@MOLECULE (2-cyclohexylacetyl) hexanoate 41 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C 7.7570 -0.2919 0.3839 C.3 1 UNL11111111 -0.4433 2 C 6.4699 0.4605 0.0475 C.3 1 UNL11111111 -0.2481 3 C 5.2360 -0.3896 0.3806 C.3 1 UNL11111111 -0.2696 4 C 3.9521 0.3689 0.0284 C.3 1 UNL11111111 -0.2587 5 C 2.7180 -0.4740 0.3626 C.3 1 UNL11111111 -0.3520 6 C 1.4779 0.2495 -0.0583 C.2 1 UNL11111111 0.6435 7 O 1.3335 1.3888 -0.3842 O.2 1 UNL11111111 -0.4336 8 O 0.4062 -0.6126 0.0610 O.3 1 UNL11111111 -0.5644 9 C -0.7550 -0.4484 -0.6671 C.2 1 UNL11111111 0.6463 10 O -0.7617 0.1327 -1.7102 O.2 1 UNL11111111 -0.4358 11 C -1.8614 -1.1810 0.0223 C.3 1 UNL11111111 -0.3763 12 C -3.2012 -0.4618 -0.2210 C.3 1 UNL11111111 -0.0773 13 C -4.3590 -1.3549 0.2567 C.3 1 UNL11111111 -0.2775 14 C -5.7011 -0.6491 0.0202 C.3 1 UNL11111111 -0.2614 15 C -5.7364 0.7013 0.7480 C.3 1 UNL11111111 -0.2659 16 C -4.5735 1.5896 0.2875 C.3 1 UNL11111111 -0.2572 17 C -3.2307 0.8857 0.5202 C.3 1 UNL11111111 -0.2820 18 H 7.8202 -0.5226 1.4530 H 1 UNL11111111 0.1418 19 H 7.8231 -1.2397 -0.1620 H 1 UNL11111111 0.1425 20 H 8.6423 0.2990 0.1230 H 1 UNL11111111 0.1426 21 H 6.4343 1.4160 0.6048 H 1 UNL11111111 0.1364 22 H 6.4630 0.7359 -1.0245 H 1 UNL11111111 0.1375 23 H 5.2794 -1.3467 -0.1725 H 1 UNL11111111 0.1376 24 H 5.2425 -0.6581 1.4532 H 1 UNL11111111 0.1363 25 H 3.9119 1.3351 0.5707 H 1 UNL11111111 0.1543 26 H 3.9499 0.6390 -1.0471 H 1 UNL11111111 0.1543 27 H 2.7700 -1.4673 -0.1335 H 1 UNL11111111 0.1800 28 H 2.6708 -0.6961 1.4507 H 1 UNL11111111 0.1794 29 H -1.9011 -2.2216 -0.3667 H 1 UNL11111111 0.1791 30 H -1.6610 -1.2808 1.1099 H 1 UNL11111111 0.1816 31 H -3.3179 -0.2713 -1.3176 H 1 UNL11111111 0.1558 32 H -4.3437 -2.3228 -0.2757 H 1 UNL11111111 0.1308 33 H -4.2427 -1.5897 1.3307 H 1 UNL11111111 0.1376 34 H -5.8635 -0.4977 -1.0637 H 1 UNL11111111 0.1384 35 H -6.5320 -1.2897 0.3663 H 1 UNL11111111 0.1276 36 H -6.6999 1.2089 0.5618 H 1 UNL11111111 0.1288 37 H -5.6809 0.5431 1.8409 H 1 UNL11111111 0.1343 38 H -4.6881 1.8391 -0.7845 H 1 UNL11111111 0.1406 39 H -4.5932 2.5537 0.8278 H 1 UNL11111111 0.1325 40 H -3.0653 0.7340 1.6021 H 1 UNL11111111 0.1373 41 H -2.4034 1.5321 0.1683 H 1 UNL11111111 0.1462 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 11 12 1 12 12 13 1 13 13 14 1 14 14 15 1 15 15 16 1 16 16 17 1 17 12 17 1 18 1 18 1 19 1 19 1 20 1 20 1 21 2 21 1 22 2 22 1 23 3 23 1 24 3 24 1 25 4 25 1 26 4 26 1 27 5 27 1 28 5 28 1 29 11 29 1 30 11 30 1 31 12 31 1 32 13 32 1 33 13 33 1 34 14 34 1 35 14 35 1 36 15 36 1 37 15 37 1 38 16 38 1 39 16 39 1 40 17 40 1 41 17 41 1