@MOLECULE 2,2-dimethylpropyl cyclopentanecarboxylate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.0150 -1.1472 0.4699 C.3 1 UNL111111111 -0.2548 2 C -3.5202 -1.4217 0.3108 C.3 1 UNL111111111 -0.2601 3 C -4.1597 -0.1244 -0.2255 C.3 1 UNL111111111 -0.2612 4 C -3.0185 0.8795 -0.4679 C.3 1 UNL111111111 -0.2613 5 C -1.7246 0.0479 -0.4585 C.3 1 UNL111111111 -0.1782 6 C -0.5591 0.8431 0.0600 C.2 1 UNL111111111 0.5868 7 O -0.5699 1.8953 0.6452 O.2 1 UNL111111111 -0.5134 8 O 0.5894 0.1840 -0.2265 O.3 1 UNL111111111 -0.4321 9 C 1.8062 0.8055 0.2041 C.3 1 UNL111111111 -0.0435 10 C 2.9004 -0.2548 -0.0370 C.3 1 UNL111111111 0.1069 11 C 2.9222 -0.6395 -1.5212 C.3 1 UNL111111111 -0.4578 12 C 4.2478 0.3624 0.3652 C.3 1 UNL111111111 -0.4706 13 C 2.6115 -1.4914 0.8223 C.3 1 UNL111111111 -0.4580 14 H -1.7747 -0.8999 1.5195 H 1 UNL111111111 0.1457 15 H -1.4009 -2.0228 0.2085 H 1 UNL111111111 0.1417 16 H -3.6927 -2.2568 -0.3883 H 1 UNL111111111 0.1339 17 H -3.9720 -1.7243 1.2686 H 1 UNL111111111 0.1351 18 H -4.7154 -0.3206 -1.1570 H 1 UNL111111111 0.1328 19 H -4.8936 0.2817 0.4893 H 1 UNL111111111 0.1361 20 H -3.1434 1.4279 -1.4137 H 1 UNL111111111 0.1385 21 H -2.9965 1.6477 0.3301 H 1 UNL111111111 0.1623 22 H -1.4971 -0.3212 -1.4877 H 1 UNL111111111 0.1676 23 H 1.9544 1.7140 -0.4027 H 1 UNL111111111 0.1338 24 H 1.7169 1.0847 1.2676 H 1 UNL111111111 0.1389 25 H 3.1292 0.2256 -2.1594 H 1 UNL111111111 0.1436 26 H 3.6857 -1.3957 -1.7274 H 1 UNL111111111 0.1422 27 H 1.9543 -1.0516 -1.8344 H 1 UNL111111111 0.1574 28 H 4.2601 0.6575 1.4197 H 1 UNL111111111 0.1475 29 H 5.0647 -0.3530 0.2180 H 1 UNL111111111 0.1507 30 H 4.4806 1.2497 -0.2331 H 1 UNL111111111 0.1471 31 H 1.6312 -1.9189 0.5761 H 1 UNL111111111 0.1556 32 H 3.3615 -2.2722 0.6629 H 1 UNL111111111 0.1430 33 H 2.6053 -1.2493 1.8899 H 1 UNL111111111 0.1440 @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 1 11 10 11 1 12 10 12 1 13 10 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 9 23 1 24 9 24 1 25 11 25 1 26 11 26 1 27 11 27 1 28 12 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 13 33 1