@MOLECULE (2-{[4-(4-chloro-2,5-dimethoxyphenyl)-5-(2-cyclohexylethyl)-1,3-thiazol-2-yl]carbamoyl}-5,7-dimethyl-1h-indol-1-yl)acetic acid 78 82 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.5757 -3.4899 0.4452 Cl 1 UNL11 -0.0539 2 S -0.3586 2.9925 -0.7186 S.2 1 UNL11 0.1240 3 O -2.3046 -0.8102 -2.2670 O.3 1 UNL11 -0.3537 4 O 2.2634 -0.2447 -1.0442 O.2 1 UNL11 -0.4589 5 O -4.4538 -1.9203 2.6752 O.3 1 UNL11 -0.3130 6 O 4.2722 -3.6369 -1.2969 O.3 1 UNL11 -0.5690 7 O 5.3442 -1.8707 -2.1481 O.2 1 UNL11 -0.4532 8 N -0.1393 0.5871 0.2855 N.ar 1 UNL11 -0.3601 9 N 1.9800 1.6932 0.1180 N.am 1 UNL11 -0.5556 10 N 4.9106 -0.4567 0.2892 N.ar 1 UNL11 -0.2285 11 C -5.5655 2.2632 -0.3289 C.3 1 UNL11 -0.0909 12 C -5.7564 0.7702 -0.6474 C.3 1 UNL11 -0.2802 13 C -6.5182 2.6719 0.8122 C.3 1 UNL11 -0.2745 14 C -7.2103 0.4734 -1.0302 C.3 1 UNL11 -0.2599 15 C -7.9752 2.3710 0.4373 C.3 1 UNL11 -0.2656 16 C -8.1552 0.8835 0.1062 C.3 1 UNL11 -0.2622 17 C -4.1145 2.5523 0.0980 C.3 1 UNL11 -0.2833 18 C -3.1283 2.4251 -1.0790 C.3 1 UNL11 -0.2609 19 C -1.7954 1.9960 -0.6133 C.ar 1 UNL11 -0.1395 20 C -1.4749 0.7702 -0.0785 C.ar 1 UNL11 0.0903 21 C 0.5945 1.6349 -0.0112 C.ar 1 UNL11 0.2370 22 C -2.4053 -0.3414 0.0949 C.ar 1 UNL11 -0.0510 23 C 6.2367 -0.0917 0.5324 C.ar 1 UNL11 0.0790 24 C 4.1851 0.7001 -0.0193 C.ar 1 UNL11 -0.0371 25 C 6.3130 1.3351 0.4163 C.ar 1 UNL11 -0.0458 26 C -2.7789 -1.1108 -1.0186 C.ar 1 UNL11 0.2164 27 C -2.9733 -0.6125 1.3375 C.ar 1 UNL11 -0.1518 28 C 2.7573 0.6321 -0.3752 C.2 1 UNL11 0.6028 29 C 5.0104 1.8106 0.0730 C.ar 1 UNL11 -0.2069 30 C 7.3814 -0.8469 0.8728 C.ar 1 UNL11 0.0054 31 C 4.3969 -1.7969 0.1265 C.3 1 UNL11 -0.1548 32 C 7.5271 2.0026 0.6328 C.ar 1 UNL11 -0.1693 33 C 8.6401 1.2573 0.9596 C.ar 1 UNL11 0.0249 34 C 8.5576 -0.1537 1.0778 C.ar 1 UNL11 -0.1875 35 C -3.9478 -1.6071 1.4381 C.ar 1 UNL11 0.1376 36 C -3.7467 -2.1135 -0.9242 C.ar 1 UNL11 -0.2169 37 C 7.3574 -2.3298 1.0032 C.3 1 UNL11 -0.4476 38 C -4.3376 -2.3311 0.3112 C.ar 1 UNL11 -0.0180 39 C 9.9597 1.9119 1.1967 C.3 1 UNL11 -0.4473 40 C 4.7440 -2.3623 -1.2375 C.2 1 UNL11 0.6149 41 C -0.9779 -1.2882 -2.4973 C.3 1 UNL11 -0.1911 42 C -5.6355 -1.1805 2.9774 C.3 1 UNL11 -0.2015 43 H -5.8096 2.8625 -1.2359 H 1 UNL11 0.1339 44 H -5.0822 0.4601 -1.4681 H 1 UNL11 0.1387 45 H -5.4668 0.1592 0.2278 H 1 UNL11 0.1394 46 H -6.2491 2.1330 1.7387 