@MOLECULE (2R,3R)-3-isobutyl-2-methyl-2-propyl-oxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.8936 0.3466 -0.4484 C.3 1 UNL11111111 -0.0523 2 C -4.1917 -0.4699 -0.4391 C.3 1 UNL11111111 -0.4567 3 C -2.9922 1.5040 0.5505 C.3 1 UNL11111111 -0.4546 4 C -1.7039 -0.5693 -0.0999 C.3 1 UNL11111111 -0.3145 5 C -0.3860 0.1325 -0.2985 C.3 1 UNL11111111 -0.0078 6 H -0.4027 0.9631 -1.0120 H 1 UNL11111111 0.1478 7 O 0.3551 0.4196 0.8936 O.3 1 UNL11111111 -0.3763 8 C 0.9196 -0.5460 -0.0021 C.3 1 UNL11111111 0.1668 9 C 0.9519 -1.9567 0.5159 C.3 1 UNL11111111 -0.4663 10 C 2.1697 -0.0817 -0.7169 C.3 1 UNL11111111 -0.3025 11 C 3.2542 0.3032 0.2995 C.3 1 UNL11111111 -0.2387 12 C 4.4927 0.8537 -0.4048 C.3 1 UNL11111111 -0.4409 13 H -2.7411 0.7635 -1.4733 H 1 UNL11111111 0.1274 14 H -5.0559 0.1613 -0.6737 H 1 UNL11111111 0.1445 15 H -4.1640 -1.2773 -1.1776 H 1 UNL11111111 0.1396 16 H -4.3739 -0.9217 0.5419 H 1 UNL11111111 0.1460 17 H -2.0486 2.0605 0.6100 H 1 UNL11111111 0.1530 18 H -3.7802 2.2094 0.2691 H 1 UNL11111111 0.1408 19 H -3.2125 1.1444 1.5618 H 1 UNL11111111 0.1478 20 H -1.7964 -0.9143 0.9507 H 1 UNL11111111 0.1625 21 H -1.7364 -1.4844 -0.7234 H 1 UNL11111111 0.1472 22 H 0.2227 -2.1066 1.3253 H 1 UNL11111111 0.1649 23 H 0.7246 -2.6775 -0.2795 H 1 UNL11111111 0.1546 24 H 1.9370 -2.2139 0.9284 H 1 UNL11111111 0.1595 25 H 2.5368 -0.8740 -1.3966 H 1 UNL11111111 0.1474 26 H 1.9485 0.7894 -1.3652 H 1 UNL11111111 0.1488 27 H 2.8468 1.0565 1.0050 H 1 UNL11111111 0.1526 28 H 3.5247 -0.5710 0.9205 H 1 UNL11111111 0.1339 29 H 5.2728 1.1189 0.3184 H 1 UNL11111111 0.1427 30 H 4.9210 0.1206 -1.0965 H 1 UNL11111111 0.1400 31 H 4.2595 1.7572 -0.9796 H 1 UNL11111111 0.1431 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 5 7 1 7 7 8 1 8 5 8 1 9 8 9 1 10 8 10 1 11 10 11 1 12 11 12 1 13 1 13 1 14 2 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 9 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 12 31 1