@MOLECULE (2S,3R)-2-isohexyl-3-isopropyl-oxirane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0339 0.6020 -0.2249 C.3 1 UNL11111111 -0.0858 2 C -4.2876 0.4968 -1.0989 C.3 1 UNL11111111 -0.4494 3 C -3.3248 1.4000 1.0493 C.3 1 UNL11111111 -0.4510 4 C -2.5580 -0.7871 0.1474 C.3 1 UNL11111111 -0.0139 5 H -3.3534 -1.4759 0.4508 H 1 UNL11111111 0.1474 6 O -1.5997 -1.3666 -0.7434 O.3 1 UNL11111111 -0.3592 7 C -1.1559 -1.0691 0.5853 C.3 1 UNL11111111 0.0006 8 H -0.9608 -1.9650 1.1867 H 1 UNL11111111 0.1461 9 C -0.1067 0.0045 0.7127 C.3 1 UNL11111111 -0.2975 10 C 1.2270 -0.5064 0.1506 C.3 1 UNL11111111 -0.2616 11 C 2.3008 0.5839 0.2353 C.3 1 UNL11111111 -0.2886 12 C 3.6066 0.1509 -0.4583 C.3 1 UNL11111111 -0.0570 13 C 4.5347 1.3640 -0.6094 C.3 1 UNL11111111 -0.4584 14 C 4.3177 -0.9509 0.3358 C.3 1 UNL11111111 -0.4538 15 H -2.2363 1.1206 -0.8154 H 1 UNL11111111 0.1500 16 H -4.6211 1.4849 -1.4333 H 1 UNL11111111 0.1456 17 H -4.0912 -0.1067 -1.9941 H 1 UNL11111111 0.1538 18 H -5.1207 0.0314 -0.5623 H 1 UNL11111111 0.1444 19 H -4.1157 0.9319 1.6457 H 1 UNL11111111 0.1470 20 H -2.4350 1.4775 1.6838 H 1 UNL11111111 0.1452 21 H -3.6523 2.4182 0.8120 H 1 UNL11111111 0.1469 22 H -0.4068 0.9249 0.1735 H 1 UNL11111111 0.1529 23 H 0.0059 0.2982 1.7744 H 1 UNL11111111 0.1462 24 H 1.5520 -1.4096 0.6988 H 1 UNL11111111 0.1382 25 H 1.0849 -0.8255 -0.9016 H 1 UNL11111111 0.1517 26 H 1.9261 1.5129 -0.2358 H 1 UNL11111111 0.1374 27 H 2.5019 0.8404 1.2909 H 1 UNL11111111 0.1364 28 H 3.3612 -0.2398 -1.4757 H 1 UNL11111111 0.1322 29 H 4.7748 1.8077 0.3623 H 1 UNL11111111 0.1427 30 H 5.4802 1.0825 -1.0849 H 1 UNL11111111 0.1430 31 H 4.0761 2.1435 -1.2267 H 1 UNL11111111 0.1416 32 H 4.5615 -0.6204 1.3504 H 1 UNL11111111 0.1421 33 H 3.6952 -1.8480 0.4208 H 1 UNL11111111 0.1436 34 H 5.2541 -1.2466 -0.1490 H 1 UNL11111111 0.1412 @BOND 1 1 2 1 2 1 3 1 3 1 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 10 11 1 12 11 12 1 13 12 13 1 14 12 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 9 22 1 23 9 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 14 34 1