@MOLECULE (2R,3R)-2-(1,1-dimethylpropyl)-3-isohexyl-oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.4914 0.1975 -0.2665 C.3 1 UNL11111111 -0.4323 2 C 4.1581 -0.5240 -0.4541 C.3 1 UNL11111111 -0.2722 3 C 2.9254 0.3071 -0.0221 C.3 1 UNL11111111 0.0842 4 C 2.9604 0.5658 1.4881 C.3 1 UNL11111111 -0.4581 5 C 2.8559 1.6397 -0.7826 C.3 1 UNL11111111 -0.4611 6 C 1.6902 -0.4998 -0.4138 C.3 1 UNL11111111 -0.0343 7 H 1.6918 -0.8359 -1.4567 H 1 UNL11111111 0.1470 8 O 1.2528 -1.5028 0.5059 O.3 1 UNL11111111 -0.3631 9 C 0.3847 -0.3795 0.3011 C.3 1 UNL11111111 0.0103 10 H 0.2959 0.2719 1.1748 H 1 UNL11111111 0.1526 11 C -0.9011 -0.6875 -0.4255 C.3 1 UNL11111111 -0.3031 12 C -2.1100 -0.0983 0.3113 C.3 1 UNL11111111 -0.2648 13 C -3.4072 -0.4238 -0.4389 C.3 1 UNL11111111 -0.2868 14 C -4.6422 0.1411 0.2885 C.3 1 UNL11111111 -0.0585 15 C -4.7174 1.6660 0.1468 C.3 1 UNL11111111 -0.4547 16 C -5.9147 -0.4973 -0.2847 C.3 1 UNL11111111 -0.4589 17 H 5.5467 1.1094 -0.8709 H 1 UNL11111111 0.1413 18 H 5.6566 0.4814 0.7787 H 1 UNL11111111 0.1431 19 H 6.3277 -0.4461 -0.5640 H 1 UNL11111111 0.1402 20 H 4.0514 -0.8190 -1.5158 H 1 UNL11111111 0.1343 21 H 4.1625 -1.4717 0.1223 H 1 UNL11111111 0.1480 22 H 3.9122 1.0103 1.7972 H 1 UNL11111111 0.1469 23 H 2.1660 1.2495 1.8030 H 1 UNL11111111 0.1413 24 H 2.8354 -0.3718 2.0475 H 1 UNL11111111 0.1622 25 H 2.9387 1.4922 -1.8641 H 1 UNL11111111 0.1450 26 H 1.9115 2.1600 -0.5878 H 1 UNL11111111 0.1460 27 H 3.6667 2.3104 -0.4778 H 1 UNL11111111 0.1505 28 H -0.8627 -0.2981 -1.4618 H 1 UNL11111111 0.1478 29 H -1.0148 -1.7884 -0.5246 H 1 UNL11111111 0.1643 30 H -2.1584 -0.4998 1.3418 H 1 UNL11111111 0.1417 31 H -1.9947 0.9971 0.4137 H 1 UNL11111111 0.1376 32 H -3.3639 -0.0274 -1.4696 H 1 UNL11111111 0.1381 33 H -3.5091 -1.5212 -0.5419 H 1 UNL11111111 0.1391 34 H -4.5717 -0.1171 1.3726 H 1 UNL11111111 0.1303 35 H -5.6032 2.0673 0.6505 H 1 UNL11111111 0.1409 36 H -3.8407 2.1536 0.5857 H 1 UNL11111111 0.1422 37 H -4.7714 1.9689 -0.9041 H 1 UNL11111111 0.1434 38 H -5.9090 -1.5848 -0.1561 H 1 UNL11111111 0.1427 39 H -6.8105 -0.1128 0.2146 H 1 UNL11111111 0.1430 40 H -6.0204 -0.2895 -1.3546 H 1 UNL11111111 0.1441 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 9 10 1 10 6 9 1 11 9 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 14 15 1 16 14 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 2 20 1 21 2 21 1 22 4 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 5 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 14 34 1 35 15 35 1 36 15 36 1 37 15 37 1 38 16 38 1 39 16 39 1 40 16 40 1