@MOLECULE 5-(3,3-dimethyl-1-butyn-1-yl)-3-{isopropyl[(trans-4-methylcyclohexyl)carbonyl]amino}-2-thiophenecarboxylic acid 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.9769 2.5684 2.9188 C.3 1 UNL111111111 -0.4837 2 C 2.2046 2.4315 1.4079 C.3 1 UNL111111111 0.1668 3 C 2.2926 -0.0888 1.3167 C.2 1 UNL111111111 0.5882 4 C 3.6862 2.5839 1.0503 C.3 1 UNL111111111 -0.4765 5 C 1.8141 -1.3593 0.6328 C.3 1 UNL111111111 -0.1929 6 C 2.2967 -2.5771 1.4350 C.3 1 UNL111111111 -0.2567 7 C 1.8566 -3.8681 0.7369 C.3 1 UNL111111111 -0.2790 8 C 2.4111 -3.9235 -0.6988 C.3 1 UNL111111111 -0.0711 9 C 1.9456 -2.6901 -1.4932 C.3 1 UNL111111111 -0.2742 10 C 2.3870 -1.3999 -0.7940 C.3 1 UNL111111111 -0.2679 11 C -3.1084 0.3049 0.0776 C.1 1 UNL111111111 -0.1558 12 C -0.7415 0.6001 0.7547 C.ar 1 UNL111111111 -0.2494 13 C -1.7954 0.7064 -0.1173 C.ar 1 UNL111111111 -0.0376 14 S -1.3022 1.4645 -1.6121 S.2 1 UNL111111111 0.3668 15 C 0.3244 1.6553 -1.0529 C.ar 1 UNL111111111 -0.3852 16 C 0.4798 1.1390 0.2200 C.ar 1 UNL111111111 0.2557 17 N 1.6880 1.1155 0.9392 N.am 1 UNL111111111 -0.5428 18 C 1.3598 2.2786 -1.8557 C.2 1 UNL111111111 0.6778 19 O 2.0184 3.2572 -1.6151 O.2 1 UNL111111111 -0.4900 20 O 1.5420 1.6006 -3.0239 O.3 1 UNL111111111 -0.5494 21 O 3.1980 -0.0786 2.1206 O.2 1 UNL111111111 -0.5143 22 C 1.9426 -5.2058 -1.3950 C.3 1 UNL111111111 -0.4642 23 C -4.2574 -0.0461 0.2580 C.1 1 UNL111111111 -0.0149 24 C -5.6177 -0.4745 0.4799 C.3 1 UNL111111111 0.1316 25 C -6.3057 0.5135 1.4403 C.3 1 UNL111111111 -0.4521 26 C -6.3659 -0.5025 -0.8656 C.3 1 UNL111111111 -0.4533 27 C -5.5966 -1.8846 1.0997 C.3 1 UNL111111111 -0.4526 28 H 2.3244 3.5420 3.2783 H 1 UNL111111111 0.1497 29 H 0.9184 2.4678 3.1772 H 1 UNL111111111 0.1456 30 H 2.5280 1.7941 3.4733 H 1 UNL111111111 0.1775 31 H 1.6215 3.2299 0.8682 H 1 UNL111111111 0.1448 32 H 4.3123 1.8486 1.5745 H 1 UNL111111111 0.1765 33 H 3.8502 2.4560 -0.0264 H 1 UNL111111111 0.1574 34 H 4.0476 3.5817 1.3202 H 1 UNL111111111 0.1510 35 H 0.6990 -1.3874 0.5807 H 1 UNL111111111 0.1623 36 H 3.3998 -2.5476 1.5422 H 1 UNL111111111 0.1593 37 H 1.9006 -2.5368 2.4664 H 1 UNL111111111 0.1414 38 H 2.2067 -4.7456 1.3096 H 1 UNL111111111 0.1329 39 H 0.7533 -3.9353 0.7199 H 1 UNL111111111 0.1358 40 H 3.5266 -3.9215 -0.6530 H 1 UNL111111111 0.1338 41 H 2.3549 -2.7215 -2.5191 H 1 UNL111111111 0.1345 42 H 0.8460 -2.7023 -1.6064 H 1 UNL111111111 0.1386 43 H 2.0479 -0.5206 -1.3762 H 1 UNL111111111 0.1480 44 H 3.4918 -1.3392 -0.7625 H 1 UNL111111111 0.1492 45 H -0.8008 0.1790 1.7478 H 1 UNL111111111 0.1867 46 H 2.2452 1.9960 -3.5966 H 1 UNL111111111 0.3521 47 H 0.8505 -5.2496 -1.4648 H 1 UNL111111111 0.1427 48 H 2.3407 -5.2753 -2.4129 H 1 UNL111111111 0.1420 49 H 2.2742 -6.0970 -0.8520 H 1 UNL111111111 0.1420 50 H -7.3412 0.2157 1.6366 H 1 UNL111111111 0.1526 51 H -5.7850 0.5620 2.4036 H 1 UNL111111111 0.1537 52 H -6.3233 1.5273 1.0247 H 1 UNL111111111 0.1522 53 H -6.3748 0.4865 -1.3378 H 1 UNL111111111 0.1521 54 H -5.8970 -1.2000 -1.5689 H 1 UNL111111111 0.1520 55 H -7.4067 -0.8161 -0.7310 H 1 UNL111111111 0.1519 56 H -5.0885 -2.6005 0.4435 H 1 UNL111111111 0.1522 57 H -5.0702 -1.8894 2.0613 H 1 UNL111111111 0.1537 58 H -6.6120 -2.2550 1.2738 H 1 UNL111111111 0.1525 @BOND 1 1 2 1 2 1 28 1 3 1 29 1 4 1 30 1 5 2 4 1 6 2 31 1 7 3 21 2 8 4 32 1 9 4 33 1 10 4 34 1 11 5 6 1 12 5 3 1 13 5 35 1 14 6 36 1 15 6 37 1 16 7 6 1 17 7 38 1 18 7 39 1 19 8 7 1 20 8 40 1 21 9 8 1 22 9 10 1 23 9 41 1 24 9 42 1 25 10 5 1 26 10 43 1 27 10 44 1 28 11 13 1 29 12 16 ar 30 12 45 1 31 13 12 ar 32 14 13 ar 33 14 15 ar 34 15 16 ar 35 16 17 1 36 17 3 am 37 17 2 1 38 18 15 1 39 18 20 1 40 19 18 2 41 20 46 1 42 22 8 1 43 22 47 1 44 22 48 1 45 22 49 1 46 23 11 3 47 24 26 1 48 24 25 1 49 24 23 1 50 25 50 1 51 25 51 1 52 25 52 1 53 26 53 1 54 26 54 1 55 26 55 1 56 27 24 1 57 27 56 1 58 27 57 1 59 27 58 1