@MOLECULE (2S,3S)-3-butyl-2-methyl-2-propyl-oxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.1848 0.7007 -0.1829 C.3 1 UNL11111111 -0.4395 2 C 4.0019 -0.2493 0.0047 C.3 1 UNL11111111 -0.2483 3 C 2.6733 0.5112 -0.1012 C.3 1 UNL11111111 -0.2665 4 C 1.4865 -0.4526 0.0168 C.3 1 UNL11111111 -0.2996 5 C 0.1736 0.2887 0.0037 C.3 1 UNL11111111 -0.0093 6 H 0.2289 1.3398 -0.2957 H 1 UNL11111111 0.1483 7 O -0.6714 0.0627 1.1387 O.3 1 UNL11111111 -0.3763 8 C -1.1337 -0.4388 -0.1213 C.3 1 UNL11111111 0.1695 9 C -1.1657 -1.9371 -0.2405 C.3 1 UNL11111111 -0.4674 10 C -2.3371 0.2865 -0.6814 C.3 1 UNL11111111 -0.3038 11 C -3.5092 0.2175 0.3080 C.3 1 UNL11111111 -0.2387 12 C -4.7177 0.9875 -0.2207 C.3 1 UNL11111111 -0.4406 13 H 5.1676 1.1728 -1.1714 H 1 UNL11111111 0.1412 14 H 5.1780 1.5016 0.5650 H 1 UNL11111111 0.1443 15 H 6.1389 0.1708 -0.0884 H 1 UNL11111111 0.1394 16 H 4.0412 -1.0557 -0.7511 H 1 UNL11111111 0.1322 17 H 4.0726 -0.7521 0.9882 H 1 UNL11111111 0.1361 18 H 2.6179 1.2804 0.6930 H 1 UNL11111111 0.1439 19 H 2.6259 1.0580 -1.0613 H 1 UNL11111111 0.1366 20 H 1.5165 -1.1935 -0.8063 H 1 UNL11111111 0.1475 21 H 1.5695 -1.0406 0.9559 H 1 UNL11111111 0.1623 22 H -2.1698 -2.3370 -0.0460 H 1 UNL11111111 0.1592 23 H -0.8668 -2.2620 -1.2449 H 1 UNL11111111 0.1548 24 H -0.4910 -2.4144 0.4845 H 1 UNL11111111 0.1653 25 H -2.0936 1.3472 -0.8888 H 1 UNL11111111 0.1490 26 H -2.6254 -0.1511 -1.6561 H 1 UNL11111111 0.1478 27 H -3.7835 -0.8357 0.5044 H 1 UNL11111111 0.1344 28 H -3.1889 0.6301 1.2866 H 1 UNL11111111 0.1522 29 H -5.5488 0.9551 0.4928 H 1 UNL11111111 0.1429 30 H -4.4775 2.0426 -0.3935 H 1 UNL11111111 0.1432 31 H -5.0784 0.5698 -1.1667 H 1 UNL11111111 0.1400 @BOND 1 1 2 1 2 2 3 1 3 3 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 1 14 1 15 1 15 1 16 2 16 1 17 2 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