@MOLECULE (2S,3S)-2-isohexyl-3-[(1S)-1-methylbutyl]oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.8845 0.1061 -0.3367 C.3 1 UNL11111111 -0.0586 2 C -6.1523 -0.4935 0.2867 C.3 1 UNL11111111 -0.4590 3 C -4.9466 1.6366 -0.2676 C.3 1 UNL11111111 -0.4548 4 C -3.6449 -0.4353 0.4007 C.3 1 UNL11111111 -0.2866 5 C -2.3465 -0.1089 -0.3471 C.3 1 UNL11111111 -0.2650 6 C -1.1468 -0.7501 0.3607 C.3 1 UNL11111111 -0.3025 7 C 0.1431 -0.4387 -0.3559 C.3 1 UNL11111111 0.0087 8 H 0.0467 0.0862 -1.3107 H 1 UNL11111111 0.1508 9 O 1.0943 -1.5111 -0.3876 O.3 1 UNL11111111 -0.3669 10 C 1.4283 -0.3657 0.4027 C.3 1 UNL11111111 -0.0155 11 H 1.4402 -0.5572 1.4790 H 1 UNL11111111 0.1499 12 C 2.5816 0.4675 -0.1182 C.3 1 UNL11111111 -0.1118 13 H 2.5516 0.4868 -1.2362 H 1 UNL11111111 0.1493 14 C 2.4372 1.8949 0.4170 C.3 1 UNL11111111 -0.4482 15 C 3.9044 -0.1818 0.3258 C.3 1 UNL11111111 -0.2812 16 C 5.1048 0.4046 -0.4272 C.3 1 UNL11111111 -0.2473 17 C 6.4021 -0.2735 0.0138 C.3 1 UNL11111111 -0.4392 18 H -4.8316 -0.2045 -1.4081 H 1 UNL11111111 0.1300 19 H -7.0530 -0.1314 -0.2203 H 1 UNL11111111 0.1432 20 H -6.1537 -1.5864 0.2174 H 1 UNL11111111 0.1427 21 H -6.2422 -0.2278 1.3453 H 1 UNL11111111 0.1443 22 H -4.0784 2.0946 -0.7528 H 1 UNL11111111 0.1421 23 H -5.8430 2.0197 -0.7668 H 1 UNL11111111 0.1411 24 H -4.9707 1.9905 0.7683 H 1 UNL11111111 0.1436 25 H -3.6081 -0.0234 1.4256 H 1 UNL11111111 0.1383 26 H -3.7383 -1.5320 0.5200 H 1 UNL11111111 0.1393 27 H -2.4096 -0.4701 -1.3913 H 1 UNL11111111 0.1409 28 H -2.2089 0.9870 -0.4092 H 1 UNL11111111 0.1380 29 H -1.1024 -0.4082 1.4132 H 1 UNL11111111 0.1481 30 H -1.2787 -1.8525 0.4136 H 1 UNL11111111 0.1648 31 H 2.4993 1.9251 1.5105 H 1 UNL11111111 0.1464 32 H 3.2275 2.5464 0.0276 H 1 UNL11111111 0.1472 33 H 1.4756 2.3335 0.1270 H 1 UNL11111111 0.1455 34 H 4.0438 -0.0625 1.4153 H 1 UNL11111111 0.1382 35 H 3.8515 -1.2750 0.1445 H 1 UNL11111111 0.1506 36 H 4.9656 0.2796 -1.5178 H 1 UNL11111111 0.1352 37 H 5.1704 1.4947 -0.2514 H 1 UNL11111111 0.1322 38 H 6.5737 -0.1498 1.0889 H 1 UNL11111111 0.1414 39 H 6.3819 -1.3495 -0.1951 H 1 UNL11111111 0.1455 40 H 7.2675 0.1472 -0.5095 H 1 UNL11111111 0.1393 @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 7 8 1 8 7 9 1 9 9 10 1 10 10 11 1 11 7 10 1 12 10 12 1 13 12 13 1 14 12 14 1 15 12 15 1 16 15 16 1 17 16 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 3 24 1 25 4 25 1 26 4 26 1 27 5 27 1 28 5 28 1 29 6 29 1 30 6 30 1 31 14 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 17 38 1 39 17 39 1 40 17 40 1