@MOLECULE (2S,3R)-2-(3,3-dimethylbutyl)-3-(2,2-dimethylpropyl)oxirane 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.9960 -0.3094 1.4022 C.3 1 UNL11111111 -0.4678 2 C 3.4391 -0.4757 -0.0200 C.3 1 UNL11111111 0.1358 3 C 4.0412 0.5890 -0.9461 C.3 1 UNL11111111 -0.4656 4 C 3.8202 -1.8729 -0.5441 C.3 1 UNL11111111 -0.4694 5 C 1.8957 -0.3710 -0.0133 C.3 1 UNL11111111 -0.3265 6 C 1.3834 0.9825 0.4021 C.3 1 UNL11111111 0.0087 7 H 2.0663 1.5845 1.0098 H 1 UNL11111111 0.1492 8 O 0.7141 1.7359 -0.6165 O.3 1 UNL11111111 -0.3677 9 C -0.0859 1.2610 0.4724 C.3 1 UNL11111111 -0.0029 10 H -0.4459 2.0582 1.1302 H 1 UNL11111111 0.1484 11 C -1.0955 0.1963 0.1265 C.3 1 UNL11111111 -0.2933 12 C -2.5264 0.7106 0.3180 C.3 1 UNL11111111 -0.2933 13 C -3.6121 -0.3348 -0.0282 C.3 1 UNL11111111 0.1306 14 C -3.4691 -1.5846 0.8541 C.3 1 UNL11111111 -0.4659 15 C -4.9882 0.3072 0.2361 C.3 1 UNL11111111 -0.4696 16 C -3.5257 -0.7363 -1.5080 C.3 1 UNL11111111 -0.4648 17 H 3.8059 0.6926 1.7992 H 1 UNL11111111 0.1436 18 H 3.5490 -1.0307 2.0935 H 1 UNL11111111 0.1435 19 H 5.0804 -0.4629 1.4214 H 1 UNL11111111 0.1461 20 H 5.1316 0.5082 -0.9929 H 1 UNL11111111 0.1437 21 H 3.6555 0.4930 -1.9674 H 1 UNL11111111 0.1503 22 H 3.7982 1.6027 -0.6091 H 1 UNL11111111 0.1504 23 H 3.4047 -2.6656 0.0851 H 1 UNL11111111 0.1422 24 H 3.4557 -2.0306 -1.5644 H 1 UNL11111111 0.1459 25 H 4.9072 -2.0039 -0.5628 H 1 UNL11111111 0.1460 26 H 1.5140 -0.6121 -1.0286 H 1 UNL11111111 0.1631 27 H 1.4791 -1.1484 0.6578 H 1 UNL11111111 0.1487 28 H -0.9473 -0.1310 -0.9245 H 1 UNL11111111 0.1626 29 H -0.9241 -0.7013 0.7531 H 1 UNL11111111 0.1482 30 H -2.6653 1.0425 1.3642 H 1 UNL11111111 0.1368 31 H -2.6789 1.6110 -0.3093 H 1 UNL11111111 0.1459 32 H -3.4606 -1.3232 1.9168 H 1 UNL11111111 0.1432 33 H -4.2996 -2.2796 0.6917 H 1 UNL11111111 0.1433 34 H -2.5446 -2.1290 0.6373 H 1 UNL11111111 0.1434 35 H -5.1362 1.2008 -0.3789 H 1 UNL11111111 0.1456 36 H -5.8010 -0.3883 0.0039 H 1 UNL11111111 0.1438 37 H -5.0980 0.6013 1.2845 H 1 UNL11111111 0.1425 38 H -2.5897 -1.2582 -1.7314 H 1 UNL11111111 0.1442 39 H -4.3462 -1.4060 -1.7855 H 1 UNL11111111 0.1435 40 H -3.5782 0.1406 -2.1624 H 1 UNL11111111 0.1477 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 9 10 1 10 6 9 1 11 9 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 13 15 1 16 13 16 1 17 1 17 1 18 1 18 1 19 1 19 1 20 3 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 4 25 1 26 5 26 1 27 5 27 1 28 11 28 1 29 11 29 1 30 12 30 1 31 12 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 38 16 38 1 39 16 39 1 40 16 40 1