@MOLECULE (2S,3S)-2-(1,1-dimethylbutyl)-3-[(1S)-1-methylbutyl]oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.4374 0.0060 -1.0984 C.3 1 UNL11111111 -0.4409 2 C 4.3648 0.0960 -0.0115 C.3 1 UNL11111111 -0.2435 3 C 2.9636 0.0374 -0.6315 C.3 1 UNL11111111 -0.2945 4 C 1.8181 -0.0048 0.4080 C.3 1 UNL11111111 0.0803 5 C 1.8664 -1.3109 1.2153 C.3 1 UNL11111111 -0.4610 6 C 1.8933 1.2012 1.3496 C.3 1 UNL11111111 -0.4506 7 C 0.5040 0.0091 -0.3704 C.3 1 UNL11111111 -0.0287 8 H 0.5489 -0.4823 -1.3478 H 1 UNL11111111 0.1478 9 O -0.2284 1.2373 -0.3845 O.3 1 UNL11111111 -0.3555 10 C -0.8185 0.1334 0.3110 C.3 1 UNL11111111 -0.0118 11 H -0.8690 0.2616 1.3948 H 1 UNL11111111 0.1501 12 C -2.0620 -0.4434 -0.3356 C.3 1 UNL11111111 -0.1131 13 H -2.0276 -0.2431 -1.4361 H 1 UNL11111111 0.1523 14 C -2.0917 -1.9560 -0.0977 C.3 1 UNL11111111 -0.4472 15 C -3.3050 0.2484 0.2517 C.3 1 UNL11111111 -0.2813 16 C -4.5447 0.0140 -0.6207 C.3 1 UNL11111111 -0.2470 17 C -5.7709 0.6915 -0.0087 C.3 1 UNL11111111 -0.4397 18 H 5.3423 0.8227 -1.8229 H 1 UNL11111111 0.1444 19 H 6.4427 0.0636 -0.6676 H 1 UNL11111111 0.1389 20 H 5.3699 -0.9363 -1.6527 H 1 UNL11111111 0.1409 21 H 4.4978 -0.7253 0.7169 H 1 UNL11111111 0.1332 22 H 4.4901 1.0350 0.5603 H 1 UNL11111111 0.1365 23 H 2.8189 0.9161 -1.2908 H 1 UNL11111111 0.1467 24 H 2.8934 -0.8510 -1.2881 H 1 UNL11111111 0.1368 25 H 2.7782 -1.3715 1.8186 H 1 UNL11111111 0.1490 26 H 1.0155 -1.3866 1.9010 H 1 UNL11111111 0.1466 27 H 1.8452 -2.1886 0.5612 H 1 UNL11111111 0.1448 28 H 1.8475 2.1417 0.7843 H 1 UNL11111111 0.1601 29 H 1.0579 1.2150 2.0577 H 1 UNL11111111 0.1462 30 H 2.8186 1.2019 1.9333 H 1 UNL11111111 0.1432 31 H -1.1976 -2.4411 -0.5055 H 1 UNL11111111 0.1451 32 H -2.1409 -2.1965 0.9698 H 1 UNL11111111 0.1456 33 H -2.9637 -2.4154 -0.5765 H 1 UNL11111111 0.1470 34 H -3.4911 -0.1079 1.2810 H 1 UNL11111111 0.1381 35 H -3.1151 1.3376 0.3366 H 1 UNL11111111 0.1479 36 H -4.3681 0.4040 -1.6414 H 1 UNL11111111 0.1356 37 H -4.7311 -1.0700 -0.7373 H 1 UNL11111111 0.1323 38 H -6.6581 0.5475 -0.6347 H 1 UNL11111111 0.1395 39 H -5.9983 0.2867 0.9836 H 1 UNL11111111 0.1408 40 H -5.6180 1.7712 0.1024 H 1 UNL11111111 0.1452 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 4 7 1 7 7 8 1 8 7 9 1 9 9 10 1 10 10 11 1 11 7 10 1 12 10 12 1 13 12 13 1 14 12 14 1 15 12 15 1 16 15 16 1 17 16 17 1 18 1 18 1 19 1 19 1 20 1 20 1 21 2 21 1 22 2 22 1 23 3 23 1 24 3 24 1 25 5 25 1 26 5 26 1 27 5 27 1 28 6 28 1 29 6 29 1 30 6 30 1 31 14 31 1 32 14 32 1 33 14 33 1 34 15 34 1 35 15 35 1 36 16 36 1 37 16 37 1 38 17 38 1 39 17 39 1 40 17 40 1