@MOLECULE (2R,3R)-2-(1,1-dimethylbutyl)-3-(2,2-dimethylbutyl)oxirane 43 43 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.5305 0.2557 0.5184 C.3 1 UNL11111111 -0.4340 2 C 4.1694 -0.2671 0.9751 C.3 1 UNL11111111 -0.2775 3 C 3.0129 0.0174 -0.0185 C.3 1 UNL11111111 0.1178 4 C 2.8193 1.5306 -0.1866 C.3 1 UNL11111111 -0.4641 5 C 3.3050 -0.6309 -1.3774 C.3 1 UNL11111111 -0.4629 6 C 1.7360 -0.6059 0.6021 C.3 1 UNL11111111 -0.3370 7 C 0.4911 -0.4098 -0.2248 C.3 1 UNL11111111 0.0204 8 H 0.6260 0.0577 -1.2034 H 1 UNL11111111 0.1539 9 O -0.3970 -1.5371 -0.2459 O.3 1 UNL11111111 -0.3677 10 C -0.8419 -0.3692 0.4473 C.3 1 UNL11111111 -0.0328 11 H -0.8871 -0.4990 1.5347 H 1 UNL11111111 0.1467 12 C -2.0489 0.3603 -0.1358 C.3 1 UNL11111111 0.0823 13 C -1.9789 1.8151 0.3521 C.3 1 UNL11111111 -0.4619 14 C -2.0356 0.3227 -1.6677 C.3 1 UNL11111111 -0.4578 15 C -3.3023 -0.3625 0.4131 C.3 1 UNL11111111 -0.2936 16 C -4.6269 0.3097 0.0347 C.3 1 UNL11111111 -0.2452 17 C -5.8075 -0.4595 0.6305 C.3 1 UNL11111111 -0.4402 18 H 6.3035 0.0335 1.2630 H 1 UNL11111111 0.1377 19 H 5.8448 -0.2047 -0.4248 H 1 UNL11111111 0.1439 20 H 5.5201 1.3409 0.3715 H 1 UNL11111111 0.1415 21 H 4.2396 -1.3587 1.1467 H 1 UNL11111111 0.1364 22 H 3.9203 0.1777 1.9577 H 1 UNL11111111 0.1337 23 H 3.7063 1.9990 -0.6265 H 1 UNL11111111 0.1466 24 H 1.9749 1.7606 -0.8438 H 1 UNL11111111 0.1431 25 H 2.6311 2.0177 0.7756 H 1 UNL11111111 0.1441 26 H 3.4784 -1.7079 -1.2761 H 1 UNL11111111 0.1482 27 H 2.4732 -0.5010 -2.0778 H 1 UNL11111111 0.1458 28 H 4.1930 -0.1942 -1.8465 H 1 UNL11111111 0.1459 29 H 1.8942 -1.6962 0.7501 H 1 UNL11111111 0.1657 30 H 1.5861 -0.1872 1.6169 H 1 UNL11111111 0.1485 31 H -1.0183 2.2745 0.0934 H 1 UNL11111111 0.1472 32 H -2.7651 2.4253 -0.1052 H 1 UNL11111111 0.1492 33 H -2.0994 1.8824 1.4380 H 1 UNL11111111 0.1454 34 H -1.9313 -0.7086 -2.0323 H 1 UNL11111111 0.1625 35 H -2.9611 0.7302 -2.0876 H 1 UNL11111111 0.1460 36 H -1.2078 0.9063 -2.0821 H 1 UNL11111111 0.1418 37 H -3.2965 -1.4081 0.0438 H 1 UNL11111111 0.1507 38 H -3.2352 -0.4340 1.5155 H 1 UNL11111111 0.1369 39 H -4.6419 1.3559 0.3927 H 1 UNL11111111 0.1330 40 H -4.7305 0.3615 -1.0654 H 1 UNL11111111 0.1347 41 H -5.8237 -1.4986 0.2824 H 1 UNL11111111 0.1450 42 H -5.7624 -0.4793 1.7249 H 1 UNL11111111 0.1415 43 H -6.7615 -0.0020 0.3474 H 1 UNL11111111 0.1385 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 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 4 23 1 24 4 24 1 25 4 25 1 26 5 26 1 27 5 27 1 28 5 28 1 29 6 29 1 30 6 30 1 31 13 31 1 32 13 32 1 33 13 33 1 34 14 34 1 35 14 35 1 36 14 36 1 37 15 37 1 38 15 38 1 39 16 39 1 40 16 40 1 41 17 41 1 42 17 42 1 43 17 43 1