@MOLECULE (s)-2-cyclopentene-1-tridecanoic acid 52 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -10.0869 -0.6956 0.0586 O.3 1 UNL1111111111 -0.5755 2 O -9.1405 1.2497 -0.4670 O.2 1 UNL1111111111 -0.5056 3 C 7.3646 0.0390 0.5516 C.3 1 UNL1111111111 -0.1030 4 C 6.0743 0.7349 0.0990 C.3 1 UNL1111111111 -0.2849 5 C 7.7066 -1.2159 -0.3046 C.3 1 UNL1111111111 -0.2747 6 C 4.8384 -0.1038 0.4443 C.3 1 UNL1111111111 -0.2716 7 C 3.5565 0.6017 -0.0155 C.3 1 UNL1111111111 -0.2699 8 C 2.3232 -0.2401 0.3355 C.3 1 UNL1111111111 -0.2721 9 C 9.1353 -0.9819 -0.8586 C.3 1 UNL1111111111 -0.2736 10 C 1.0375 0.4792 -0.0910 C.3 1 UNL1111111111 -0.2734 11 C 8.5561 0.9482 0.3717 C.2 1 UNL1111111111 -0.1806 12 C -0.1954 -0.3611 0.2643 C.3 1 UNL1111111111 -0.2736 13 C -1.4832 0.3715 -0.1321 C.3 1 UNL1111111111 -0.2727 14 C 9.5096 0.3946 -0.3854 C.2 1 UNL1111111111 -0.1544 15 C -2.7157 -0.4708 0.2206 C.3 1 UNL1111111111 -0.2760 16 C -4.0032 0.2769 -0.1470 C.3 1 UNL1111111111 -0.2701 17 C -5.2367 -0.5665 0.1999 C.3 1 UNL1111111111 -0.2712 18 C -6.5209 0.1965 -0.1414 C.3 1 UNL1111111111 -0.2565 19 C -7.7525 -0.6519 0.1865 C.3 1 UNL1111111111 -0.3481 20 C -9.0011 0.1082 -0.1177 C.2 1 UNL1111111111 0.6470 21 H 7.2737 -0.2498 1.6237 H 1 UNL1111111111 0.1391 22 H 6.1146 0.9327 -0.9885 H 1 UNL1111111111 0.1441 23 H 6.0001 1.7285 0.5805 H 1 UNL1111111111 0.1396 24 H 7.6583 -2.1305 0.3020 H 1 UNL1111111111 0.1318 25 H 6.9861 -1.3452 -1.1261 H 1 UNL1111111111 0.1394 26 H 4.7986 -0.2878 1.5342 H 1 UNL1111111111 0.1368 27 H 4.9114 -1.1011 -0.0280 H 1 UNL1111111111 0.1372 28 H 3.4819 1.5988 0.4567 H 1 UNL1111111111 0.1369 29 H 3.5929 0.7838 -1.1056 H 1 UNL1111111111 0.1369 30 H 2.3864 -1.2287 -0.1565 H 1 UNL1111111111 0.1363 31 H 2.2997 -0.4434 1.4226 H 1 UNL1111111111 0.1360 32 H 9.8430 -1.7402 -0.4824 H 1 UNL1111111111 0.1429 33 H 9.1593 -1.0517 -1.9591 H 1 UNL1111111111 0.1425 34 H 0.9764 1.4681 0.4004 H 1 UNL1111111111 0.1369 35 H 1.0584 0.6815 -1.1782 H 1 UNL1111111111 0.1370 36 H 8.5654 1.9167 0.8347 H 1 UNL1111111111 0.1448 37 H -0.2038 -0.5815 1.3481 H 1 UNL1111111111 0.1364 38 H -0.1447 -1.3417 -0.2444 H 1 UNL1111111111 0.1362 39 H -1.4741 0.5952 -1.2153 H 1 UNL1111111111 0.1374 40 H -1.5341 1.3508 0.3796 H 1 UNL1111111111 0.1377 41 H 10.4557 0.8204 -0.6642 H 1 UNL1111111111 0.1431 42 H -2.6744 -1.4412 -0.3082 H 1 UNL1111111111 0.1360 43 H -2.7120 -0.7132 1.2997 H 1 UNL1111111111 0.1363 44 H -4.0426 1.2458 0.3860 H 1 UNL1111111111 0.1397 45 H -4.0026 0.5246 -1.2252 H 1 UNL1111111111 0.1391 46 H -5.2229 -0.8302 1.2743 H 1 UNL1111111111 0.1376 47 H -5.2032 -1.5259 -0.3497 H 1 UNL1111111111 0.1374 48 H -6.5594 1.1558 0.4137 H 1 UNL1111111111 0.1551 49 H -6.5276 0.4820 -1.2123 H 1 UNL1111111111 0.1521 50 H -7.7516 -0.9551 1.2568 H 1 UNL1111111111 0.1811 51 H -7.7399 -1.6074 -0.3827 H 1 UNL1111111111 0.1816 52 H -10.9474 -0.2475 -0.1242 H 1 UNL1111111111 0.3558 @BOND 1 1 20 1 2 1 52 1 3 2 20 2 4 3 4 1 5 3 5 1 6 3 11 1 7 3 21 1 8 4 6 1 9 4 22 1 10 4 23 1 11 5 9 1 12 5 24 1 13 5 25 1 14 6 7 1 15 6 26 1 16 6 27 1 17 7 8 1 18 7 28 1 19 7 29 1 20 8 10 1 21 8 30 1 22 8 31 1 23 9 14 1 24 9 32 1 25 9 33 1 26 10 12 1 27 10 34 1 28 10 35 1 29 11 14 2 30 11 36 1 31 12 13 1 32 12 37 1 33 12 38 1 34 13 15 1 35 13 39 1 36 13 40 1 37 14 41 1 38 15 16 1 39 15 42 1 40 15 43 1 41 16 17 1 42 16 44 1 43 16 45 1 44 17 18 1 45 17 46 1 46 17 47 1 47 18 19 1 48 18 48 1 49 18 49 1 50 19 20 1 51 19 50 1 52 19 51 1