@MOLECULE (2R,3R)-2-isohexyl-3-[(1R,2R)-2-methylcyclobutyl]oxirane 38 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.7137 -0.3055 -0.3446 C.3 1 UNL1111111 -0.0588 2 C -5.8805 -0.9417 0.4236 C.3 1 UNL1111111 -0.4592 3 C -5.0828 1.1238 -0.7578 C.3 1 UNL1111111 -0.4530 4 C -3.4483 -0.3200 0.5355 C.3 1 UNL1111111 -0.2881 5 C -2.1893 0.0174 -0.2720 C.3 1 UNL1111111 -0.2639 6 C -0.9320 -0.1282 0.5956 C.3 1 UNL1111111 -0.2997 7 C 0.3006 0.2766 -0.1718 C.3 1 UNL1111111 0.0071 8 H 0.2311 0.1985 -1.2609 H 1 UNL1111111 0.1519 9 O 0.9464 1.4722 0.2794 O.3 1 UNL1111111 -0.3581 10 C 1.6448 0.2383 0.4840 C.3 1 UNL1111111 -0.0150 11 H 1.7305 -0.0513 1.5350 H 1 UNL1111111 0.1520 12 C 2.8713 0.0489 -0.3536 C.3 1 UNL1111111 -0.1595 13 H 2.8753 0.7482 -1.2095 H 1 UNL1111111 0.1595 14 C 4.2257 0.0572 0.4317 C.3 1 UNL1111111 -0.0836 15 H 4.0878 0.1403 1.5231 H 1 UNL1111111 0.1356 16 C 5.2302 1.0789 -0.0590 C.3 1 UNL1111111 -0.4525 17 C 4.4915 -1.4065 -0.0302 C.3 1 UNL1111111 -0.2944 18 C 3.1280 -1.4298 -0.7650 C.3 1 UNL1111111 -0.2815 19 H -4.5215 -0.9081 -1.2647 H 1 UNL1111111 0.1276 20 H -6.7969 -0.9415 -0.1762 H 1 UNL1111111 0.1431 21 H -5.6642 -1.9806 0.6924 H 1 UNL1111111 0.1402 22 H -6.0943 -0.3966 1.3492 H 1 UNL1111111 0.1454 23 H -5.2611 1.7598 0.1159 H 1 UNL1111111 0.1457 24 H -4.2852 1.5894 -1.3468 H 1 UNL1111111 0.1443 25 H -5.9925 1.1385 -1.3672 H 1 UNL1111111 0.1404 26 H -3.5650 0.3940 1.3716 H 1 UNL1111111 0.1412 27 H -3.3359 -1.3165 1.0027 H 1 UNL1111111 0.1355 28 H -2.1188 -0.6412 -1.1577 H 1 UNL1111111 0.1356 29 H -2.2561 1.0510 -0.6637 H 1 UNL1111111 0.1459 30 H -1.0299 0.4948 1.5096 H 1 UNL1111111 0.1624 31 H -0.8320 -1.1728 0.9506 H 1 UNL1111111 0.1476 32 H 4.8921 2.1007 0.1591 H 1 UNL1111111 0.1530 33 H 6.2050 0.9423 0.4245 H 1 UNL1111111 0.1465 34 H 5.3893 1.0129 -1.1418 H 1 UNL1111111 0.1473 35 H 5.3586 -1.5237 -0.6835 H 1 UNL1111111 0.1416 36 H 4.5831 -2.1268 0.7842 H 1 UNL1111111 0.1370 37 H 2.4079 -2.1446 -0.3599 H 1 UNL1111111 0.1413 38 H 3.1943 -1.5907 -1.8427 H 1 UNL1111111 0.1395 @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 14 16 1 17 14 17 1 18 17 18 1 19 12 18 1 20 1 19 1 21 2 20 1 22 2 21 1 23 2 22 1 24 3 23 1 25 3 24 1 26 3 25 1 27 4 26 1 28 4 27 1 29 5 28 1 30 5 29 1 31 6 30 1 32 6 31 1 33 16 32 1 34 16 33 1 35 16 34 1 36 17 35 1 37 17 36 1 38 18 37 1 39 18 38 1