@MOLECULE (2R,3S)-2-tert-butyl-3-isobutyl-oxirane 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.6530 0.2199 0.3526 C.3 1 UNL11111111 -0.0534 2 C 3.2932 -1.0509 -0.2151 C.3 1 UNL11111111 -0.4542 3 C 3.4017 1.4574 -0.1581 C.3 1 UNL11111111 -0.4561 4 C 1.1699 0.3141 -0.0576 C.3 1 UNL11111111 -0.3159 5 C 0.3333 -0.7510 0.5974 C.3 1 UNL11111111 0.0093 6 H 0.8411 -1.3020 1.4006 H 1 UNL11111111 0.1466 7 O -0.4131 -1.6041 -0.2803 O.3 1 UNL11111111 -0.3624 8 C -1.1631 -0.7620 0.5972 C.3 1 UNL11111111 -0.0318 9 H -1.6508 -1.3197 1.4107 H 1 UNL11111111 0.1453 10 C -2.0821 0.2820 -0.0237 C.3 1 UNL11111111 0.1097 11 C -3.4980 -0.3254 -0.0842 C.3 1 UNL11111111 -0.4633 12 C -2.0950 1.5142 0.8942 C.3 1 UNL11111111 -0.4635 13 C -1.6631 0.6773 -1.4436 C.3 1 UNL11111111 -0.4601 14 H 2.7206 0.1948 1.4670 H 1 UNL11111111 0.1279 15 H 4.3374 -1.1465 0.0993 H 1 UNL11111111 0.1412 16 H 2.7619 -1.9506 0.1162 H 1 UNL11111111 0.1489 17 H 3.2756 -1.0548 -1.3110 H 1 UNL11111111 0.1485 18 H 3.3429 1.5402 -1.2490 H 1 UNL11111111 0.1465 19 H 2.9931 2.3791 0.2683 H 1 UNL11111111 0.1402 20 H 4.4631 1.4139 0.1090 H 1 UNL11111111 0.1443 21 H 0.7772 1.3176 0.2016 H 1 UNL11111111 0.1491 22 H 1.0857 0.2285 -1.1620 H 1 UNL11111111 0.1669 23 H -3.8693 -0.5942 0.9094 H 1 UNL11111111 0.1423 24 H -4.2138 0.3786 -0.5205 H 1 UNL11111111 0.1468 25 H -3.5067 -1.2320 -0.7013 H 1 UNL11111111 0.1544 26 H -1.1068 1.9817 0.9563 H 1 UNL11111111 0.1454 27 H -2.7951 2.2706 0.5237 H 1 UNL11111111 0.1490 28 H -2.3997 1.2534 1.9135 H 1 UNL11111111 0.1456 29 H -1.3934 -0.2108 -2.0320 H 1 UNL11111111 0.1641 30 H -2.4738 1.1911 -1.9711 H 1 UNL11111111 0.1452 31 H -0.8008 1.3495 -1.4492 H 1 UNL11111111 0.1436 @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 8 9 1 9 5 8 1 10 8 10 1 11 10 11 1 12 10 12 1 13 10 13 1 14 1 14 1 15 2 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 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 29 13 29 1 30 13 30 1 31 13 31 1