@MOLECULE (2s,3s)-2-pentyl-3-propyloxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.6282 1.8063 0.1447 C.3 1 UNL111 -0.4387 2 C 4.0756 0.4087 -0.1325 C.3 1 UNL111 -0.2446 3 C 2.5415 0.4124 -0.0920 C.3 1 UNL111 -0.2973 4 C 1.9857 -0.9673 -0.3337 C.3 1 UNL111 -0.0028 5 H 2.6436 -1.6509 -0.8805 H 1 UNL111 0.1484 6 O 1.3290 -1.5780 0.7831 O.3 1 UNL111 -0.3622 7 C 0.5110 -1.2235 -0.3374 C.3 1 UNL111 0.0011 8 H 0.1234 -2.0890 -0.8853 H 1 UNL111 0.1493 9 C -0.4762 -0.1088 -0.1049 C.3 1 UNL111 -0.2974 10 C -1.9192 -0.6217 -0.1871 C.3 1 UNL111 -0.2676 11 C -2.9134 0.5203 0.0566 C.3 1 UNL111 -0.2704 12 C -4.3573 0.0167 -0.0726 C.3 1 UNL111 -0.2499 13 C -5.3546 1.1543 0.1461 C.3 1 UNL111 -0.4414 14 H 5.7237 1.8136 0.1098 H 1 UNL111 0.1421 15 H 4.2704 2.5340 -0.5918 H 1 UNL111 0.1414 16 H 4.3296 2.1665 1.1358 H 1 UNL111 0.1451 17 H 4.4310 0.0505 -1.1168 H 1 UNL111 0.1333 18 H 4.4694 -0.3094 0.6134 H 1 UNL111 0.1429 19 H 2.1951 0.7924 0.8926 H 1 UNL111 0.1620 20 H 2.1437 1.1204 -0.8456 H 1 UNL111 0.1475 21 H -0.2963 0.3533 0.8891 H 1 UNL111 0.1619 22 H -0.3169 0.6977 -0.8480 H 1 UNL111 0.1474 23 H -2.1058 -1.0789 -1.1770 H 1 UNL111 0.1361 24 H -2.0759 -1.4269 0.5565 H 1 UNL111 0.1451 25 H -2.7541 0.9575 1.0601 H 1 UNL111 0.1391 26 H -2.7351 1.3401 -0.6635 H 1 UNL111 0.1355 27 H -4.5135 -0.4336 -1.0711 H 1 UNL111 0.1327 28 H -4.5421 -0.7939 0.6577 H 1 UNL111 0.1360 29 H -6.3871 0.7999 0.0529 H 1 UNL111 0.1406 30 H -5.2470 1.5961 1.1432 H 1 UNL111 0.1435 31 H -5.2151 1.9564 -0.5869 H 1 UNL111 0.1414 @BOND 1 1 2 1 2 2 3 1 3 3 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 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 9 21 1 22 9 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