@MOLECULE (2R,3S)-2-isohexyl-3-[(1S)-1-methylbutyl]oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.2771 -0.5385 0.1167 C.3 1 UNL11111111 -0.0579 2 C -5.4951 -0.6278 -0.8122 C.3 1 UNL11111111 -0.4585 3 C -3.8918 -1.9405 0.6039 C.3 1 UNL11111111 -0.4532 4 C -3.0994 0.1257 -0.6239 C.3 1 UNL11111111 -0.2899 5 C -2.0594 0.6682 0.3623 C.3 1 UNL11111111 -0.2620 6 C -0.8117 1.1695 -0.3781 C.3 1 UNL11111111 -0.2960 7 C 0.1686 1.7303 0.6190 C.3 1 UNL11111111 0.0032 8 H -0.1613 2.6591 1.1000 H 1 UNL11111111 0.1454 9 O 0.7402 0.7912 1.5373 O.3 1 UNL11111111 -0.3599 10 C 1.6297 1.4121 0.6042 C.3 1 UNL11111111 -0.0154 11 H 2.3272 2.1204 1.0652 H 1 UNL11111111 0.1469 12 C 2.2646 0.4829 -0.4097 C.3 1 UNL11111111 -0.1078 13 H 1.4958 -0.2245 -0.8098 H 1 UNL11111111 0.1492 14 C 2.8323 1.3168 -1.5612 C.3 1 UNL11111111 -0.4495 15 C 3.3563 -0.3401 0.2987 C.3 1 UNL11111111 -0.2821 16 C 3.8160 -1.5260 -0.5581 C.3 1 UNL11111111 -0.2472 17 C 4.8261 -2.3842 0.2043 C.3 1 UNL11111111 -0.4386 18 H -4.5485 0.0880 1.0002 H 1 UNL11111111 0.1299 19 H -6.3333 -1.1306 -0.3181 H 1 UNL11111111 0.1432 20 H -5.8405 0.3655 -1.1153 H 1 UNL11111111 0.1397 21 H -5.2643 -1.1918 -1.7217 H 1 UNL11111111 0.1435 22 H -3.0025 -1.9112 1.2437 H 1 UNL11111111 0.1470 23 H -4.7011 -2.3949 1.1847 H 1 UNL11111111 0.1408 24 H -3.6704 -2.6095 -0.2345 H 1 UNL11111111 0.1433 25 H -2.6346 -0.6011 -1.3147 H 1 UNL11111111 0.1395 26 H -3.4717 0.9494 -1.2609 H 1 UNL11111111 0.1347 27 H -2.4983 1.4819 0.9690 H 1 UNL11111111 0.1366 28 H -1.7635 -0.1188 1.0856 H 1 UNL11111111 0.1537 29 H -0.3664 0.3380 -0.9600 H 1 UNL11111111 0.1522 30 H -1.0828 1.9448 -1.1204 H 1 UNL11111111 0.1460 31 H 3.6221 1.9950 -1.2198 H 1 UNL11111111 0.1465 32 H 3.2664 0.6765 -2.3372 H 1 UNL11111111 0.1476 33 H 2.0529 1.9258 -2.0332 H 1 UNL11111111 0.1452 34 H 4.2178 0.3023 0.5533 H 1 UNL11111111 0.1382 35 H 2.9591 -0.7124 1.2657 H 1 UNL11111111 0.1527 36 H 2.9445 -2.1417 -0.8515 H 1 UNL11111111 0.1349 37 H 4.2642 -1.1630 -1.5017 H 1 UNL11111111 0.1319 38 H 5.7057 -1.8012 0.4987 H 1 UNL11111111 0.1415 39 H 4.3870 -2.8013 1.1180 H 1 UNL11111111 0.1456 40 H 5.1750 -3.2240 -0.4062 H 1 UNL11111111 0.1391 @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