@MOLECULE (2S,3R)-2-isohexyl-3-propyl-oxirane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.0454 1.7103 0.4011 C.3 1 UNL11111111 -0.8979 2 C 4.4781 0.3558 -0.0226 C.3 1 UNL11111111 -0.1396 3 C 2.9444 0.3893 -0.0267 C.3 1 UNL11111111 -0.2421 4 C 2.3657 -0.9405 -0.4356 C.3 1 UNL11111111 -0.2462 5 H 3.0298 -1.5853 -1.0198 H 1 UNL11111111 0.1792 6 O 1.6365 -1.6413 0.5786 O.3 1 UNL11111111 -0.0850 7 C 0.8855 -1.1393 -0.5328 C.3 1 UNL11111111 -0.1784 8 H 0.4948 -1.9252 -1.1873 H 1 UNL11111111 0.1746 9 C -0.0724 -0.0173 -0.2241 C.3 1 UNL11111111 -0.3299 10 C -1.5284 -0.4788 -0.3665 C.3 1 UNL11111111 -0.2408 11 C -2.4891 0.6491 0.0291 C.3 1 UNL11111111 -0.6517 12 C -3.9578 0.2625 -0.2305 C.3 1 UNL11111111 0.3647 13 C -4.4397 -0.7807 0.7839 C.3 1 UNL11111111 -0.9598 14 C -4.8417 1.5148 -0.1514 C.3 1 UNL11111111 -0.9958 15 H 4.7259 2.5101 -0.2759 H 1 UNL11111111 0.2371 16 H 4.7208 1.9832 1.4119 H 1 UNL11111111 0.2650 17 H 6.1411 1.6986 0.4015 H 1 UNL11111111 0.2541 18 H 4.8573 0.0842 -1.0258 H 1 UNL11111111 0.1381 19 H 4.8361 -0.4366 0.6635 H 1 UNL11111111 0.1636 20 H 2.5743 0.6677 0.9830 H 1 UNL11111111 0.1791 21 H 2.5848 1.1850 -0.7091 H 1 UNL11111111 0.1379 22 H 0.1040 0.3554 0.8072 H 1 UNL11111111 0.1864 23 H 0.1220 0.8423 -0.8958 H 1 UNL11111111 0.1652 24 H -1.7271 -0.8004 -1.4059 H 1 UNL11111111 0.1553 25 H -1.7042 -1.3681 0.2693 H 1 UNL11111111 0.2001 26 H -2.3513 0.9106 1.0947 H 1 UNL11111111 0.2562 27 H -2.2419 1.5650 -0.5399 H 1 UNL11111111 0.2027 28 H -4.0421 -0.1674 -1.2577 H 1 UNL11111111 0.0955 29 H -3.8550 -1.7045 0.7167 H 1 UNL11111111 0.2554 30 H -4.3523 -0.4106 1.8112 H 1 UNL11111111 0.2949 31 H -5.4894 -1.0428 0.6157 H 1 UNL11111111 0.2623 32 H -4.5556 2.2543 -0.9062 H 1 UNL11111111 0.2442 33 H -5.8954 1.2669 -0.3176 H 1 UNL11111111 0.2714 34 H -4.7686 1.9957 0.8297 H 1 UNL11111111 0.2844 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 4 6 1 6 6 7 1 7 7 8 1 8 4 7 1 9 7 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 12 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 9 22 1 23 9 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 13 31 1 32 14 32 1 33 14 33 1 34 14 34 1