@MOLECULE (2S,3R)-3-butyl-2-ethyl-2-methyl-oxirane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.7113 0.0159 -0.0054 C.3 1 UNL11111111 -0.4403 2 C 3.3334 0.6669 -0.1268 C.3 1 UNL11111111 -0.2476 3 C 2.2207 -0.3784 0.0277 C.3 1 UNL11111111 -0.2642 4 C 0.8431 0.2609 -0.1897 C.3 1 UNL11111111 -0.3020 5 C -0.2614 -0.7384 0.0391 C.3 1 UNL11111111 -0.0145 6 H 0.0435 -1.7890 -0.0141 H 1 UNL11111111 0.1489 7 O -1.1390 -0.4543 1.1355 O.3 1 UNL11111111 -0.3734 8 C -1.7079 -0.3989 -0.1777 C.3 1 UNL11111111 0.1733 9 C -2.6601 -1.5223 -0.4936 C.3 1 UNL11111111 -0.4720 10 C -2.1516 0.9723 -0.6337 C.3 1 UNL11111111 -0.2791 11 C -3.2144 1.5340 0.3115 C.3 1 UNL11111111 -0.4267 12 H 5.5109 0.7586 -0.1008 H 1 UNL11111111 0.1394 13 H 4.8368 -0.4793 0.9641 H 1 UNL11111111 0.1445 14 H 4.8692 -0.7386 -0.7840 H 1 UNL11111111 0.1412 15 H 3.2191 1.4558 0.6411 H 1 UNL11111111 0.1362 16 H 3.2430 1.1777 -1.1038 H 1 UNL11111111 0.1322 17 H 2.3752 -1.2044 -0.6911 H 1 UNL11111111 0.1363 18 H 2.2711 -0.8359 1.0345 H 1 UNL11111111 0.1448 19 H 0.7160 1.1228 0.4998 H 1 UNL11111111 0.1627 20 H 0.7769 0.6757 -1.2149 H 1 UNL11111111 0.1466 21 H -3.7014 -1.2379 -0.2911 H 1 UNL11111111 0.1603 22 H -2.5915 -1.8154 -1.5481 H 1 UNL11111111 0.1543 23 H -2.4534 -2.4116 0.1183 H 1 UNL11111111 0.1637 24 H -1.2926 1.6714 -0.6764 H 1 UNL11111111 0.1478 25 H -2.5443 0.9161 -1.6681 H 1 UNL11111111 0.1450 26 H -4.1313 0.9348 0.2950 H 1 UNL11111111 0.1425 27 H -2.8494 1.5389 1.3485 H 1 UNL11111111 0.1597 28 H -3.4816 2.5620 0.0468 H 1 UNL11111111 0.1402 @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 1 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 9 21 1 22 9 22 1 23 9 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 11 28 1