@MOLECULE 9-(3,4,5-triphenyl-1h-pyrazol-1-yl)nonanoic acid 62 65 0 0 0 SMALL USER_CHARGES @ATOM 1 O -5.3596 -2.0598 1.1761 O.co2 1 UNL111111 -0.7886 2 O -4.7640 -1.9743 -0.9539 O.co2 1 UNL111111 -0.8070 3 N 0.8906 1.6347 0.8230 N.ar 1 UNL111111 -0.0694 4 N 2.1985 1.9990 0.7275 N.ar 1 UNL111111 -0.2500 5 C -2.1980 3.7790 0.2616 C.3 1 UNL111111 -0.2571 6 C -1.0051 2.8939 -0.1152 C.3 1 UNL111111 -0.3002 7 C -3.1398 3.9953 -0.9327 C.3 1 UNL111111 -0.2673 8 C -0.1300 2.6431 1.1232 C.3 1 UNL111111 -0.0772 9 C -3.7430 2.6893 -1.4665 C.3 1 UNL111111 -0.2674 10 C -4.6669 2.0033 -0.4512 C.3 1 UNL111111 -0.2705 11 C 0.7112 0.3094 0.5436 C.ar 1 UNL111111 0.1621 12 C 1.9943 -0.2212 0.2232 C.ar 1 UNL111111 -0.3156 13 C -5.2938 0.7520 -1.0853 C.3 1 UNL111111 -0.2572 14 C 2.8950 0.8930 0.3632 C.ar 1 UNL111111 0.0966 15 C -0.5336 -0.4285 0.5654 C.ar 1 UNL111111 -0.1412 16 C 2.2482 -1.5584 -0.1893 C.ar 1 UNL111111 0.1050 17 C -5.9980 -0.1295 -0.0540 C.3 1 UNL111111 -0.4061 18 C 4.3347 0.9120 0.1991 C.ar 1 UNL111111 -0.0319 19 C -1.1423 -0.7342 1.7844 C.ar 1 UNL111111 -0.1521 20 C -1.0356 -0.9422 -0.6391 C.ar 1 UNL111111 -0.1690 21 C 1.4599 -2.6072 0.3475 C.ar 1 UNL111111 -0.0796 22 C 3.2358 -1.8379 -1.1593 C.ar 1 UNL111111 -0.1100 23 C 4.9278 2.0103 -0.4711 C.ar 1 UNL111111 -0.1312 24 C 5.0928 -0.1698 0.7356 C.ar 1 UNL111111 -0.1017 25 C -5.3218 -1.5161 0.0591 C.2 1 UNL111111 0.7370 26 C -2.1893 -1.6530 1.8082 C.ar 1 UNL111111 -0.1544 27 C -2.0771 -1.8582 -0.6030 C.ar 1 UNL111111 -0.1154 28 C 1.6048 -3.9488 -0.0742 C.ar 1 UNL111111 -0.2058 29 C 3.4526 -3.1542 -1.6349 C.ar 1 UNL111111 -0.2162 30 C -2.6185 -2.2514 0.6250 C.ar 1 UNL111111 -0.0248 31 C 6.3226 2.1223 -0.6928 C.ar 1 UNL111111 -0.0864 32 C 6.4075 0.0425 0.4494 C.ar 1 UNL111111 -0.0894 33 C 2.5804 -3.9421 -0.9931 C.ar 1 UNL111111 0.4047 34 C 6.9254 1.0203 -0.1603 C.ar 1 UNL111111 -0.0432 35 H -1.8425 4.7565 0.6350 H 1 UNL111111 0.1267 36 H -2.7662 3.3174 1.0948 H 1 UNL111111 0.1512 37 H -0.4180 3.3540 -0.9309 H 1 UNL111111 0.1487 38 H -1.3775 1.9247 -0.5178 H 1 UNL111111 0.1750 39 H -2.5998 4.5124 -1.7468 H 1 UNL111111 0.1242 40 H -3.9566 4.6827 -0.6361 H 1 UNL111111 0.1363 41 H -0.7519 2.2661 1.9726 H 1 UNL111111 0.1685 42 H 0.3672 3.5840 1.4589 H 1 UNL111111 0.1731 43 H -4.3068 2.8978 -2.3955 H 1 UNL111111 0.1337 44 H -2.9411 1.9847 -1.7603 H 1 UNL111111 0.1329 45 H -5.4564 2.6971 -0.1160 H 1 UNL111111 0.1283 46 H -4.1016 1.7148 0.4540 H 1 UNL111111 0.1358 47 H -4.5064 0.1552 -1.5970 H 1 UNL111111 0.1655 48 H -5.9985 1.0442 -1.8804 H 1 UNL111111 0.1222 49 H -6.0136 0.3315 0.9450 H 1 UNL111111 0.1453 50 H -7.0496 -0.3077 -0.3275 H 1 UNL111111 0.1450 51 H -0.7943 -0.2726 2.7039 H 1 UNL111111 0.1453 52 H -0.6164 -0.6185 -1.5879 H 1 UNL111111 0.1441 53 H 0.7008 -2.3896 1.1235 H 1 UNL111111 0.2445 54 H 3.8429 -1.0282 -1.5811 H 1 UNL111111 0.2157 55 H 4.2797 2.8186 -0.8195 H 1 UNL111111 0.1835 56 H 4.6565 -0.9795 1.2947 H 1 UNL111111 0.1675 57 H -2.7048 -1.8935 2.7400 H 1 UNL111111 0.1755 58 H -2.5250 -2.2499 -1.5234 H 1 UNL111111 0.1976 59 H 0.9865 -4.7602 0.3117 H 1 UNL111111 0.2493 60 H 4.2073 -3.3967 -2.3804 H 1 UNL111111 0.2372 61 H -3.4359 -2.9949 0.6490 H 1 UNL111111 0.2310 62 H 6.7821 2.9614 -1.1922 H 1 UNL111111 0.1768 @BOND 1 43 9 1 2 60 29 1 3 48 13 1 4 39 7 1 5 44 9 1 6 29 22 ar 7 29 33 ar 8 47 13 1 9 54 22 1 10 52 20 1 11 58 27 1 12 9 7 1 13 9 10 1 14 62 31 1 15 22 16 ar 16 13 10 1 17 13 17 1 18 33 28 ar 19 7 40 1 20 7 5 1 21 2 25 ar 22 37 6 1 23 55 23 1 24 31 23 ar 25 31 34 ar 26 20 27 ar 27 20 15 ar 28 27 30 ar 29 38 6 1 30 23 18 ar 31 10 45 1 32 10 46 1 33 50 17 1 34 16 12 1 35 16 21 ar 36 34 32 ar 37 6 5 1 38 6 8 1 39 28 59 1 40 28 21 ar 41 17 25 1 42 17 49 1 43 25 1 ar 44 18 14 1 45 18 24 ar 46 12 14 ar 47 12 11 ar 48 5 35 1 49 5 36 1 50 21 53 1 51 14 4 ar 52 32 24 ar 53 11 15 1 54 11 3 ar 55 15 19 ar 56 30 61 1 57 30 26 ar 58 4 3 ar 59 24 56 1 60 3 8 1 61 8 42 1 62 8 41 1 63 19 26 ar 64 19 51 1 65 26 57 1