@MOLECULE hexanoyl cyclopentanecarboxylate 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.0177 -1.2865 0.6747 C.3 1 UNL11111111 -0.2542 2 C -4.4705 -1.7491 0.4846 C.3 1 UNL11111111 -0.2623 3 C -5.2062 -0.5870 -0.2101 C.3 1 UNL11111111 -0.2595 4 C -4.1319 0.3784 -0.7476 C.3 1 UNL11111111 -0.2650 5 C -2.7719 -0.2904 -0.4755 C.3 1 UNL11111111 -0.1769 6 C -1.7332 0.7193 -0.0697 C.2 1 UNL11111111 0.6142 7 O -1.8717 1.8373 0.3212 O.2 1 UNL11111111 -0.4212 8 O -0.5022 0.1158 -0.2092 O.3 1 UNL11111111 -0.5589 9 C 0.7046 0.7230 0.0644 C.2 1 UNL11111111 0.6309 10 O 0.8063 1.8617 0.4027 O.2 1 UNL11111111 -0.4211 11 C 1.7758 -0.3035 -0.1530 C.3 1 UNL11111111 -0.3484 12 C 3.1551 0.3318 0.0403 C.3 1 UNL11111111 -0.2595 13 C 4.2592 -0.7166 -0.1319 C.3 1 UNL11111111 -0.2705 14 C 5.6422 -0.0765 0.0506 C.3 1 UNL11111111 -0.2481 15 C 6.7503 -1.1168 -0.1095 C.3 1 UNL11111111 -0.4433 16 H -2.8919 -0.7985 1.6584 H 1 UNL11111111 0.1479 17 H -2.3047 -2.1249 0.6483 H 1 UNL11111111 0.1420 18 H -4.5106 -2.6613 -0.1345 H 1 UNL11111111 0.1342 19 H -4.9404 -2.0089 1.4461 H 1 UNL11111111 0.1365 20 H -5.8517 -0.9578 -1.0219 H 1 UNL11111111 0.1331 21 H -5.8728 -0.0670 0.4986 H 1 UNL11111111 0.1388 22 H -4.2694 0.5850 -1.8205 H 1 UNL11111111 0.1396 23 H -4.2039 1.3587 -0.2373 H 1 UNL11111111 0.1627 24 H -2.4270 -0.8423 -1.3832 H 1 UNL11111111 0.1698 25 H 1.6277 -1.1535 0.5472 H 1 UNL11111111 0.1783 26 H 1.6809 -0.7443 -1.1686 H 1 UNL11111111 0.1787 27 H 3.2971 1.1637 -0.6785 H 1 UNL11111111 0.1528 28 H 3.2232 0.8006 1.0428 H 1 UNL11111111 0.1553 29 H 4.1263 -1.5371 0.5978 H 1 UNL11111111 0.1367 30 H 4.1910 -1.1856 -1.1311 H 1 UNL11111111 0.1364 31 H 5.7822 0.7401 -0.6831 H 1 UNL11111111 0.1368 32 H 5.7117 0.3986 1.0479 H 1 UNL11111111 0.1373 33 H 6.6597 -1.9184 0.6320 H 1 UNL11111111 0.1421 34 H 6.7261 -1.5811 -1.1015 H 1 UNL11111111 0.1420 35 H 7.7404 -0.6642 0.0164 H 1 UNL11111111 0.1427 @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 1 16 1 17 1 17 1 18 2 18 1 19 2 19 1 20 3 20 1 21 3 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1 33 15 33 1 34 15 34 1 35 15 35 1