@MOLECULE (2R,3R)-2-isohexyl-3-[(1R,2R)-2-methylcyclopropyl]oxirane 35 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.4134 -0.1461 -0.3604 C.3 1 UNL11111111111 -0.0587 2 C -5.5810 -0.9967 0.1578 C.3 1 UNL11111111111 -0.4591 3 C -4.7440 1.3422 -0.1982 C.3 1 UNL11111111111 -0.4530 4 C -3.1258 -0.5133 0.4025 C.3 1 UNL11111111111 -0.2890 5 C -1.8779 0.0237 -0.3078 C.3 1 UNL11111111111 -0.2617 6 C -0.6061 -0.4017 0.4374 C.3 1 UNL11111111111 -0.2998 7 C 0.6197 0.0969 -0.2825 C.3 1 UNL11111111111 0.0089 8 H 0.6101 -0.0174 -1.3707 H 1 UNL11111111111 0.1532 9 O 1.1343 1.3566 0.1618 O.3 1 UNL11111111111 -0.3516 10 C 1.9263 0.1959 0.4404 C.3 1 UNL11111111111 0.0000 11 H 1.9830 -0.0520 1.5049 H 1 UNL11111111111 0.1530 12 C 3.1992 0.1017 -0.3228 C.3 1 UNL11111111111 -0.1996 13 H 3.2778 0.8637 -1.1103 H 1 UNL11111111111 0.1763 14 C 3.8004 -1.2653 -0.5766 C.3 1 UNL11111111111 -0.3382 15 C 4.4733 -0.3195 0.3944 C.3 1 UNL11111111111 -0.1200 16 H 4.4087 -0.5526 1.4639 H 1 UNL11111111111 0.1518 17 C 5.7747 0.3373 0.0242 C.3 1 UNL11111111111 -0.4346 18 H -4.2660 -0.3668 -1.4449 H 1 UNL11111111111 0.1284 19 H -6.5106 -0.7550 -0.3686 H 1 UNL11111111111 0.1432 20 H -5.3918 -2.0655 0.0158 H 1 UNL11111111111 0.1399 21 H -5.7556 -0.8287 1.2257 H 1 UNL11111111111 0.1448 22 H -3.9335 1.9763 -0.5741 H 1 UNL11111111111 0.1455 23 H -5.6525 1.6089 -0.7483 H 1 UNL11111111111 0.1407 24 H -4.9057 1.6044 0.8530 H 1 UNL11111111111 0.1448 25 H -3.1765 -0.1207 1.4345 H 1 UNL11111111111 0.1404 26 H -3.0536 -1.6127 0.5017 H 1 UNL11111111111 0.1352 27 H -1.8500 -0.3393 -1.3521 H 1 UNL11111111111 0.1360 28 H -1.9185 1.1292 -0.3703 H 1 UNL11111111111 0.1488 29 H -0.6332 -0.0089 1.4746 H 1 UNL11111111111 0.1577 30 H -0.5627 -1.5050 0.5285 H 1 UNL11111111111 0.1484 31 H 3.2984 -2.1526 -0.2036 H 1 UNL11111111111 0.1571 32 H 4.2618 -1.4761 -1.5362 H 1 UNL11111111111 0.1590 33 H 5.8519 0.5434 -1.0504 H 1 UNL11111111111 0.1487 34 H 5.8933 1.2969 0.5466 H 1 UNL11111111111 0.1540 35 H 6.6295 -0.2960 0.2954 H 1 UNL11111111111 0.1495 @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 14 15 1 16 15 16 1 17 12 15 1 18 15 17 1 19 1 18 1 20 2 19 1 21 2 20 1 22 2 21 1 23 3 22 1 24 3 23 1 25 3 24 1 26 4 25 1 27 4 26 1 28 5 27 1 29 5 28 1 30 6 29 1 31 6 30 1 32 14 31 1 33 14 32 1 34 17 33 1 35 17 34 1 36 17 35 1