H 1 UNL11 0.1344 47 H -6.4023 3.7472 1.0367 H 1 UNL11 0.1270 48 H -7.4758 1.0125 -1.9581 H 1 UNL11 0.1343 49 H -7.3299 -0.6022 -1.2563 H 1 UNL11 0.1337 50 H -8.2764 2.9883 -0.4294 H 1 UNL11 0.1340 51 H -8.6469 2.6606 1.2653 H 1 UNL11 0.1263 52 H -9.2033 0.6800 -0.1773 H 1 UNL11 0.1273 53 H -7.9551 0.2688 1.0030 H 1 UNL11 0.1319 54 H -4.0418 3.5677 0.5290 H 1 UNL11 0.1395 55 H -3.8290 1.8629 0.9156 H 1 UNL11 0.1483 56 H -3.5071 1.6705 -1.8148 H 1 UNL11 0.1799 57 H -3.1059 3.3751 -1.6495 H 1 UNL11 0.1532 58 H 2.3881 2.4154 0.7009 H 1 UNL11 0.3337 59 H -2.6660 -0.0594 2.2253 H 1 UNL11 0.1826 60 H 4.7513 2.8342 -0.0958 H 1 UNL11 0.1699 61 H 3.2743 -1.8150 0.2457 H 1 UNL11 0.2218 62 H 4.7868 -2.4692 0.9321 H 1 UNL11 0.1906 63 H 7.5700 3.0837 0.5358 H 1 UNL11 0.1596 64 H 9.4661 -0.6975 1.3362 H 1 UNL11 0.1579 65 H -4.0240 -2.6839 -1.8107 H 1 UNL11 0.1914 66 H 6.6919 -2.6572 1.8146 H 1 UNL11 0.1570 67 H 7.0380 -2.8126 0.0669 H 1 UNL11 0.1637 68 H 8.3512 -2.7432 1.2339 H 1 UNL11 0.1612 69 H 9.9259 2.9995 1.0488 H 1 UNL11 0.1536 70 H 10.7285 1.5187 0.5148 H 1 UNL11 0.1598 71 H 10.3118 1.7359 2.2237 H 1 UNL11 0.1569 72 H -0.7179 -0.8157 -3.4517 H 1 UNL11 0.1485 73 H -0.9920 -2.3781 -2.5824 H 1 UNL11 0.1303 74 H -0.2799 -0.9683 -1.7122 H 1 UNL11 0.1624 75 H 4.4042 -4.0683 -2.1764 H 1 UNL11 0.3607 76 H -6.4190 -1.3579 2.2347 H 1 UNL11 0.1348 77 H -5.4070 -0.1136 3.0580 H 1 UNL11 0.1287 78 H -5.9295 -1.5928 3.9505 H 1 UNL11 0.1507 @BOND 1 1 38 1 2 2 19 ar 3 2 21 ar 4 3 26 1 5 3 41 1 6 4 28 2 7 5 35 1 8 5 42 1 9 6 40 1 10 6 75 1 11 7 40 2 12 8 20 ar 13 8 21 ar 14 9 21 1 15 9 28 am 16 9 58 1 17 10 23 ar 18 10 24 ar 19 10 31 1 20 11 12 1 21 11 13 1 22 11 17 1 23 11 43 1 24 12 14 1 25 12 44 1 26 12 45 1 27 13 15 1 28 13 46 1 29 13 47 1 30 14 16 1 31 14 48 1 32 14 49 1 33 15 16 1 34 15 50 1 35 15 51 1 36 16 52 1 37 16 53 1 38 17 18 1 39 17 54 1 40 17 55 1 41 18 19 1 42 18 56 1 43 18 57 1 44 19 20 ar 45 20 22 1 46 22 26 ar 47 22 27 ar 48 23 25 ar 49 23 30 ar 50 24 28 1 51 24 29 ar 52 25 29 ar 53 25 32 ar 54 26 36 ar 55 27 35 ar 56 27 59 1 57 29 60 1 58 30 34 ar 59 30 37 1 60 31 40 1 61 31 61 1 62 31 62 1 63 32 33 ar 64 32 63 1 65 33 34 ar 66 33 39 1 67 34 64 1 68 35 38 ar 69 36 38 ar 70 36 65 1 71 37 66 1 72 37 67 1 73 37 68 1 74 39 69 1 75 39 70 1 76 39 71 1 77 41 72 1 78 41 73 1 79 41 74 1 80 42 76 1 81 42 77 1 82 42 78 1