@MOLECULE 1-cyclopentylhexan-1-one 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.6633 -0.5847 0.0126 C.3 1 UNL111111111 -0.4412 2 C 4.4069 0.1906 -0.3831 C.3 1 UNL111111111 -0.2502 3 C 3.1595 -0.4060 0.2829 C.3 1 UNL111111111 -0.2745 4 C 1.9074 0.3745 -0.1302 C.3 1 UNL111111111 -0.2496 5 C 0.6528 -0.2145 0.5209 C.3 1 UNL111111111 -0.3882 6 C -0.5744 0.5758 0.1348 C.2 1 UNL111111111 0.4598 7 O -0.4959 1.6252 -0.4513 O.2 1 UNL111111111 -0.4525 8 C -1.9041 -0.0257 0.5358 C.3 1 UNL111111111 -0.2178 9 C -3.0807 0.9443 0.3246 C.3 1 UNL111111111 -0.2592 10 C -4.2899 0.0823 -0.0845 C.3 1 UNL111111111 -0.2633 11 C -3.7649 -1.3442 -0.3388 C.3 1 UNL111111111 -0.2601 12 C -2.2298 -1.2493 -0.3432 C.3 1 UNL111111111 -0.2582 13 H 5.8304 -0.5529 1.0946 H 1 UNL111111111 0.1415 14 H 5.5933 -1.6380 -0.2796 H 1 UNL111111111 0.1411 15 H 6.5546 -0.1685 -0.4702 H 1 UNL111111111 0.1415 16 H 4.5145 1.2550 -0.0998 H 1 UNL111111111 0.1368 17 H 4.2887 0.1818 -1.4834 H 1 UNL111111111 0.1359 18 H 3.0566 -1.4709 0.0039 H 1 UNL111111111 0.1345 19 H 3.2763 -0.3898 1.3823 H 1 UNL111111111 0.1349 20 H 2.0078 1.4435 0.1468 H 1 UNL111111111 0.1542 21 H 1.7961 0.3727 -1.2322 H 1 UNL111111111 0.1475 22 H 0.5317 -1.2769 0.2324 H 1 UNL111111111 0.1622 23 H 0.7577 -0.2134 1.6245 H 1 UNL111111111 0.1655 24 H -1.8639 -0.3324 1.6060 H 1 UNL111111111 0.1522 25 H -3.2840 1.5350 1.2301 H 1 UNL111111111 0.1346 26 H -2.8410 1.6802 -0.4682 H 1 UNL111111111 0.1628 27 H -5.0623 0.0830 0.7008 H 1 UNL111111111 0.1314 28 H -4.7706 0.4916 -0.9885 H 1 UNL111111111 0.1358 29 H -4.1098 -2.0308 0.4523 H 1 UNL111111111 0.1325 30 H -4.1446 -1.7513 -1.2886 H 1 UNL111111111 0.1340 31 H -1.8567 -1.1021 -1.3729 H 1 UNL111111111 0.1444 32 H -1.7608 -2.1688 0.0364 H 1 UNL111111111 0.1317 @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 1 10 10 11 1 11 11 12 1 12 8 12 1 13 1 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 8 24 1 25 9 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 11 29 1 30 11 30 1 31 12 31 1 32 12 32 1