@MOLECULE (2r,3s)-2,3-dibutyloxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.3205 -0.9046 -0.0167 C.3 1 UNL1111111 -0.4393 2 C 3.8150 -1.1303 -0.1586 C.3 1 UNL1111111 -0.2489 3 C 3.0377 0.1536 0.1616 C.3 1 UNL1111111 -0.2663 4 C 1.5266 -0.0897 0.0669 C.3 1 UNL1111111 -0.3000 5 C 0.7484 1.1673 0.3609 C.3 1 UNL1111111 0.0008 6 H 1.2824 1.9279 0.9394 H 1 UNL1111111 0.1489 7 O -0.0044 1.7047 -0.7327 O.3 1 UNL1111111 -0.3618 8 C -0.7485 1.1659 0.3660 C.3 1 UNL1111111 0.0009 9 H -1.2799 1.9254 0.9483 H 1 UNL1111111 0.1488 10 C -1.5258 -0.0928 0.0777 C.3 1 UNL1111111 -0.3000 11 C -3.0370 0.1541 0.1617 C.3 1 UNL1111111 -0.2662 12 C -3.8130 -1.1319 -0.1525 C.3 1 UNL1111111 -0.2489 13 C -5.3193 -0.9048 -0.0239 C.3 1 UNL1111111 -0.4393 14 H 5.5831 -0.5613 0.9900 H 1 UNL1111111 0.1418 15 H 5.8801 -1.8274 -0.2057 H 1 UNL1111111 0.1397 16 H 5.6805 -0.1515 -0.7267 H 1 UNL1111111 0.1446 17 H 3.5797 -1.4678 -1.1862 H 1 UNL1111111 0.1361 18 H 3.4917 -1.9492 0.5110 H 1 UNL1111111 0.1324 19 H 3.3052 0.5153 1.1719 H 1 UNL1111111 0.1366 20 H 3.3354 0.9574 -0.5391 H 1 UNL1111111 0.1453 21 H 1.2686 -0.4616 -0.9475 H 1 UNL1111111 0.1620 22 H 1.2269 -0.8926 0.7696 H 1 UNL1111111 0.1474 23 H -1.2622 -0.4743 -0.9316 H 1 UNL1111111 0.1618 24 H -1.2314 -0.8895 0.7898 H 1 UNL1111111 0.1474 25 H -3.3096 0.5238 1.1677 H 1 UNL1111111 0.1365 26 H -3.3294 0.9536 -0.5462 H 1 UNL1111111 0.1454 27 H -3.5700 -1.4799 -1.1748 H 1 UNL1111111 0.1361 28 H -3.4950 -1.9443 0.5277 H 1 UNL1111111 0.1323 29 H -5.5895 -0.5550 0.9787 H 1 UNL1111111 0.1418 30 H -5.6737 -0.1562 -0.7414 H 1 UNL1111111 0.1446 31 H -5.8777 -1.8286 -0.2111 H 1 UNL1111111 0.1396 @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 8 9 1 9 5 8 1 10 8 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1