@MOLECULE (2R,3R)-2-tert-butyl-3-isohexyl-oxirane 37 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5974 0.4883 0.5382 C.3 1 UNL11111111 -0.4616 2 C 3.3660 -0.3169 0.0922 C.3 1 UNL11111111 0.1022 3 C 3.4684 -0.6029 -1.4107 C.3 1 UNL11111111 -0.4588 4 C 3.2917 -1.6365 0.8764 C.3 1 UNL11111111 -0.4637 5 C 2.1205 0.4940 0.4253 C.3 1 UNL11111111 -0.0301 6 H 2.1292 0.9298 1.4304 H 1 UNL11111111 0.1481 7 O 1.6399 1.3915 -0.5784 O.3 1 UNL11111111 -0.3607 8 C 0.8102 0.2678 -0.2549 C.3 1 UNL11111111 0.0066 9 H 0.7319 -0.4663 -1.0611 H 1 UNL11111111 0.1519 10 C -0.4733 0.5990 0.4650 C.3 1 UNL11111111 -0.3034 11 C -1.6937 0.0752 -0.3018 C.3 1 UNL11111111 -0.2635 12 C -2.9891 0.4253 0.4410 C.3 1 UNL11111111 -0.2872 13 C -4.2314 -0.0894 -0.3116 C.3 1 UNL11111111 -0.0582 14 C -4.3518 -1.6140 -0.1995 C.3 1 UNL11111111 -0.4548 15 C -5.4942 0.5707 0.2585 C.3 1 UNL11111111 -0.4588 16 H 4.6410 1.4542 0.0199 H 1 UNL11111111 0.1553 17 H 4.5839 0.6896 1.6139 H 1 UNL11111111 0.1431 18 H 5.5256 -0.0480 0.3158 H 1 UNL11111111 0.1471 19 H 4.4380 -1.0405 -1.6684 H 1 UNL11111111 0.1449 20 H 2.6941 -1.2978 -1.7494 H 1 UNL11111111 0.1423 21 H 3.3561 0.3234 -1.9916 H 1 UNL11111111 0.1636 22 H 3.2728 -1.4626 1.9574 H 1 UNL11111111 0.1452 23 H 2.3925 -2.2052 0.6160 H 1 UNL11111111 0.1468 24 H 4.1575 -2.2717 0.6606 H 1 UNL11111111 0.1491 25 H -0.4577 0.1730 1.4877 H 1 UNL11111111 0.1478 26 H -0.5521 1.6992 0.5982 H 1 UNL11111111 0.1638 27 H -1.7133 0.5073 -1.3208 H 1 UNL11111111 0.1427 28 H -1.6165 -1.0204 -0.4343 H 1 UNL11111111 0.1370 29 H -2.9690 0.0069 1.4636 H 1 UNL11111111 0.1379 30 H -3.0598 1.5228 0.5656 H 1 UNL11111111 0.1391 31 H -4.1402 0.1871 -1.3897 H 1 UNL11111111 0.1306 32 H -4.4489 -1.9317 0.8441 H 1 UNL11111111 0.1432 33 H -5.2302 -1.9825 -0.7397 H 1 UNL11111111 0.1407 34 H -3.4748 -2.1188 -0.6177 H 1 UNL11111111 0.1422 35 H -5.4678 1.6583 0.1349 H 1 UNL11111111 0.1427 36 H -6.3947 0.2051 -0.2465 H 1 UNL11111111 0.1431 37 H -5.6087 0.3603 1.3267 H 1 UNL11111111 0.1439 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 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 11 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 3 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 4 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 14 34 1 35 15 35 1 36 15 36 1 37 15 37 1