@MOLECULE 2,4-dichloro-n-[3-cyano-6-(4-hydroxybenzyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]-5-(4-morpholinylsulfonyl)benzamide 63 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3949 2.1018 1.3106 O.2 1 UNL1111111111 -0.9072 2 S -5.2548 0.9854 0.9942 S.O2 1 UNL1111111111 2.3222 3 O -6.0424 0.3256 2.0033 O.2 1 UNL1111111111 -0.8758 4 N -6.3292 1.4568 -0.3018 N.3 1 UNL1111111111 -0.7128 5 C -7.7745 1.3839 -0.0176 C.3 1 UNL1111111111 -0.1222 6 C -8.2920 2.6509 0.6898 C.3 1 UNL1111111111 -0.0830 7 O -7.9448 3.8098 -0.0455 O.3 1 UNL1111111111 -0.3842 8 C -6.5483 3.9435 -0.2378 C.3 1 UNL1111111111 -0.0825 9 C -6.0015 2.7178 -0.9934 C.3 1 UNL1111111111 -0.1188 10 C -4.2292 -0.2156 0.1790 C.ar 1 UNL1111111111 -0.4167 11 C -4.7263 -1.3718 -0.4114 C.ar 1 UNL1111111111 0.1323 12 CL -6.3933 -1.7107 -0.4238 Cl 1 UNL1111111111 -0.0180 13 C -3.8972 -2.3071 -1.0302 C.ar 1 UNL1111111111 -0.2332 14 C -2.5353 -2.0455 -1.0465 C.ar 1 UNL1111111111 0.0907 15 CL -1.4868 -3.1588 -1.7884 Cl 1 UNL1111111111 -0.0280 16 C -2.8553 0.0277 0.1359 C.ar 1 UNL1111111111 0.0178 17 C -2.0030 -0.8933 -0.4729 C.ar 1 UNL1111111111 -0.2122 18 C -0.5517 -0.5864 -0.5627 C.2 1 UNL1111111111 0.5772 19 O -0.0897 0.3071 -1.2277 O.2 1 UNL1111111111 -0.4262 20 N 0.2615 -1.4329 0.2020 N.am 1 UNL1111111111 -0.5217 21 C 1.6435 -1.3622 0.2000 C.ar 1 UNL1111111111 0.1086 22 C 2.4772 -2.2359 0.8840 C.ar 1 UNL1111111111 -0.2301 23 C 2.0409 -3.3148 1.6695 C.1 1 UNL1111111111 0.1508 24 N 1.6777 -4.2068 2.3146 N.1 1 UNL1111111111 -0.2680 25 S 2.5783 -0.1562 -0.6739 S.2 1 UNL1111111111 0.3318 26 C 4.0784 -0.8448 -0.1149 C.ar 1 UNL1111111111 -0.2376 27 C 3.8685 -1.9223 0.6965 C.ar 1 UNL1111111111 0.0575 28 C 5.4180 -0.3205 -0.4794 C.3 1 UNL1111111111 -0.0858 29 N 6.4660 -0.9144 0.4000 N.3 1 UNL1111111111 -0.4117 30 C 6.2961 -2.3822 0.5420 C.3 1 UNL1111111111 -0.1041 31 C 4.9925 -2.6584 1.3236 C.3 1 UNL1111111111 -0.2784 32 C 7.8222 -0.5959 -0.1189 C.3 1 UNL1111111111 -0.1232 33 C 8.0390 0.8933 -0.1327 C.ar 1 UNL1111111111 -0.0909 34 C 7.7074 1.6509 0.9986 C.ar 1 UNL1111111111 -0.0717 35 C 7.9073 3.0232 1.0094 C.ar 1 UNL1111111111 -0.2464 36 C 8.4522 3.6212 -0.1337 C.ar 1 