@MOLECULE (2R,3R)-2-isohexyl-3-isopropyl-oxirane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.6537 0.1794 -0.3766 C.3 1 UNL11111111 -0.0886 2 C -4.9162 -0.2239 0.3922 C.3 1 UNL11111111 -0.4487 3 C -3.6380 1.6881 -0.6406 C.3 1 UNL11111111 -0.4499 4 C -2.4280 -0.2027 0.4269 C.3 1 UNL11111111 -0.0160 5 H -2.4925 -0.0004 1.4994 H 1 UNL11111111 0.1499 6 O -1.8568 -1.4759 0.1097 O.3 1 UNL11111111 -0.3648 7 C -1.0881 -0.3134 -0.2252 C.3 1 UNL11111111 0.0049 8 H -0.9892 -0.1482 -1.3010 H 1 UNL11111111 0.1511 9 C 0.1582 -0.1092 0.5987 C.3 1 UNL11111111 -0.3028 10 C 1.4045 0.0240 -0.2848 C.3 1 UNL11111111 -0.2637 11 C 2.6557 0.1939 0.5856 C.3 1 UNL11111111 -0.2870 12 C 3.9281 0.3793 -0.2631 C.3 1 UNL11111111 -0.0592 13 C 5.0832 0.8356 0.6392 C.3 1 UNL11111111 -0.4591 14 C 4.3122 -0.9223 -0.9759 C.3 1 UNL11111111 -0.4529 15 H -3.6391 -0.3658 -1.3543 H 1 UNL11111111 0.1498 16 H -5.8196 -0.0214 -0.1930 H 1 UNL11111111 0.1454 17 H -4.9068 -1.2960 0.6263 H 1 UNL11111111 0.1533 18 H -5.0076 0.3197 1.3388 H 1 UNL11111111 0.1442 19 H -3.6548 2.2609 0.2932 H 1 UNL11111111 0.1465 20 H -2.7422 1.9885 -1.1953 H 1 UNL11111111 0.1447 21 H -4.5105 1.9944 -1.2283 H 1 UNL11111111 0.1470 22 H 0.0502 0.7888 1.2384 H 1 UNL11111111 0.1475 23 H 0.2815 -0.9628 1.3000 H 1 UNL11111111 0.1648 24 H 1.5073 -0.8704 -0.9288 H 1 UNL11111111 0.1446 25 H 1.2981 0.8851 -0.9701 H 1 UNL11111111 0.1354 26 H 2.5277 1.0668 1.2535 H 1 UNL11111111 0.1357 27 H 2.7743 -0.6797 1.2530 H 1 UNL11111111 0.1412 28 H 3.7397 1.1685 -1.0300 H 1 UNL11111111 0.1275 29 H 5.2986 0.0959 1.4176 H 1 UNL11111111 0.1456 30 H 6.0027 0.9826 0.0628 H 1 UNL11111111 0.1430 31 H 4.8526 1.7832 1.1361 H 1 UNL11111111 0.1404 32 H 4.4465 -1.7446 -0.2649 H 1 UNL11111111 0.1459 33 H 3.5429 -1.2279 -1.6930 H 1 UNL11111111 0.1435 34 H 5.2506 -0.8093 -1.5288 H 1 UNL11111111 0.1405 @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