@MOLECULE (2S,3R)-2-ethyl-3-isobutyl-2-methyl-oxirane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.4449 0.1784 -0.2386 C.3 1 UNL11111111 -0.0491 2 C -3.4946 -0.8684 -0.6323 C.3 1 UNL11111111 -0.4561 3 C -2.6042 0.5568 1.2373 C.3 1 UNL11111111 -0.4547 4 C -1.0325 -0.3820 -0.5016 C.3 1 UNL11111111 -0.3180 5 C 0.0229 0.6770 -0.3211 C.3 1 UNL11111111 -0.0116 6 H -0.2882 1.6902 -0.5986 H 1 UNL11111111 0.1479 7 O 0.7616 0.6216 0.9050 O.3 1 UNL11111111 -0.3740 8 C 1.4888 0.3539 -0.2999 C.3 1 UNL11111111 0.1711 9 C 2.4637 1.4345 -0.6886 C.3 1 UNL11111111 -0.4708 10 C 2.0042 -1.0599 -0.4474 C.3 1 UNL11111111 -0.2793 11 C 2.8234 -1.4565 0.7812 C.3 1 UNL11111111 -0.4257 12 H -2.5956 1.0903 -0.8652 H 1 UNL11111111 0.1272 13 H -4.5090 -0.4951 -0.4530 H 1 UNL11111111 0.1440 14 H -3.4228 -1.1311 -1.6924 H 1 UNL11111111 0.1394 15 H -3.3791 -1.7901 -0.0520 H 1 UNL11111111 0.1459 16 H -1.8253 1.2635 1.5520 H 1 UNL11111111 0.1546 17 H -3.5762 1.0211 1.4294 H 1 UNL11111111 0.1407 18 H -2.5179 -0.3198 1.8891 H 1 UNL11111111 0.1478 19 H -0.8430 -1.2335 0.1846 H 1 UNL11111111 0.1623 20 H -0.9745 -0.7941 -1.5280 H 1 UNL11111111 0.1467 21 H 3.4670 1.2316 -0.2909 H 1 UNL11111111 0.1601 22 H 2.5456 1.5223 -1.7786 H 1 UNL11111111 0.1540 23 H 2.1614 2.4140 -0.2926 H 1 UNL11111111 0.1631 24 H 1.1688 -1.7749 -0.5821 H 1 UNL11111111 0.1463 25 H 2.6176 -1.1461 -1.3659 H 1 UNL11111111 0.1453 26 H 2.2319 -1.3336 1.7001 H 1 UNL11111111 0.1603 27 H 3.1457 -2.5010 0.7275 H 1 UNL11111111 0.1395 28 H 3.7177 -0.8334 0.8901 H 1 UNL11111111 0.1430 @BOND 1 1 2 1 2 1 3 1 3 1 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 2 13 1 14 2 14 1 15 2 15 1 16 3 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