@MOLECULE (2-cyclohexylacetyl) cyclopentanecarboxylate 39 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5716 -1.1991 0.2739 C.3 1 UNL1111111 -0.2530 2 C -5.0931 -1.3191 0.0981 C.3 1 UNL1111111 -0.2628 3 C -5.6035 0.0938 -0.2467 C.3 1 UNL1111111 -0.2600 4 C -4.3737 0.9534 -0.5959 C.3 1 UNL1111111 -0.2643 5 C -3.1692 -0.0050 -0.6130 C.3 1 UNL1111111 -0.1795 6 C -1.9301 0.6543 -0.0813 C.2 1 UNL1111111 0.6230 7 O -1.7713 1.7608 0.3370 O.2 1 UNL1111111 -0.4313 8 O -0.8842 -0.2346 -0.2150 O.3 1 UNL1111111 -0.5590 9 C 0.2784 -0.1414 0.5214 C.2 1 UNL1111111 0.6425 10 O 0.3282 0.4551 1.5542 O.2 1 UNL1111111 -0.4329 11 C 1.3232 -0.9706 -0.1566 C.3 1 UNL1111111 -0.3742 12 C 2.7279 -0.4599 0.2068 C.3 1 UNL1111111 -0.0788 13 C 3.7832 -1.4762 -0.2623 C.3 1 UNL1111111 -0.2781 14 C 5.1918 -0.9795 0.0905 C.3 1 UNL1111111 -0.2614 15 C 5.4539 0.3964 -0.5356 C.3 1 UNL1111111 -0.2661 16 C 4.3932 1.4045 -0.0748 C.3 1 UNL1111111 -0.2574 17 C 2.9874 0.9114 -0.4395 C.3 1 UNL1111111 -0.2811 18 H -3.3148 -1.0129 1.3328 H 1 UNL1111111 0.1487 19 H -3.0411 -2.1193 -0.0161 H 1 UNL1111111 0.1431 20 H -5.3370 -2.0281 -0.7112 H 1 UNL1111111 0.1340 21 H -5.5737 -1.7129 1.0073 H 1 UNL1111111 0.1368 22 H -6.3162 0.0593 -1.0860 H 1 UNL1111111 0.1327 23 H -6.1540 0.5307 0.6033 H 1 UNL1111111 0.1384 24 H -4.4941 1.4643 -1.5640 H 1 UNL1111111 0.1400 25 H -4.2331 1.7561 0.1537 H 1 UNL1111111 0.1617 26 H -2.9757 -0.3608 -1.6548 H 1 UNL1111111 0.1704 27 H 1.1987 -2.0298 0.1560 H 1 UNL1111111 0.1788 28 H 1.1780 -0.9722 -1.2575 H 1 UNL1111111 0.1817 29 H 2.7990 -0.3510 1.3183 H 1 UNL1111111 0.1553 30 H 3.6042 -2.4598 0.2079 H 1 UNL1111111 0.1303 31 H 3.7036 -1.6341 -1.3532 H 1 UNL1111111 0.1374 32 H 5.3078 -0.9210 1.1891 H 1 UNL1111111 0.1381 33 H 5.9470 -1.7067 -0.2573 H 1 UNL1111111 0.1275 34 H 6.4631 0.7526 -0.2613 H 1 UNL1111111 0.1287 35 H 5.4475 0.3182 -1.6384 H 1 UNL1111111 0.1343 36 H 4.4668 1.5584 1.0189 H 1 UNL1111111 0.1407 37 H 4.5800 2.3918 -0.5341 H 1 UNL1111111 0.1322 38 H 2.8800 0.8483 -1.5373 H 1 UNL1111111 0.1368 39 H 2.2309 1.6432 -0.0955 H 1 UNL1111111 0.1468 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 5 1 6 5 6 1 7 6 7 2 8 6 8 1 9 8 9 1 10 9 10 2 11 9 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 14 15 1 16 15 16 1 17 16 17 1 18 12 17 1 19 1 18 1 20 1 19 1 21 2 20 1 22 2 21 1 23 3 22 1 24 3 23 1 25 4 24 1 26 4 25 1 27 5 26 1 28 11 27 1 29 11 28 1 30 12 29 1 31 13 30 1 32 13 31 1 33 14 32 1 34 14 33 1 35 15 34 1 36 15 35 1 37 16 36 1 38 16 37 1 39 17 38 1 40 17 39 1