 1 UNL11111111 0.1651 20 H -1.2769 1.1167 0.1921 H 1 UNL11111111 0.1491 21 H 3.2561 -1.1053 0.8710 H 1 UNL11111111 0.1420 22 H 2.7925 -1.8404 -0.6724 H 1 UNL11111111 0.1536 23 H 3.6332 -0.2874 -0.6450 H 1 UNL11111111 0.1482 24 H 0.3163 0.9413 -1.5524 H 1 UNL11111111 0.1431 25 H 1.9460 0.5651 -2.1037 H 1 UNL11111111 0.1462 26 H 0.7221 -0.7099 -2.0443 H 1 UNL11111111 0.1638 27 H 0.5951 1.5389 0.9106 H 1 UNL11111111 0.1364 28 H 1.9206 0.8079 1.8182 H 1 UNL11111111 0.1365 29 H 2.6036 3.0284 0.9175 H 1 UNL11111111 0.1378 30 H 3.5801 1.7706 0.1532 H 1 UNL11111111 0.1435 31 H 2.2464 2.5152 -0.7358 H 1 UNL11111111 0.1447 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 6 7 1 7 7 8 1 8 4 7 1 9 7 9 1 10 9 10 1 11 9 11 1 12 9 12 1 13 12 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 10 21 1 22 10 22 1 23 10 23 1 24 11 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1