@MOLECULE n-cyclohexyl-6-({(2-methoxyethyl)[(~11~c)methyl]amino}methyl)-n-methyl[1,3]thiazolo[3,2-a]benzimidazole-2-carboxamide 59 62 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.6203 2.5446 -1.0574 S.2 1 UNL1 0.3469 2 O -4.0445 1.1809 0.6436 O.2 1 UNL1 -0.5157 3 O 5.5304 -2.9555 -1.6952 O.3 1 UNL1 -0.3993 4 N -3.4377 -0.7763 -0.3119 N.am 1 UNL1 -0.5041 5 N 0.4117 1.3858 0.0944 N.ar 1 UNL1 -0.3202 6 N 1.1731 3.2481 -0.9991 N.ar 1 UNL1 -0.3770 7 N 4.8854 -1.2590 1.3727 N.3 1 UNL1 -0.4058 8 C -4.7677 -1.3877 -0.1060 C.3 1 UNL1 0.1204 9 C -5.8580 -0.6227 -0.8862 C.3 1 UNL1 -0.3160 10 C -5.1156 -1.4318 1.3968 C.3 1 UNL1 -0.3065 11 C -6.4638 -2.1353 1.5822 C.3 1 UNL1 -0.2644 12 C -7.2078 -1.3202 -0.6925 C.3 1 UNL1 -0.2635 13 C -7.5624 -1.4032 0.7988 C.3 1 UNL1 -0.2624 14 C -3.1864 0.5171 0.0913 C.2 1 UNL1 0.6045 15 C -2.5228 -1.5278 -1.1723 C.3 1 UNL1 -0.2283 16 C -1.8304 1.0557 -0.1160 C.ar 1 UNL1 -0.3521 17 C -0.6744 0.5897 0.4304 C.ar 1 UNL1 0.0775 18 C 1.7859 1.4306 0.3461 C.ar 1 UNL1 0.0606 19 C 0.1012 2.5254 -0.7275 C.ar 1 UNL1 0.1353 20 C 2.2482 2.6066 -0.3479 C.ar 1 UNL1 0.0738 21 C 3.9887 0.9902 1.0996 C.ar 1 UNL1 0.0134 22 C 2.6499 0.6164 1.0683 C.ar 1 UNL1 -0.1712 23 C 4.9625 0.1377 1.8752 C.3 1 UNL1 -0.1236 24 C 3.5978 2.9559 -0.2969 C.ar 1 UNL1 -0.1150 25 C 4.4518 2.1405 0.4297 C.ar 1 UNL1 -0.1854 26 C 5.4546 -1.3741 0.0096 C.3 1 UNL1 -0.1407 27 C 5.5523 -2.1852 2.3117 C.3 1 UNL1 -0.2802 28 C 4.6067 -2.4070 -0.7612 C.3 1 UNL1 -0.0422 29 C 4.9145 -3.7830 -2.6604 C.3 1 UNL1 -0.1948 30 H -4.7198 -2.4424 -0.4888 H 1 UNL1 0.1289 31 H -4.3194 -1.9465 1.9603 H 1 UNL1 0.1380 32 H -5.1652 -0.4017 1.8084 H 1 UNL1 0.1784 33 H -5.9153 0.4249 -0.5229 H 1 UNL1 0.1763 34 H -5.5968 -0.5608 -1.9556 H 1 UNL1 0.1347 35 H -7.9963 -0.7684 -1.2381 H 1 UNL1 0.1359 36 H -6.3977 -3.1879 1.2522 H 1 UNL1 0.1305 37 H -6.7241 -2.1686 2.6567 H 1 UNL1 0.1363 38 H -7.1836 -2.3333 -1.1336 H 1 UNL1 0.1307 39 H -7.6944 -0.3825 1.2079 H 1 UNL1 0.1461 40 H -8.5313 -1.9166 0.9314 H 1 UNL1 0.1302 41 H -1.6974 -0.9042 -1.5552 H 1 UNL1 0.1573 42 H -3.0523 -1.9311 -2.0544 H 1 UNL1 0.1434 43 H -2.0852 -2.3735 -0.6113 H 1 UNL1 0.1435 44 H -0.5330 -0.2824 1.0628 H 1 UNL1 0.1934 45 H 2.3087 -0.2839 1.5750 H 1 UNL1 0.1814 46 H 4.6675 0.1404 2.9521 H 1 UNL1 0.1539 47 H 5.9923 0.5544 1.8338 H 1 UNL1 0.1260 48 H 3.9515 3.8445 -0.8179 H 1 UNL1 0.1763 49 H 5.5105 2.3932 0.4829 H 1 UNL1 0.1600 50 H 5.4158 -0.3981 -0.5198 H 1 UNL1 0.1506 51 H 6.5216 -1.6862 0.0000 H 1 UNL1 0.1390 52 H 5.5143 -3.2081 1.8999 H 1 UNL1 0.1487 53 H 4.9906 -2.1954 3.2606 H 1 UNL1 0.1457 54 H 6.6037 -1.9420 2.5251 H 1 UNL1 0.1207 55 H 3.7602 -1.9322 -1.2817 H 1 UNL1 0.1218 56 H 4.2294 -3.2109 -0.1073 H 1 UNL1 0.1256 57 H 5.7634 -4.1448 -3.2547 H 1 UNL1 0.1441 58 H 4.2295 -3.2049 -3.2890 H 1 UNL1 0.1218 59 H 4.3965 -4.6229 -2.1886 H 1 UNL1 0.1168 @BOND 1 58 29 1 2 57 29 1 3 29 59 1 4 29 3 1 5 42 15 1 6 34 9 1 7 3 28 1 8 41 15 1 9 55 28 1 10 35 12 1 11 15 43 1 12 15 4 1 13 38 12 1 14 1 19 ar 15 1 16 ar 16 6 19 ar 17 6 20 ar 18 9 12 1 19 9 33 1 20 9 8 1 21 48 24 1 22 28 56 1 23 28 26 1 24 19 5 ar 25 12 13 1 26 50 26 1 27 30 8 1 28 20 24 ar 29 20 18 ar 30 4 8 1 31 4 14 am 32 24 25 ar 33 16 14 1 34 16 17 ar 35 8 10 1 36 51 26 1 37 26 7 1 38 14 2 2 39 5 18 ar 40 5 17 ar 41 18 22 ar 42 25 49 1 43 25 21 ar 44 17 44 1 45 13 40 1 46 13 39 1 47 13 11 1 48 22 21 ar 49 22 45 1 50 21 23 1 51 36 11 1 52 7 23 1 53 7 27 1 54 10 11 1 55 10 32 1 56 10 31 1 57 11 37 1 58 47 23 1 59 23 46 1 60 52 27 1 61 27 54 1 62 27 53 1