@MOLECULE (2R,3R)-2-(2,2-dimethylbutyl)-3-(1,1-dimethylpropyl)oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0557 -0.1571 0.2354 C.3 1 UNL11111111 -0.4328 2 C 3.7044 0.4062 0.6708 C.3 1 UNL11111111 -0.2722 3 C 2.4909 -0.2416 -0.0401 C.3 1 UNL11111111 0.0848 4 C 2.5314 0.0545 -1.5428 C.3 1 UNL11111111 -0.4568 5 C 2.4492 -1.7588 0.1954 C.3 1 UNL11111111 -0.4609 6 C 1.2389 0.3466 0.6047 C.3 1 UNL11111111 -0.0357 7 H 1.2528 0.3250 1.7002 H 1 UNL11111111 0.1465 8 O 0.7478 1.5764 0.0678 O.3 1 UNL11111111 -0.3667 9 C -0.0794 0.4149 -0.0941 C.3 1 UNL11111111 0.0197 10 H -0.1661 0.0823 -1.1315 H 1 UNL11111111 0.1541 11 C -1.3508 0.4252 0.7158 C.3 1 UNL11111111 -0.3361 12 C -2.6033 -0.0485 -0.0662 C.3 1 UNL11111111 0.1177 13 C -2.8423 0.8650 -1.2748 C.3 1 UNL11111111 -0.4629 14 C -2.4053 -1.4982 -0.5298 C.3 1 UNL11111111 -0.4641 15 C -3.7999 0.0398 0.9171 C.3 1 UNL11111111 -0.2776 16 C -5.1392 -0.3776 0.3109 C.3 1 UNL11111111 -0.4339 17 H 5.8735 0.3222 0.7863 H 1 UNL11111111 0.1399 18 H 5.1239 -1.2345 0.4200 H 1 UNL11111111 0.1414 19 H 5.2402 0.0097 -0.8315 H 1 UNL11111111 0.1431 20 H 3.5979 0.2855 1.7662 H 1 UNL11111111 0.1336 21 H 3.6791 1.4991 0.4840 H 1 UNL11111111 0.1475 22 H 3.4853 -0.2501 -1.9852 H 1 UNL11111111 0.1466 23 H 1.7404 -0.4739 -2.0837 H 1 UNL11111111 0.1410 24 H 2.4033 1.1288 -1.7336 H 1 UNL11111111 0.1621 25 H 2.5156 -2.0033 1.2604 H 1 UNL11111111 0.1446 26 H 1.5210 -2.1947 -0.1902 H 1 UNL11111111 0.1461 27 H 3.2807 -2.2610 -0.3108 H 1 UNL11111111 0.1499 28 H -1.2286 -0.2063 1.6179 H 1 UNL11111111 0.1484 29 H -1.5227 1.4563 1.0941 H 1 UNL11111111 0.1655 30 H -1.9857 0.8695 -1.9571 H 1 UNL11111111 0.1465 31 H -3.7152 0.5443 -1.8531 H 1 UNL11111111 0.1457 32 H -3.0134 1.9011 -0.9626 H 1 UNL11111111 0.1484 33 H -2.2559 -2.1717 0.3202 H 1 UNL11111111 0.1440 34 H -3.2756 -1.8587 -1.0887 H 1 UNL11111111 0.1468 35 H -1.5370 -1.5993 -1.1884 H 1 UNL11111111 0.1430 36 H -3.5894 -0.5887 1.8036 H 1 UNL11111111 0.1334 37 H -3.8812 1.0775 1.2948 H 1 UNL11111111 0.1364 38 H -5.9438 -0.3004 1.0511 H 1 UNL11111111 0.1376 39 H -5.4149 0.2595 -0.5368 H 1 UNL11111111 0.1440 40 H -5.1201 -1.4137 -0.0433 H 1 UNL11111111 0.1415 @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 12 14 1 15 12 15 1 16 15 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 13 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 14 35 1 36 15 36 1 37 15 37 1 38 16 38 1 39 16 39 1 40 16 40 1