@MOLECULE pentyl cyclopentanecarboxylate 33 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.5067 -1.2463 0.4619 C.3 1 UNL11111111 -0.2550 2 C -4.0154 -1.5270 0.3574 C.3 1 UNL11111111 -0.2610 3 C -4.6800 -0.2316 -0.1513 C.3 1 UNL11111111 -0.2602 4 C -3.5521 0.7727 -0.4492 C.3 1 UNL11111111 -0.2625 5 C -2.2533 -0.0515 -0.4779 C.3 1 UNL11111111 -0.1789 6 C -1.0764 0.7533 -0.0025 C.2 1 UNL11111111 0.5917 7 O -1.0716 1.8204 0.5548 O.2 1 UNL11111111 -0.5126 8 O 0.0683 0.0869 -0.2939 O.3 1 UNL11111111 -0.4431 9 C 1.2950 0.7134 0.1063 C.3 1 UNL11111111 -0.0099 10 C 2.3616 -0.3307 -0.2203 C.3 1 UNL11111111 -0.3006 11 C 3.7524 0.2188 0.1088 C.3 1 UNL11111111 -0.2686 12 C 4.8334 -0.8300 -0.1869 C.3 1 UNL11111111 -0.2473 13 C 6.2248 -0.2751 0.1177 C.3 1 UNL11111111 -0.4401 14 H -2.2283 -0.9977 1.5017 H 1 UNL11111111 0.1453 15 H -1.9002 -2.1210 0.1794 H 1 UNL11111111 0.1431 16 H -4.2092 -2.3612 -0.3374 H 1 UNL11111111 0.1343 17 H -4.4293 -1.8346 1.3307 H 1 UNL11111111 0.1356 18 H -5.2799 -0.4299 -1.0547 H 1 UNL11111111 0.1331 19 H -5.3790 0.1761 0.5970 H 1 UNL11111111 0.1363 20 H -3.7159 1.3076 -1.3969 H 1 UNL11111111 0.1390 21 H -3.5045 1.5517 0.3370 H 1 UNL11111111 0.1623 22 H -2.0561 -0.4223 -1.5131 H 1 UNL11111111 0.1686 23 H 1.4108 1.6452 -0.4731 H 1 UNL11111111 0.1338 24 H 1.2427 0.9535 1.1823 H 1 UNL11111111 0.1363 25 H 2.1638 -1.2619 0.3450 H 1 UNL11111111 0.1519 26 H 2.2956 -0.6160 -1.2883 H 1 UNL11111111 0.1531 27 H 3.9504 1.1375 -0.4755 H 1 UNL11111111 0.1399 28 H 3.8034 0.5196 1.1724 H 1 UNL11111111 0.1398 29 H 4.6503 -1.7425 0.4115 H 1 UNL11111111 0.1345 30 H 4.7761 -1.1463 -1.2455 H 1 UNL11111111 0.1347 31 H 6.4539 0.5968 -0.5052 H 1 UNL11111111 0.1430 32 H 6.3130 0.0354 1.1648 H 1 UNL11111111 0.1432 33 H 7.0017 -1.0248 -0.0687 H 1 UNL11111111 0.1402 @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 11 12 1 13 12 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 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1 33 13 33 1