@MOLECULE (2R,3R)-2-(3,3-dimethylbutyl)-3-(2,2-dimethylpropyl)oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5542 1.7026 0.5428 C.3 1 UNL1111111 -0.4675 2 C -3.7626 0.2797 0.0010 C.3 1 UNL1111111 0.1363 3 C -4.0923 -0.6771 1.1544 C.3 1 UNL1111111 -0.4658 4 C -4.9371 0.2929 -0.9950 C.3 1 UNL1111111 -0.4693 5 C -2.5005 -0.2018 -0.7521 C.3 1 UNL1111111 -0.3315 6 C -1.2738 -0.2868 0.1166 C.3 1 UNL1111111 0.0096 7 H -1.3348 0.2082 1.0900 H 1 UNL1111111 0.1519 8 O -0.6389 -1.5707 0.1713 O.3 1 UNL1111111 -0.3683 9 C 0.0653 -0.5232 -0.5054 C.3 1 UNL1111111 -0.0021 10 H 0.1460 -0.6760 -1.5847 H 1 UNL1111111 0.1499 11 C 1.3046 -0.0144 0.1861 C.3 1 UNL1111111 -0.2968 12 C 2.5707 -0.4078 -0.5827 C.3 1 UNL1111111 -0.2921 13 C 3.8656 0.2035 0.0015 C.3 1 UNL1111111 0.1309 14 C 4.0593 -0.2231 1.4640 C.3 1 UNL1111111 -0.4652 15 C 5.0540 -0.3142 -0.8321 C.3 1 UNL1111111 -0.4698 16 C 3.8294 1.7375 -0.0868 C.3 1 UNL1111111 -0.4662 17 H -2.7902 1.7337 1.3258 H 1 UNL1111111 0.1436 18 H -3.2443 2.3902 -0.2505 H 1 UNL1111111 0.1441 19 H -4.4782 2.0972 0.9791 H 1 UNL1111111 0.1457 20 H -4.9906 -0.3594 1.6928 H 1 UNL1111111 0.1441 21 H -4.2659 -1.6957 0.7892 H 1 UNL1111111 0.1498 22 H -3.2742 -0.7338 1.8807 H 1 UNL1111111 0.1491 23 H -4.7553 0.9875 -1.8208 H 1 UNL1111111 0.1426 24 H -5.1088 -0.6989 -1.4255 H 1 UNL1111111 0.1459 25 H -5.8666 0.6012 -0.5052 H 1 UNL1111111 0.1460 26 H -2.7019 -1.1987 -1.1998 H 1 UNL1111111 0.1649 27 H -2.3067 0.4753 -1.6076 H 1 UNL1111111 0.1492 28 H 1.2449 1.0871 0.2901 H 1 UNL1111111 0.1492 29 H 1.3497 -0.4173 1.2198 H 1 UNL1111111 0.1619 30 H 2.6611 -1.5118 -0.5940 H 1 UNL1111111 0.1462 31 H 2.4760 -0.1013 -1.6417 H 1 UNL1111111 0.1370 32 H 4.0236 -1.3127 1.5688 H 1 UNL1111111 0.1478 33 H 5.0261 0.1152 1.8511 H 1 UNL1111111 0.1432 34 H 3.2844 0.1966 2.1133 H 1 UNL1111111 0.1440 35 H 4.9552 -0.0380 -1.8864 H 1 UNL1111111 0.1428 36 H 6.0009 0.1005 -0.4721 H 1 UNL1111111 0.1438 37 H 5.1336 -1.4048 -0.7787 H 1 UNL1111111 0.1459 38 H 3.0535 2.1606 0.5589 H 1 UNL1111111 0.1431 39 H 4.7839 2.1734 0.2261 H 1 UNL1111111 0.1429 40 H 3.6322 2.0738 -1.1095 H 1 UNL1111111 0.1434 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 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 13 15 1 16 13 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 3 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 4 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 14 32 1 33 14 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