@MOLECULE (2R,3S)-2-(3,3-dimethylcyclobutyl)-3-isohexyl-oxirane 41 42 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.2554 0.8278 -0.2376 C.3 1 UNL11111111 -0.3062 2 C -3.7991 0.7286 -0.0226 C.3 1 UNL11111111 0.1083 3 C -4.4122 1.9817 0.5807 C.3 1 UNL11111111 -0.4645 4 C -4.5606 0.2821 -1.2586 C.3 1 UNL11111111 -0.4645 5 C -3.5638 -0.4153 1.0165 C.3 1 UNL11111111 -0.3171 6 C -2.0258 -0.2865 0.8214 C.3 1 UNL11111111 -0.1411 7 C -1.3531 -1.5329 0.3270 C.3 1 UNL11111111 -0.0133 8 H -1.8445 -2.4657 0.6276 H 1 UNL11111111 0.1494 9 O -0.9026 -1.5443 -1.0315 O.3 1 UNL11111111 -0.3580 10 C 0.1043 -1.5593 -0.0130 C.3 1 UNL11111111 0.0050 11 H 0.6477 -2.5079 0.0484 H 1 UNL11111111 0.1486 12 C 0.9501 -0.3169 0.0972 C.3 1 UNL11111111 -0.2971 13 C 2.4193 -0.6139 -0.2266 C.3 1 UNL11111111 -0.2651 14 C 3.2735 0.6484 -0.0558 C.3 1 UNL11111111 -0.2873 15 C 4.7707 0.3531 -0.2691 C.3 1 UNL11111111 -0.0586 16 C 5.5282 1.6669 -0.5049 C.3 1 UNL11111111 -0.4588 17 C 5.3653 -0.3788 0.9405 C.3 1 UNL11111111 -0.4545 18 H -1.9263 0.5603 -1.2476 H 1 UNL11111111 0.1636 19 H -1.8181 1.7935 0.0154 H 1 UNL11111111 0.1373 20 H -4.4115 2.8090 -0.1386 H 1 UNL11111111 0.1482 21 H -5.4513 1.8094 0.8843 H 1 UNL11111111 0.1466 22 H -3.8613 2.3167 1.4667 H 1 UNL11111111 0.1450 23 H -4.1069 -0.6095 -1.7106 H 1 UNL11111111 0.1549 24 H -5.6015 0.0368 -1.0209 H 1 UNL11111111 0.1462 25 H -4.5686 1.0648 -2.0258 H 1 UNL11111111 0.1486 26 H -3.9106 -0.1917 2.0260 H 1 UNL11111111 0.1402 27 H -3.9840 -1.3785 0.7207 H 1 UNL11111111 0.1454 28 H -1.5144 0.0860 1.7281 H 1 UNL11111111 0.1431 29 H 0.5604 0.4658 -0.5882 H 1 UNL11111111 0.1637 30 H 0.8638 0.1087 1.1172 H 1 UNL11111111 0.1484 31 H 2.7979 -1.4205 0.4285 H 1 UNL11111111 0.1369 32 H 2.5077 -0.9943 -1.2625 H 1 UNL11111111 0.1431 33 H 2.9390 1.4200 -0.7752 H 1 UNL11111111 0.1393 34 H 3.1184 1.0862 0.9471 H 1 UNL11111111 0.1382 35 H 4.8866 -0.2926 -1.1726 H 1 UNL11111111 0.1307 36 H 5.4336 2.3432 0.3511 H 1 UNL11111111 0.1437 37 H 6.5962 1.4849 -0.6639 H 1 UNL11111111 0.1429 38 H 5.1501 2.1936 -1.3875 H 1 UNL11111111 0.1426 39 H 5.2842 0.2222 1.8523 H 1 UNL11111111 0.1429 40 H 4.8537 -1.3292 1.1261 H 1 UNL11111111 0.1423 41 H 6.4263 -0.6012 0.7859 H 1 UNL11111111 0.1406 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 1 6 1 7 6 7 1 8 7 8 1 9 7 9 1 10 9 10 1 11 10 11 1 12 7 10 1 13 10 12 1 14 12 13 1 15 13 14 1 16 14 15 1 17 15 16 1 18 15 17 1 19 1 18 1 20 1 19 1 21 3 20 1 22 3 21 1 23 3 22 1 24 4 23 1 25 4 24 1 26 4 25 1 27 5 26 1 28 5 27 1 29 6 28 1 30 12 29 1 31 12 30 1 32 13 31 1 33 13 32 1 34 14 33 1 35 14 34 1 36 15 35 1 37 16 36 1 38 16 37 1 39 16 38 1 40 17 39 1 41 17 40 1 42 17 41 1