@MOLECULE (2S,3R)-2-ethyl-3-isopentyl-oxirane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.2148 -0.9470 -0.2936 C.3 1 UNL1111111 -0.4345 2 C 2.6935 -0.8076 -0.2871 C.3 1 UNL1111111 -0.2751 3 C 2.2780 0.6350 -0.1431 C.3 1 UNL1111111 0.0009 4 H 3.0307 1.3720 -0.4403 H 1 UNL1111111 0.1492 5 O 1.5993 0.9667 1.0738 O.3 1 UNL1111111 -0.3624 6 C 0.8351 1.0309 -0.1356 C.3 1 UNL1111111 -0.0023 7 H 0.5609 2.0508 -0.4246 H 1 UNL1111111 0.1489 8 C -0.2552 0.0010 -0.2812 C.3 1 UNL1111111 -0.2976 9 C -1.6399 0.6402 -0.1256 C.3 1 UNL1111111 -0.2814 10 C -2.7659 -0.3926 -0.3230 C.3 1 UNL1111111 -0.0582 11 C -2.8517 -1.3558 0.8664 C.3 1 UNL1111111 -0.4527 12 C -4.1047 0.3379 -0.4954 C.3 1 UNL1111111 -0.4570 13 H 4.6571 -0.5232 0.6167 H 1 UNL1111111 0.1515 14 H 4.5164 -1.9994 -0.3443 H 1 UNL1111111 0.1441 15 H 4.6654 -0.4338 -1.1503 H 1 UNL1111111 0.1424 16 H 2.2675 -1.2338 -1.2174 H 1 UNL1111111 0.1449 17 H 2.2639 -1.4061 0.5448 H 1 UNL1111111 0.1593 18 H -0.1726 -0.4979 -1.2671 H 1 UNL1111111 0.1464 19 H -0.1233 -0.7989 0.4778 H 1 UNL1111111 0.1614 20 H -1.7284 1.1119 0.8716 H 1 UNL1111111 0.1484 21 H -1.7580 1.4613 -0.8579 H 1 UNL1111111 0.1364 22 H -2.5582 -0.9814 -1.2486 H 1 UNL1111111 0.1270 23 H -1.9374 -1.9486 0.9719 H 1 UNL1111111 0.1421 24 H -3.0044 -0.8170 1.8083 H 1 UNL1111111 0.1478 25 H -3.6857 -2.0560 0.7490 H 1 UNL1111111 0.1412 26 H -4.0839 1.0152 -1.3552 H 1 UNL1111111 0.1405 27 H -4.9245 -0.3701 -0.6562 H 1 UNL1111111 0.1420 28 H -4.3532 0.9313 0.3913 H 1 UNL1111111 0.1468 @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 10 11 1 12 10 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 8 18 1 19 8 19 1 20 9 20 1 21 9 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 11 25 1 26 12 26 1 27 12 27 1 28 12 28 1