@MOLECULE (2S,3R)-2-(1,1-dimethylbutyl)-3-isopentyl-oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.5204 -0.5150 -0.3972 C.3 1 UNL11111111 -0.0558 2 C 5.0091 -0.2702 -0.1175 C.3 1 UNL11111111 -0.4580 3 C 3.1627 -1.9698 -0.0699 C.3 1 UNL11111111 -0.4533 4 C 2.6701 0.4654 0.4342 C.3 1 UNL11111111 -0.2830 5 C 1.2220 0.5114 -0.0688 C.3 1 UNL11111111 -0.2989 6 C 0.3847 1.4640 0.7423 C.3 1 UNL11111111 0.0061 7 H 0.8748 1.8501 1.6455 H 1 UNL11111111 0.1469 8 O -0.3151 2.4775 0.0095 O.3 1 UNL11111111 -0.3592 9 C -1.1110 1.5076 0.6933 C.3 1 UNL11111111 -0.0336 10 H -1.6236 1.9198 1.5743 H 1 UNL11111111 0.1454 11 C -2.0141 0.6060 -0.1452 C.3 1 UNL11111111 0.0873 12 C -3.4304 1.2117 -0.0957 C.3 1 UNL11111111 -0.4624 13 C -1.5628 0.5430 -1.6078 C.3 1 UNL11111111 -0.4570 14 C -2.0054 -0.7893 0.5205 C.3 1 UNL11111111 -0.2965 15 C -2.7889 -1.8445 -0.2691 C.3 1 UNL11111111 -0.2424 16 C -2.8096 -3.1754 0.4840 C.3 1 UNL11111111 -0.4417 17 H 3.3269 -0.3318 -1.4819 H 1 UNL11111111 0.1308 18 H 5.6391 -0.9625 -0.6859 H 1 UNL11111111 0.1418 19 H 5.3069 0.7466 -0.3953 H 1 UNL11111111 0.1435 20 H 5.2458 -0.4075 0.9426 H 1 UNL11111111 0.1436 21 H 3.3252 -2.1942 0.9896 H 1 UNL11111111 0.1436 22 H 2.1141 -2.1884 -0.2971 H 1 UNL11111111 0.1420 23 H 3.7757 -2.6674 -0.6505 H 1 UNL11111111 0.1406 24 H 2.7000 0.1772 1.5007 H 1 UNL11111111 0.1390 25 H 3.1122 1.4791 0.3802 H 1 UNL11111111 0.1428 26 H 1.2060 0.8199 -1.1363 H 1 UNL11111111 0.1641 27 H 0.7818 -0.5060 -0.0394 H 1 UNL11111111 0.1516 28 H -3.8270 1.2395 0.9236 H 1 UNL11111111 0.1426 29 H -3.4289 2.2373 -0.4842 H 1 UNL11111111 0.1542 30 H -4.1338 0.6332 -0.7033 H 1 UNL11111111 0.1475 31 H -0.7070 -0.1234 -1.7474 H 1 UNL11111111 0.1447 32 H -2.3652 0.1824 -2.2601 H 1 UNL11111111 0.1444 33 H -1.2694 1.5385 -1.9698 H 1 UNL11111111 0.1650 34 H -0.9612 -1.1327 0.6520 H 1 UNL11111111 0.1400 35 H -2.4210 -0.7080 1.5429 H 1 UNL11111111 0.1400 36 H -3.8238 -1.4979 -0.4483 H 1 UNL11111111 0.1352 37 H -2.3387 -1.9859 -1.2698 H 1 UNL11111111 0.1364 38 H -1.7964 -3.5449 0.6760 H 1 UNL11111111 0.1424 39 H -3.3159 -3.0802 1.4507 H 1 UNL11111111 0.1412 40 H -3.3382 -3.9453 -0.0882 H 1 UNL11111111 0.1389 @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 12 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 13 33 1 34 14 34 1 35 14 35 1 36 15 36 1 37 15 37 1 38 16 38 1 39 16 39 1 40 16 40 1