UNL1111111111 0.2888 37 O 8.6201 4.9679 -0.0553 O.3 1 UNL1111111111 -0.4756 38 C 8.7955 2.8893 -1.2700 C.ar 1 UNL1111111111 -0.3093 39 C 8.5810 1.5117 -1.2576 C.ar 1 UNL1111111111 -0.0986 40 H -8.2948 1.2565 -0.9965 H 1 UNL1111111111 0.1554 41 H -8.0175 0.4801 0.5875 H 1 UNL1111111111 0.1679 42 H -4.9050 2.8125 -1.1493 H 1 UNL1111111111 0.1541 43 H -6.4624 2.6647 -2.0090 H 1 UNL1111111111 0.1553 44 H -9.3956 2.6935 0.7025 H 1 UNL1111111111 0.1441 45 H -7.9150 2.7390 1.7241 H 1 UNL1111111111 0.1364 46 H -6.4717 4.8690 -0.8348 H 1 UNL1111111111 0.1428 47 H -6.0452 4.0956 0.7352 H 1 UNL1111111111 0.1472 48 H -2.4262 0.9467 0.5749 H 1 UNL1111111111 0.2064 49 H -4.3060 -3.2114 -1.4879 H 1 UNL1111111111 0.1964 50 H -0.1651 -2.1749 0.7596 H 1 UNL1111111111 0.3326 51 H 5.6235 -0.4996 -1.5623 H 1 UNL1111111111 0.1307 52 H 5.4737 0.7878 -0.3205 H 1 UNL1111111111 0.1679 53 H 5.1116 -2.3177 2.3785 H 1 UNL1111111111 0.1769 54 H 4.8002 -3.7481 1.3728 H 1 UNL1111111111 0.1577 55 H 6.2697 -2.9105 -0.4343 H 1 UNL1111111111 0.1206 56 H 7.1598 -2.7839 1.1146 H 1 UNL1111111111 0.1405 57 H 8.5646 -1.0586 0.5775 H 1 UNL1111111111 0.1551 58 H 8.0121 -1.0389 -1.1216 H 1 UNL1111111111 0.1209 59 H 7.2759 1.1468 1.8684 H 1 UNL1111111111 0.1760 60 H 8.8411 0.9231 -2.1365 H 1 UNL1111111111 0.1489 61 H 7.6535 3.6331 1.8725 H 1 UNL1111111111 0.1772 62 H 9.0098 5.3453 -0.8790 H 1 UNL1111111111 0.3261 63 H 9.2176 3.3739 -2.1423 H 1 UNL1111111111 0.1590 @BOND 1 1 2 2 2 2 3 2 3 2 4 1 4 2 10 1 5 4 5 1 6 4 9 1 7 5 6 1 8 5 40 1 9 5 41 1 10 6 7 1 11 6 44 1 12 6 45 1 13 7 8 1 14 8 9 1 15 8 46 1 16 8 47 1 17 9 42 1 18 9 43 1 19 10 11 ar 20 10 16 ar 21 11 12 1 22 11 13 ar 23 13 14 ar 24 13 49 1 25 14 15 1 26 14 17 ar 27 16 17 ar 28 16 48 1 29 17 18 1 30 18 19 2 31 18 20 am 32 20 21 1 33 20 50 1 34 21 22 ar 35 21 25 ar 36 22 23 1 37 22 27 ar 38 23 24 3 39 25 26 ar 40 26 27 ar 41 26 28 1 42 27 31 1 43 28 29 1 44 28 51 1 45 28 52 1 46 29 30 1 47 29 32 1 48 30 31 1 49 30 55 1 50 30 56 1 51 31 53 1 52 31 54 1 53 32 33 1 54 32 57 1 55 32 58 1 56 33 34 ar 57 33 39 ar 58 34 35 ar 59 34 59 1 60 35 36 ar 61 35 61 1 62 36 37 1 63 36 38 ar 64 37 62 1 65 38 39 ar 66 38 63 1 67 39 60 1