@MOLECULE (2S,3R)-2-(2,2-dimethylbutyl)-3-pentyl-oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.3298 1.4378 0.1552 C.3 1 UNL11111111 -0.4415 2 C 5.4199 0.2380 -0.1080 C.3 1 UNL11111111 -0.2495 3 C 3.9443 0.6241 0.0598 C.3 1 UNL11111111 -0.2709 4 C 3.0333 -0.5813 -0.2050 C.3 1 UNL11111111 -0.2692 5 C 1.5592 -0.1838 -0.0595 C.3 1 UNL11111111 -0.2961 6 C 0.6445 -1.3562 -0.3082 C.3 1 UNL11111111 -0.0016 7 H 1.0811 -2.1839 -0.8755 H 1 UNL11111111 0.1482 8 O -0.1394 -1.7812 0.8126 O.3 1 UNL11111111 -0.3672 9 C -0.8438 -1.1914 -0.2869 C.3 1 UNL11111111 0.0107 10 H -1.4651 -1.9052 -0.8374 H 1 UNL11111111 0.1504 11 C -1.4635 0.1549 -0.0221 C.3 1 UNL11111111 -0.3321 12 C -3.0139 0.1615 -0.0843 C.3 1 UNL11111111 0.1171 13 C -3.4796 -0.2262 -1.4945 C.3 1 UNL11111111 -0.4648 14 C -3.5753 -0.8226 0.9487 C.3 1 UNL11111111 -0.4628 15 C -3.4639 1.6087 0.2470 C.3 1 UNL11111111 -0.2780 16 C -4.9786 1.8094 0.2334 C.3 1 UNL11111111 -0.4330 17 H 6.1228 2.2584 -0.5406 H 1 UNL11111111 0.1413 18 H 6.1974 1.8260 1.1714 H 1 UNL11111111 0.1434 19 H 7.3855 1.1683 0.0412 H 1 UNL11111111 0.1406 20 H 5.5959 -0.1527 -1.1279 H 1 UNL11111111 0.1327 21 H 5.6753 -0.5887 0.5821 H 1 UNL11111111 0.1360 22 H 3.7714 1.0130 1.0809 H 1 UNL11111111 0.1388 23 H 3.6910 1.4523 -0.6276 H 1 UNL11111111 0.1352 24 H 3.2227 -0.9829 -1.2179 H 1 UNL11111111 0.1361 25 H 3.2744 -1.4002 0.5000 H 1 UNL11111111 0.1447 26 H 1.3779 0.2221 0.9586 H 1 UNL11111111 0.1621 27 H 1.3189 0.6392 -0.7619 H 1 UNL11111111 0.1472 28 H -1.1425 0.5115 0.9800 H 1 UNL11111111 0.1629 29 H -1.0671 0.8921 -0.7488 H 1 UNL11111111 0.1482 30 H -3.1673 -1.2411 -1.7604 H 1 UNL11111111 0.1428 31 H -4.5718 -0.1998 -1.5733 H 1 UNL11111111 0.1478 32 H -3.0774 0.4556 -2.2503 H 1 UNL11111111 0.1432 33 H -3.3151 -0.5211 1.9693 H 1 UNL11111111 0.1489 34 H -4.6661 -0.8907 0.8890 H 1 UNL11111111 0.1449 35 H -3.1754 -1.8327 0.8024 H 1 UNL11111111 0.1508 36 H -3.0690 1.8915 1.2421 H 1 UNL11111111 0.1365 37 H -2.9979 2.3067 -0.4743 H 1 UNL11111111 0.1327 38 H -5.2392 2.8359 0.5155 H 1 UNL11111111 0.1374 39 H -5.4032 1.6259 -0.7593 H 1 UNL11111111 0.1411 40 H -5.4825 1.1387 0.9383 H 1 UNL11111111 0.1452 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 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 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 3 22 1 23 3 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 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