@MOLECULE n-[cis-3-(2-methoxy-3h-imidazo[4,5-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine 42 46 0 0 0 SMALL GASTEIGER @ATOM 1 C 0.4740 2.5391 -0.2428 C.3 1 UNL1111 -0.1719 2 O 0.8875 1.1791 -0.0234 O.3 1 UNL1111 -0.3212 3 C 2.2098 0.9852 0.0088 C.ar 1 UNL1111 0.4631 4 N 3.1922 1.8796 -0.1595 N.ar 1 UNL1111 -0.4675 5 C 4.3831 1.1555 -0.0195 C.ar 1 UNL1111 0.0321 6 C 5.7251 1.5205 -0.0873 C.ar 1 UNL1111 -0.0694 7 C 6.6619 0.5116 0.1042 C.ar 1 UNL1111 -0.2476 8 C 6.2546 -0.8167 0.3573 C.ar 1 UNL1111 0.0500 9 N 4.9713 -1.2101 0.4306 N.ar 1 UNL1111 -0.3716 10 C 4.0684 -0.2313 0.2452 C.ar 1 UNL1111 0.1913 11 N 2.6657 -0.3221 0.2880 N.ar 1 UNL1111 -0.3827 12 C 1.9282 -1.5644 0.3418 C.3 1 UNL1111 0.0995 13 C 0.5219 -1.4781 1.0014 C.3 1 UNL1111 -0.3562 14 C -0.1473 -1.8567 -0.3633 C.3 1 UNL1111 0.0822 15 C 1.2670 -1.9852 -1.0102 C.3 1 UNL1111 -0.3361 16 N -0.9078 -0.7768 -0.9936 N.pl3 1 UNL1111 -0.4794 17 C -2.1662 -0.4772 -0.5232 C.ar 1 UNL1111 0.2930 18 N -2.6309 0.7576 -0.4780 N.ar 1 UNL1111 -0.4989 19 C -3.9887 0.7900 -0.1285 C.ar 1 UNL1111 0.1680 20 C -4.7411 1.9632 -0.0134 C.ar 1 UNL1111 -0.1649 21 C -6.0737 1.8553 0.3631 C.ar 1 UNL1111 -0.1182 22 C -6.6559 0.6072 0.6212 C.ar 1 UNL1111 -0.1764 23 C -5.9144 -0.5660 0.5089 C.ar 1 UNL1111 -0.1016 24 C -4.5825 -0.4713 0.1341 C.ar 1 UNL1111 -0.2076 25 S -3.3965 -1.7489 -0.0932 S.2 1 UNL1111 0.0972 26 H 0.8455 2.9002 -1.2074 H 1 UNL1111 0.1520 27 H -0.6245 2.4302 -0.2378 H 1 UNL1111 0.1805 28 H 0.8250 3.1780 0.5740 H 1 UNL1111 0.1536 29 H 6.0116 2.5531 -0.2817 H 1 UNL1111 0.1777 30 H 7.7245 0.7392 0.0611 H 1 UNL1111 0.1692 31 H 6.9946 -1.6117 0.5103 H 1 UNL1111 0.1745 32 H 2.5895 -2.3488 0.7815 H 1 UNL1111 0.1799 33 H 0.3605 -2.2039 1.8031 H 1 UNL1111 0.1652 34 H 0.2459 -0.4942 1.3976 H 1 UNL1111 0.1803 35 H -0.7232 -2.8000 -0.3477 H 1 UNL1111 0.1589 36 H 1.4623 -1.3138 -1.8523 H 1 UNL1111 0.1694 37 H 1.5238 -2.9959 -1.3390 H 1 UNL1111 0.1661 38 H -0.3195 0.0485 -1.1829 H 1 UNL1111 0.3218 39 H -4.2783 2.9261 -0.2191 H 1 UNL1111 0.1745 40 H -6.6808 2.7559 0.4603 H 1 UNL1111 0.1550 41 H -7.7031 0.5568 0.9138 H 1 UNL1111 0.1566 42 H -6.3785 -1.5301 0.7120 H 1 UNL1111 0.1598 @BOND 1 1 2 1 2 1 26 1 3 1 27 1 4 1 28 1 5 2 3 1 6 3 4 ar 7 3 11 ar 8 4 5 ar 9 5 6 ar 10 5 10 ar 11 6 7 ar 12 6 29 1 13 7 8 ar 14 7 30 1 15 8 9 ar 16 8 31 1 17 9 10 ar 18 10 11 ar 19 11 12 1 20 12 13 1 21 12 15 1 22 12 32 1 23 13 14 1 24 13 33 1 25 13 34 1 26 14 15 1 27 14 16 1 28 14 35 1 29 15 36 1 30 15 37 1 31 16 17 1 32 16 38 1 33 17 18 ar 34 17 25 ar 35 18 19 ar 36 19 20 ar 37 19 24 ar 38 20 21 ar 39 20 39 1 40 21 22 ar 41 21 40 1 42 22 23 ar 43 22 41 1 44 23 24 ar 45 23 42 1 46 24 25 ar