@MOLECULE (2S,3R)-2-ethyl-3-isobutyl-oxirane 25 25 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.7734 0.6522 0.4257 C.3 1 UNL11111111 -0.4334 2 C 2.2599 0.7440 0.2388 C.3 1 UNL11111111 -0.2749 3 C 1.6398 -0.6254 0.1168 C.3 1 UNL11111111 0.0007 4 H 2.2410 -1.4499 0.5134 H 1 UNL11111111 0.1500 5 O 1.0266 -0.9197 -1.1436 O.3 1 UNL11111111 -0.3660 6 C 0.1591 -0.8009 -0.0096 C.3 1 UNL11111111 -0.0005 7 H -0.2910 -1.7516 0.2950 H 1 UNL11111111 0.1501 8 C -0.7696 0.3848 -0.0208 C.3 1 UNL11111111 -0.3158 9 C -2.2432 -0.0421 -0.1644 C.3 1 UNL11111111 -0.0521 10 C -2.7687 -0.6444 1.1439 C.3 1 UNL11111111 -0.4556 11 C -3.0955 1.1705 -0.5579 C.3 1 UNL11111111 -0.4560 12 H 4.0351 0.1331 1.3544 H 1 UNL11111111 0.1424 13 H 4.2451 0.1085 -0.4025 H 1 UNL11111111 0.1509 14 H 4.2302 1.6476 0.4647 H 1 UNL11111111 0.1439 15 H 1.8033 1.2920 1.0872 H 1 UNL11111111 0.1445 16 H 2.0271 1.3422 -0.6682 H 1 UNL11111111 0.1594 17 H -0.6379 0.9838 0.9010 H 1 UNL11111111 0.1495 18 H -0.4952 1.0594 -0.8598 H 1 UNL11111111 0.1622 19 H -2.3166 -0.8080 -0.9751 H 1 UNL11111111 0.1378 20 H -2.1691 -1.5018 1.4659 H 1 UNL11111111 0.1416 21 H -2.7561 0.0889 1.9572 H 1 UNL11111111 0.1443 22 H -3.8017 -0.9911 1.0308 H 1 UNL11111111 0.1438 23 H -2.7735 1.5913 -1.5166 H 1 UNL11111111 0.1451 24 H -4.1506 0.8950 -0.6604 H 1 UNL11111111 0.1446 25 H -3.0352 1.9660 0.1918 H 1 UNL11111111 0.1436 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 5 6 1 6 6 7 1 7 3 6 1 8 6 8 1 9 8 9 1 10 9 10 1 11 9 11 1 12 1 12 1 13 1 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 8 17 1 18 8 18 1 19 9 19 1 20 10 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 11 25 1