@MOLECULE 13-phenyltridecanoic acid 51 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -9.2017 -1.7496 0.7665 O.3 1 UNL1111111111 -0.5769 2 O -8.0712 -1.4025 -1.1184 O.2 1 UNL1111111111 -0.5046 3 C -0.7038 0.3091 0.1796 C.3 1 UNL1111111111 -0.2725 4 C -1.9774 1.0300 -0.2802 C.3 1 UNL1111111111 -0.2735 5 C 0.5417 0.9706 -0.4238 C.3 1 UNL1111111111 -0.2747 6 C -3.2199 0.3686 0.3287 C.3 1 UNL1111111111 -0.2721 7 C 1.8144 0.2466 0.0327 C.3 1 UNL1111111111 -0.2716 8 C -4.5013 1.0614 -0.1519 C.3 1 UNL1111111111 -0.2707 9 C 3.0604 0.9092 -0.5687 C.3 1 UNL1111111111 -0.2702 10 C -5.7356 0.3740 0.4457 C.3 1 UNL1111111111 -0.2736 11 C 4.3297 0.1844 -0.1076 C.3 1 UNL1111111111 -0.2599 12 C -7.0196 1.0639 -0.0314 C.3 1 UNL1111111111 -0.2554 13 C 5.5818 0.8423 -0.7100 C.3 1 UNL1111111111 -0.2937 14 C -8.2652 0.3829 0.5427 C.3 1 UNL1111111111 -0.3475 15 C 6.8053 0.1154 -0.2431 C.ar 1 UNL1111111111 0.0227 16 C 7.4479 0.5076 0.9334 C.ar 1 UNL1111111111 -0.1824 17 C 7.2981 -0.9689 -0.9725 C.ar 1 UNL1111111111 -0.1821 18 C -8.4556 -0.9691 -0.0655 C.2 1 UNL1111111111 0.6497 19 C 8.5760 -0.1799 1.3750 C.ar 1 UNL1111111111 -0.1342 20 C 8.4260 -1.6547 -0.5283 C.ar 1 UNL1111111111 -0.1340 21 C 9.0667 -1.2615 0.6455 C.ar 1 UNL1111111111 -0.1680 22 H -0.7456 -0.7568 -0.1131 H 1 UNL1111111111 0.1382 23 H -0.6404 0.3184 1.2836 H 1 UNL1111111111 0.1361 24 H -1.9347 2.0967 0.0070 H 1 UNL1111111111 0.1347 25 H -2.0426 1.0150 -1.3842 H 1 UNL1111111111 0.1380 26 H 0.5849 2.0356 -0.1292 H 1 UNL1111111111 0.1354 27 H 0.4766 0.9636 -1.5278 H 1 UNL1111111111 0.1367 28 H -3.2475 -0.7033 0.0575 H 1 UNL1111111111 0.1404 29 H -3.1628 0.4013 1.4325 H 1 UNL1111111111 0.1352 30 H 1.7712 -0.8183 -0.2636 H 1 UNL1111111111 0.1381 31 H 1.8778 0.2518 1.1369 H 1 UNL1111111111 0.1373 32 H -4.4844 2.1304 0.1281 H 1 UNL1111111111 0.1340 33 H -4.5531 1.0355 -1.2574 H 1 UNL1111111111 0.1412 34 H 2.9976 0.9009 -1.6729 H 1 UNL1111111111 0.1368 35 H 3.1026 1.9743 -0.2744 H 1 UNL1111111111 0.1362 36 H -5.7489 -0.6937 0.1484 H 1 UNL1111111111 0.1489 37 H -5.6803 0.3850 1.5496 H 1 UNL1111111111 0.1361 38 H 4.2896 -0.8825 -0.3984 H 1 UNL1111111111 0.1419 39 H 4.3963 0.1917 0.9969 H 1 UNL1111111111 0.1415 40 H -7.0090 2.1309 0.2625 H 1 UNL1111111111 0.1418 41 H -7.0606 1.0523 -1.1409 H 1 UNL1111111111 0.1583 42 H 5.5174 0.8391 -1.8166 H 1 UNL1111111111 0.1493 43 H 5.6234 1.9124 -0.4240 H 1 UNL1111111111 0.1490 44 H -8.2009 0.3072 1.6505 H 1 UNL1111111111 0.1827 45 H -9.1719 0.9970 0.3473 H 1 UNL1111111111 0.1770 46 H 7.0659 1.3493 1.5063 H 1 UNL1111111111 0.1515 47 H 6.7989 -1.2794 -1.8876 H 1 UNL1111111111 0.1518 48 H 9.0744 0.1283 2.2920 H 1 UNL1111111111 0.1469 49 H 8.8073 -2.4990 -1.0990 H 1 UNL1111111111 0.1471 50 H 9.9474 -1.7972 0.9909 H 1 UNL1111111111 0.1483 51 H -9.3752 -2.6551 0.4142 H 1 UNL1111111111 0.3550 @BOND 1 1 18 1 2 1 51 1 3 2 18 2 4 3 4 1 5 3 5 1 6 3 22 1 7 3 23 1 8 4 6 1 9 4 24 1 10 4 25 1 11 5 7 1 12 5 26 1 13 5 27 1 14 6 8 1 15 6 28 1 16 6 29 1 17 7 9 1 18 7 30 1 19 7 31 1 20 8 10 1 21 8 32 1 22 8 33 1 23 9 11 1 24 9 34 1 25 9 35 1 26 10 12 1 27 10 36 1 28 10 37 1 29 11 13 1 30 11 38 1 31 11 39 1 32 12 14 1 33 12 40 1 34 12 41 1 35 13 15 1 36 13 42 1 37 13 43 1 38 14 18 1 39 14 44 1 40 14 45 1 41 15 16 ar 42 15 17 ar 43 16 19 ar 44 16 46 1 45 17 20 ar 46 17 47 1 47 19 21 ar 48 19 48 1 49 20 21 ar 50 20 49 1 51 21 50 1