@MOLECULE (2S,3R)-2-isopentyl-3-[(1R)-1-methylbutyl]oxirane 37 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.1999 0.8404 0.4231 C.3 1 UNL111 -0.0553 2 C -3.9004 1.8363 -0.5108 C.3 1 UNL111 -0.4582 3 C -4.2435 0.0729 1.2423 C.3 1 UNL111 -0.4535 4 C -2.3311 -0.1196 -0.4111 C.3 1 UNL111 -0.2829 5 C -1.4083 -0.9636 0.4744 C.3 1 UNL111 -0.2960 6 C -0.4600 -1.7617 -0.3818 C.3 1 UNL111 0.0048 7 H -0.9409 -2.5376 -0.9887 H 1 UNL111 0.1458 8 O 0.7389 -2.2001 0.2654 O.3 1 UNL111 -0.3633 9 C 0.8831 -1.2541 -0.8003 C.3 1 UNL111 -0.0135 10 H 1.3480 -1.6750 -1.6990 H 1 UNL111 0.1470 11 C 1.4161 0.1069 -0.4030 C.3 1 UNL111 -0.1059 12 H 0.8906 0.4675 0.5155 H 1 UNL111 0.1491 13 C 1.1668 1.0950 -1.5457 C.3 1 UNL111 -0.4486 14 C 2.9167 -0.0325 -0.0864 C.3 1 UNL111 -0.2830 15 C 3.4588 1.2036 0.6412 C.3 1 UNL111 -0.2474 16 C 4.9332 1.0164 0.9996 C.3 1 UNL111 -0.4388 17 H -2.5404 1.4094 1.1219 H 1 UNL111 0.1301 18 H -4.5203 2.5405 0.0541 H 1 UNL111 0.1427 19 H -3.1770 2.4240 -1.0852 H 1 UNL111 0.1412 20 H -4.5540 1.3244 -1.2247 H 1 UNL111 0.1442 21 H -3.7709 -0.6036 1.9623 H 1 UNL111 0.1443 22 H -4.8844 0.7570 1.8088 H 1 UNL111 0.1412 23 H -4.8940 -0.5297 0.5998 H 1 UNL111 0.1441 24 H -2.9745 -0.7753 -1.0260 H 1 UNL111 0.1403 25 H -1.7234 0.4642 -1.1300 H 1 UNL111 0.1401 26 H -0.8544 -0.3211 1.1879 H 1 UNL111 0.1559 27 H -2.0015 -1.6514 1.1110 H 1 UNL111 0.1538 28 H 0.0992 1.1699 -1.7817 H 1 UNL111 0.1444 29 H 1.5155 2.1000 -1.2825 H 1 UNL111 0.1477 30 H 1.6903 0.7973 -2.4607 H 1 UNL111 0.1461 31 H 3.0731 -0.9326 0.5432 H 1 UNL111 0.1524 32 H 3.4896 -0.2113 -1.0138 H 1 UNL111 0.1384 33 H 3.3352 2.1028 0.0091 H 1 UNL111 0.1321 34 H 2.8689 1.3912 1.5586 H 1 UNL111 0.1346 35 H 5.0790 0.1462 1.6501 H 1 UNL111 0.1457 36 H 5.5471 0.8651 0.1049 H 1 UNL111 0.1414 37 H 5.3285 1.8916 1.5264 H 1 UNL111 0.1390 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 9 10 1 10 6 9 1 11 9 11 1 12 11 12 1 13 11 13 1 14 11 14 1 15 14 15 1 16 15 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 3 23 1 24 4 24 1 25 4 25 1 26 5 26 1 27 5 27 1 28 13 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 16 36 1 37 16 37 1