@MOLECULE (5z)-5-(carbamoylimino)-3-[(5r)-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydro-1,2-thiazole-4-carboxamide 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.5101 -3.2142 1.2701 C.ar 1 UNL111111111 -0.1345 2 C -2.2711 -3.3381 -0.0973 C.ar 1 UNL111111111 -0.1523 3 C -2.7811 -1.9630 1.8106 C.ar 1 UNL111111111 -0.1785 4 C -2.2698 -2.2035 -0.8992 C.ar 1 UNL111111111 -0.1957 5 C 1.5541 1.1282 -0.0623 C.ar 1 UNL111111111 -0.4010 6 C -2.7958 -0.8156 1.0072 C.ar 1 UNL111111111 0.0398 7 C -2.4922 -0.9302 -0.3547 C.ar 1 UNL111111111 -0.0527 8 C 0.4021 0.5222 -0.6423 C.ar 1 UNL111111111 0.2266 9 C 2.6408 0.2547 -0.0104 C.ar 1 UNL111111111 0.2673 10 C 1.5413 2.5139 0.4159 C.2 1 UNL111111111 0.6508 11 C 4.6070 -0.7845 0.2724 C.2 1 UNL111111111 0.6396 12 C -3.1805 0.4797 1.6500 C.3 1 UNL111111111 -0.2902 13 C -4.4603 1.0395 1.0120 C.3 1 UNL111111111 -0.2549 14 C -4.1774 1.8461 -0.2581 C.3 1 UNL111111111 -0.2640 15 C -3.7332 0.9785 -1.4412 C.3 1 UNL111111111 -0.2632 16 C -2.4018 0.2286 -1.2954 C.3 1 UNL111111111 -0.1862 17 N 0.5884 -0.7382 -1.0415 N.ar 1 UNL111111111 -0.5429 18 N 2.6872 3.0070 1.0056 N.am 1 UNL111111111 -0.6838 19 N 5.8959 -0.8933 0.6907 N.am 1 UNL111111111 -0.5950 20 N 3.8923 0.3795 0.4498 N.am 1 UNL111111111 -0.6198 21 O 0.5653 3.2433 0.3186 O.2 1 UNL111111111 -0.5690 22 O 4.0350 -1.7944 -0.2952 O.2 1 UNL111111111 -0.5179 23 S 2.2552 -1.3728 -0.7200 S.2 1 UNL111111111 0.3630 24 S -1.0917 1.4516 -0.8152 S.3 1 UNL111111111 0.1581 25 H -2.4935 -4.0946 1.9098 H 1 UNL111111111 0.1523 26 H -2.0862 -4.3175 -0.5336 H 1 UNL111111111 0.1534 27 H -2.9902 -1.8753 2.8764 H 1 UNL111111111 0.1555 28 H -2.1075 -2.3164 -1.9709 H 1 UNL111111111 0.1464 29 H -3.3417 0.3475 2.7400 H 1 UNL111111111 0.1433 30 H -2.3554 1.2220 1.5908 H 1 UNL111111111 0.1823 31 H -2.1265 -0.1388 -2.3195 H 1 UNL111111111 0.1505 32 H -0.1266 -1.3392 -1.4161 H 1 UNL111111111 0.3251 33 H 3.5147 2.4481 1.0773 H 1 UNL111111111 0.3288 34 H 2.7174 3.9497 1.3259 H 1 UNL111111111 0.3079 35 H 6.3659 -0.1048 1.0923 H 1 UNL111111111 0.3258 36 H 6.4328 -1.7058 0.4635 H 1 UNL111111111 0.3218 37 H -5.1630 0.2133 0.7917 H 1 UNL111111111 0.1391 38 H -4.9798 1.6867 1.7458 H 1 UNL111111111 0.1356 39 H -5.0999 2.3893 -0.5526 H 1 UNL111111111 0.1334 40 H -3.4410 2.6456 -0.0421 H 1 UNL111111111 0.1598 41 H -4.5233 0.2213 -1.6427 H 1 UNL111111111 0.1494 42 H -3.6991 1.6135 -2.3528 H 1 UNL111111111 0.1460 @BOND 1 1 2 ar 2 1 3 ar 3 1 25 1 4 2 4 ar 5 2 26 1 6 3 6 ar 7 3 27 1 8 4 7 ar 9 4 28 1 10 5 8 ar 11 5 9 ar 12 5 10 1 13 6 7 ar 14 6 12 1 15 7 16 1 16 8 17 ar 17 8 24 1 18 9 20 2 19 9 23 ar 20 10 18 am 21 10 21 2 22 11 19 am 23 11 20 1 24 11 22 2 25 12 13 1 26 12 29 1 27 12 30 1 28 13 14 1 29 13 37 1 30 13 38 1 31 14 15 1 32 14 39 1 33 14 40 1 34 15 16 1 35 15 41 1 36 15 42 1 37 16 24 1 38 16 31 1 39 17 23 ar 40 17 32 1 41 18 33 1 42 18 34 1 43 19 35 1 44 19 36 1