@MOLECULE (2R,3S)-2-(2,2-dimethylpropyl)-3-isopropyl-oxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.0872 0.5021 0.2677 C.3 1 UNL11111111 -0.0827 2 C -2.1559 1.8222 -0.5063 C.3 1 UNL11111111 -0.4532 3 C -3.4870 0.0378 0.6850 C.3 1 UNL11111111 -0.4456 4 C -1.4590 -0.5629 -0.6070 C.3 1 UNL11111111 -0.0139 5 H -1.9340 -0.6734 -1.5887 H 1 UNL11111111 0.1467 6 O -1.1847 -1.8123 0.0360 O.3 1 UNL11111111 -0.3688 7 C -0.0584 -1.0591 -0.4293 C.3 1 UNL11111111 0.0119 8 H 0.4440 -1.5181 -1.2895 H 1 UNL11111111 0.1474 9 C 0.8687 -0.5670 0.6497 C.3 1 UNL11111111 -0.3283 10 C 2.0925 0.1972 0.0947 C.3 1 UNL11111111 0.1381 11 C 1.6418 1.3272 -0.8419 C.3 1 UNL11111111 -0.4665 12 C 2.8572 0.8044 1.2850 C.3 1 UNL11111111 -0.4683 13 C 3.0244 -0.7636 -0.6592 C.3 1 UNL11111111 -0.4662 14 H -1.4729 0.6512 1.1909 H 1 UNL11111111 0.1427 15 H -2.5520 2.6272 0.1226 H 1 UNL11111111 0.1471 16 H -1.1648 2.1329 -0.8560 H 1 UNL11111111 0.1452 17 H -2.8066 1.7434 -1.3842 H 1 UNL11111111 0.1473 18 H -3.4361 -0.9286 1.2053 H 1 UNL11111111 0.1576 19 H -3.9603 0.7569 1.3608 H 1 UNL11111111 0.1428 20 H -4.1469 -0.0925 -0.1791 H 1 UNL11111111 0.1449 21 H 0.3272 0.0759 1.3721 H 1 UNL11111111 0.1532 22 H 1.2116 -1.4379 1.2482 H 1 UNL11111111 0.1607 23 H 0.9545 2.0120 -0.3338 H 1 UNL11111111 0.1451 24 H 2.4952 1.9154 -1.1944 H 1 UNL11111111 0.1450 25 H 1.1254 0.9363 -1.7248 H 1 UNL11111111 0.1463 26 H 3.1849 0.0309 1.9870 H 1 UNL11111111 0.1458 27 H 3.7498 1.3428 0.9503 H 1 UNL11111111 0.1451 28 H 2.2360 1.5155 1.8389 H 1 UNL11111111 0.1444 29 H 2.5394 -1.1928 -1.5415 H 1 UNL11111111 0.1442 30 H 3.9282 -0.2497 -1.0031 H 1 UNL11111111 0.1451 31 H 3.3418 -1.5944 -0.0200 H 1 UNL11111111 0.1468 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 4 6 1 6 6 7 1 7 7 8 1 8 4 7 1 9 7 9 1 10 9 10 1 11 10 11 1 12 10 12 1 13 10 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 9 21 1 22 9 22 1 23 11 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1