@MOLECULE (2R,3S)-2-(1,1-dimethylpropyl)-3-isohexyl-oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.4568 2.4682 -0.2195 C.3 1 UNL11111111 -0.4315 2 C 2.7286 1.2522 -0.7890 C.3 1 UNL11111111 -0.2748 3 C 2.8185 -0.0003 0.1146 C.3 1 UNL11111111 0.0900 4 C 4.2766 -0.4900 0.2088 C.3 1 UNL11111111 -0.4611 5 C 2.3052 0.2834 1.5295 C.3 1 UNL11111111 -0.4567 6 C 2.0193 -1.1030 -0.5761 C.3 1 UNL11111111 -0.0368 7 H 2.5873 -1.5935 -1.3803 H 1 UNL11111111 0.1451 8 O 1.3086 -2.0316 0.2446 O.3 1 UNL11111111 -0.3588 9 C 0.5280 -1.2182 -0.6402 C.3 1 UNL11111111 0.0067 10 H 0.1013 -1.7850 -1.4785 H 1 UNL11111111 0.1469 11 C -0.4236 -0.2497 0.0105 C.3 1 UNL11111111 -0.2988 12 C -1.8626 -0.4678 -0.4759 C.3 1 UNL11111111 -0.2659 13 C -2.8133 0.5225 0.2083 C.3 1 UNL11111111 -0.2858 14 C -4.2646 0.3439 -0.2779 C.3 1 UNL11111111 -0.0592 15 C -4.8736 -0.9527 0.2690 C.3 1 UNL11111111 -0.4533 16 C -5.1108 1.5436 0.1697 C.3 1 UNL11111111 -0.4597 17 H 3.0444 2.7680 0.7502 H 1 UNL11111111 0.1448 18 H 4.5245 2.2694 -0.0769 H 1 UNL11111111 0.1435 19 H 3.3706 3.3280 -0.8930 H 1 UNL11111111 0.1377 20 H 1.6643 1.5071 -0.9581 H 1 UNL11111111 0.1372 21 H 3.1405 1.0104 -1.7881 H 1 UNL11111111 0.1363 22 H 4.9040 0.2265 0.7489 H 1 UNL11111111 0.1483 23 H 4.3323 -1.4434 0.7478 H 1 UNL11111111 0.1535 24 H 4.7232 -0.6362 -0.7791 H 1 UNL11111111 0.1421 25 H 1.3979 0.8938 1.5252 H 1 UNL11111111 0.1439 26 H 2.0731 -0.6537 2.0552 H 1 UNL11111111 0.1638 27 H 3.0511 0.8180 2.1275 H 1 UNL11111111 0.1453 28 H -0.3813 -0.3729 1.1145 H 1 UNL11111111 0.1651 29 H -0.1123 0.7944 -0.1927 H 1 UNL11111111 0.1493 30 H -1.9184 -0.3492 -1.5738 H 1 UNL11111111 0.1356 31 H -2.1783 -1.5070 -0.2621 H 1 UNL11111111 0.1441 32 H -2.7675 0.3988 1.3060 H 1 UNL11111111 0.1410 33 H -2.4796 1.5579 0.0071 H 1 UNL11111111 0.1360 34 H -4.2688 0.3017 -1.3936 H 1 UNL11111111 0.1275 35 H -5.9139 -1.0687 -0.0521 H 1 UNL11111111 0.1402 36 H -4.3225 -1.8333 -0.0786 H 1 UNL11111111 0.1440 37 H -4.8633 -0.9693 1.3642 H 1 UNL11111111 0.1455 38 H -4.7241 2.4820 -0.2406 H 1 UNL11111111 0.1404 39 H -6.1492 1.4427 -0.1637 H 1 UNL11111111 0.1431 40 H -5.1245 1.6386 1.2607 H 1 UNL11111111 0.1453 @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