@MOLECULE (2R,3S)-2-(1,1-dimethylbutyl)-3-(2,2-dimethylpropyl)oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.7831 -0.6038 -0.1443 C.3 1 UNL11111111 -0.4665 2 C 2.8208 0.5884 -0.0579 C.3 1 UNL11111111 0.1365 3 C 2.9244 1.2508 1.3242 C.3 1 UNL11111111 -0.4667 4 C 3.2020 1.6214 -1.1349 C.3 1 UNL11111111 -0.4689 5 C 1.3688 0.1276 -0.3303 C.3 1 UNL11111111 -0.3278 6 C 0.8681 -0.9049 0.6416 C.3 1 UNL11111111 0.0140 7 H 1.5010 -1.0517 1.5269 H 1 UNL11111111 0.1485 8 O 0.4084 -2.1403 0.0773 O.3 1 UNL11111111 -0.3632 9 C -0.5634 -1.3314 0.7427 C.3 1 UNL11111111 -0.0369 10 H -0.8858 -1.7555 1.7048 H 1 UNL11111111 0.1456 11 C -1.7319 -0.7958 -0.0813 C.3 1 UNL11111111 0.0891 12 C -1.4054 -0.7390 -1.5771 C.3 1 UNL11111111 -0.4584 13 C -2.9110 -1.7658 0.1281 C.3 1 UNL11111111 -0.4616 14 C -2.0776 0.6016 0.4825 C.3 1 UNL11111111 -0.2956 15 C -3.1847 1.3168 -0.3014 C.3 1 UNL11111111 -0.2422 16 C -3.5175 2.6631 0.3437 C.3 1 UNL11111111 -0.4422 17 H 3.5432 -1.3748 0.5960 H 1 UNL11111111 0.1488 18 H 3.7378 -1.0818 -1.1293 H 1 UNL11111111 0.1493 19 H 4.8188 -0.2939 0.0266 H 1 UNL11111111 0.1435 20 H 3.9191 1.6810 1.4822 H 1 UNL11111111 0.1446 21 H 2.1946 2.0592 1.4356 H 1 UNL11111111 0.1446 22 H 2.7510 0.5344 2.1331 H 1 UNL11111111 0.1436 23 H 3.1303 1.1959 -2.1411 H 1 UNL11111111 0.1454 24 H 2.5513 2.5003 -1.0966 H 1 UNL11111111 0.1431 25 H 4.2318 1.9689 -1.0014 H 1 UNL11111111 0.1452 26 H 0.7006 1.0120 -0.3202 H 1 UNL11111111 0.1513 27 H 1.3118 -0.2849 -1.3610 H 1 UNL11111111 0.1664 28 H -0.8330 -1.6255 -1.8861 H 1 UNL11111111 0.1654 29 H -2.3151 -0.7107 -2.1864 H 1 UNL11111111 0.1448 30 H -0.8145 0.1444 -1.8362 H 1 UNL11111111 0.1439 31 H -3.2272 -1.8035 1.1750 H 1 UNL11111111 0.1423 32 H -3.7818 -1.4713 -0.4661 H 1 UNL11111111 0.1467 33 H -2.6354 -2.7828 -0.1768 H 1 UNL11111111 0.1544 34 H -2.3794 0.5039 1.5428 H 1 UNL11111111 0.1396 35 H -1.1674 1.2317 0.4891 H 1 UNL11111111 0.1397 36 H -2.8712 1.4707 -1.3511 H 1 UNL11111111 0.1364 37 H -4.0919 0.6858 -0.3457 H 1 UNL11111111 0.1349 38 H -3.9005 2.5358 1.3621 H 1 UNL11111111 0.1413 39 H -2.6347 3.3093 0.4008 H 1 UNL11111111 0.1422 40 H -4.2806 3.2001 -0.2300 H 1 UNL11111111 0.1388 @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 11 13 1 14 11 14 1 15 14 15 1 16 15 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 12 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 13 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