@MOLECULE 6-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)cyclopropyl]nicotinic acid 56 59 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.4410 0.9874 -0.7195 O.3 1 UNL1 -0.5646 2 O -5.5274 2.7730 0.2485 O.2 1 UNL1 -0.5012 3 N -3.1920 -1.3859 -0.2611 N.ar 1 UNL1 -0.4235 4 C -0.9121 -1.8238 0.4653 C.3 1 UNL1 -0.0442 5 C -0.8933 -2.7701 1.6616 C.3 1 UNL1 -0.3062 6 C -1.0949 -3.3236 0.2801 C.3 1 UNL1 -0.2805 7 C 0.3451 -1.1860 0.0018 C.ar 1 UNL1 -0.0606 8 C 3.2809 0.5716 1.6475 C.3 1 UNL1 0.1036 9 C 3.9193 0.8479 -1.3143 C.3 1 UNL1 0.0954 10 C 2.3930 0.0099 0.5591 C.ar 1 UNL1 -0.0440 11 C 2.6874 0.1318 -0.8034 C.ar 1 UNL1 -0.0033 12 C 4.6762 0.9337 1.0994 C.3 1 UNL1 -0.2928 13 C 4.5683 1.7078 -0.2107 C.3 1 UNL1 -0.2906 14 C -2.0775 -0.9051 0.3346 C.ar 1 UNL1 0.2593 15 C 1.2137 -0.6349 0.9406 C.ar 1 UNL1 -0.1665 16 C 0.6566 -1.1007 -1.3597 C.ar 1 UNL1 0.0438 17 C 1.8249 -0.4437 -1.7411 C.ar 1 UNL1 -0.2055 18 C 3.4827 -0.4691 2.7673 C.3 1 UNL1 -0.4622 19 C 2.5982 1.8231 2.2292 C.3 1 UNL1 -0.4544 20 C 4.9175 -0.2111 -1.8161 C.3 1 UNL1 -0.4564 21 C 3.5470 1.7934 -2.4736 C.3 1 UNL1 -0.4616 22 C -1.9972 0.4164 0.8142 C.ar 1 UNL1 -0.2751 23 C -0.2227 -1.6985 -2.4037 C.3 1 UNL1 -0.4545 24 C -3.0963 1.2500 0.6696 C.ar 1 UNL1 -0.0024 25 C -4.2557 -0.5781 -0.4018 C.ar 1 UNL1 0.1411 26 C -4.2494 0.7502 0.0527 C.ar 1 UNL1 -0.2637 27 C -5.4098 1.6258 -0.0997 C.2 1 UNL1 0.6574 28 H 0.0446 -2.9457 2.1829 H 1 UNL1 0.1640 29 H -1.7223 -2.7561 2.3643 H 1 UNL1 0.1614 30 H -2.0729 -3.7028 -0.0181 H 1 UNL1 0.1774 31 H -0.3033 -3.8934 -0.1992 H 1 UNL1 0.1609 32 H 5.2682 0.0112 0.9441 H 1 UNL1 0.1436 33 H 5.2338 1.5247 1.8484 H 1 UNL1 0.1369 34 H 3.9738 2.6288 -0.0557 H 1 UNL1 0.1440 35 H 5.5678 2.0475 -0.5379 H 1 UNL1 0.1375 36 H 0.9605 -0.7096 1.9989 H 1 UNL1 0.1575 37 H 2.0666 -0.3784 -2.8017 H 1 UNL1 0.1588 38 H 3.8013 -1.4328 2.3550 H 1 UNL1 0.1491 39 H 4.2464 -0.1393 3.4789 H 1 UNL1 0.1444 40 H 2.5646 -0.6409 3.3376 H 1 UNL1 0.1467 41 H 2.4123 2.5697 1.4487 H 1 UNL1 0.1497 42 H 1.6309 1.5771 2.6801 H 1 UNL1 0.1473 43 H 3.2165 2.2913 3.0005 H 1 UNL1 0.1423 44 H 5.1916 -0.9070 -1.0153 H 1 UNL1 0.1491 45 H 4.4914 -0.8073 -2.6302 H 1 UNL1 0.1477 46 H 5.8365 0.2526 -2.1871 H 1 UNL1 0.1455 47 H 3.2578 1.2432 -3.3746 H 1 UNL1 0.1471 48 H 2.7057 2.4397 -2.1988 H 1 UNL1 0.1512 49 H 4.3907 2.4358 -2.7456 H 1 UNL1 0.1457 50 H -1.0779 0.7710 1.2779 H 1 UNL1 0.1862 51 H -1.2912 -1.6124 -2.1489 H 1 UNL1 0.1724 52 H -0.0903 -1.2293 -3.3868 H 1 UNL1 0.1540 53 H -0.0156 -2.7732 -2.5194 H 1 UNL1 0.1619 54 H -3.0718 2.2846 1.0271 H 1 UNL1 0.1796 55 H -5.1350 -1.0185 -0.8963 H 1 UNL1 0.1915 56 H -7.2394 1.5603 -0.8351 H 1 UNL1 0.3598 @BOND 1 52 23 1 2 47 21 1 3 37 17 1 4 49 21 1 5 45 20 1 6 53 23 1 7 21 48 1 8 21 9 1 9 23 51 1 10 23 16 1 11 46 20 1 12 20 9 1 13 20 44 1 14 17 16 ar 15 17 11 ar 16 16 7 ar 17 9 11 1 18 9 13 1 19 55 25 1 20 56 1 1 21 11 10 ar 22 1 27 1 23 35 13 1 24 25 3 ar 25 25 26 ar 26 3 14 ar 27 13 34 1 28 13 12 1 29 31 6 1 30 27 26 1 31 27 2 2 32 30 6 1 33 7 4 1 34 7 15 ar 35 26 24 ar 36 6 4 1 37 6 5 1 38 14 4 1 39 14 22 ar 40 4 5 1 41 10 15 ar 42 10 8 1 43 24 22 ar 44 24 54 1 45 22 50 1 46 15 36 1 47 32 12 1 48 12 8 1 49 12 33 1 50 41 19 1 51 8 19 1 52 8 18 1 53 5 28 1 54 5 29 1 55 19 42 1 56 19 43 1 57 38 18 1 58 18 40 1 59 18 39 1