@MOLECULE 3-({4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxo-1-piperazinyl}methyl)benzenecarboximidamide 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 N 6.5053 3.3524 -0.7312 N.2 1 UNL1111 -0.6351 2 C 6.7427 2.2158 -0.1650 C.2 1 UNL1111 0.3948 3 N 8.0711 1.7865 -0.0814 N.pl3 1 UNL1111 -0.6262 4 C 5.7400 1.2512 0.3648 C.ar 1 UNL1111 -0.1148 5 C 5.4584 0.0899 -0.3521 C.ar 1 UNL1111 -0.1412 6 C 4.4905 -0.7922 0.1246 C.ar 1 UNL1111 -0.0579 7 C 3.8300 -0.5205 1.3246 C.ar 1 UNL1111 -0.1249 8 C 4.1132 0.6452 2.0319 C.ar 1 UNL1111 -0.1351 9 C 5.0684 1.5389 1.5514 C.ar 1 UNL1111 -0.1364 10 C 4.1473 -2.0294 -0.6656 C.3 1 UNL1111 -0.0905 11 N 2.7131 -2.0911 -0.9976 N.am 1 UNL1111 -0.4805 12 C 1.8804 -2.7486 -0.1033 C.2 1 UNL1111 0.5440 13 O 2.3415 -3.5462 0.6891 O.2 1 UNL1111 -0.5338 14 C 0.3681 -2.5659 -0.2154 C.3 1 UNL1111 -0.1612 15 N -0.0575 -1.3188 -0.8554 N.3 1 UNL1111 -0.7182 16 C 0.7159 -1.0863 -2.0831 C.3 1 UNL1111 -0.0949 17 C 2.2296 -0.9589 -1.8047 C.3 1 UNL1111 -0.1252 18 S -0.2913 0.0742 0.1966 S.O2 1 UNL1111 2.3538 19 O 0.1120 -0.3213 1.5240 O.2 1 UNL1111 -0.9009 20 O 0.3129 1.1950 -0.4796 O.2 1 UNL1111 -0.8950 21 C -2.0278 0.2249 0.1896 C.ar 1 UNL1111 -0.5094 22 C -2.8325 -0.2567 1.1733 C.ar 1 UNL1111 -0.0547 23 C -4.2370 -0.0368 0.9207 C.ar 1 UNL1111 -0.0850 24 C -4.4659 0.6391 -0.2984 C.ar 1 UNL1111 -0.1099 25 S -2.9498 0.9910 -1.0903 S.2 1 UNL1111 0.3227 26 C -5.7594 0.9405 -0.7251 C.ar 1 UNL1111 -0.1895 27 C -6.7954 0.5449 0.1004 C.ar 1 UNL1111 0.0453 28 CL -8.3971 0.8880 -0.3815 Cl 1 UNL1111 -0.0607 29 C -6.6056 -0.1269 1.3163 C.ar 1 UNL1111 -0.1946 30 C -5.3168 -0.4192 1.7291 C.ar 1 UNL1111 -0.0905 31 H 5.5607 3.6454 -0.9024 H 1 UNL1111 0.2814 32 H 8.7836 2.4516 -0.3268 H 1 UNL1111 0.3032 33 H 8.3136 1.1426 0.6422 H 1 UNL1111 0.2933 34 H 5.9941 -0.1167 -1.2787 H 1 UNL1111 0.1648 35 H 3.0812 -1.2200 1.7090 H 1 UNL1111 0.1790 36 H 3.5777 0.8596 2.9572 H 1 UNL1111 0.1651 37 H 5.2863 2.4555 2.0982 H 1 UNL1111 0.1597 38 H 4.7248 -2.0861 -1.6173 H 1 UNL1111 0.1511 39 H 4.4267 -2.9456 -0.0801 H 1 UNL1111 0.1883 40 H -0.0694 -2.6701 0.8104 H 1 UNL1111 0.1922 41 H -0.0446 -3.4233 -0.8053 H 1 UNL1111 0.1729 42 H 0.5221 -1.9363 -2.7791 H 1 UNL1111 0.1516 43 H 0.3524 -0.1682 -2.6017 H 1 UNL1111 0.1664 44 H 2.4509 0.0149 -1.3004 H 1 UNL1111 0.1684 45 H 2.7911 -0.9494 -2.7663 H 1 UNL1111 0.1485 46 H -2.4991 -0.7603 2.0793 H 1 UNL1111 0.1868 47 H -5.9444 1.4631 -1.6641 H 1 UNL1111 0.1825 48 H -7.4631 -0.4142 1.9275 H 1 UNL1111 0.1834 49 H -5.1360 -0.9404 2.6694 H 1 UNL1111 0.1666 @BOND 1 1 2 2 2 1 31 1 3 2 3 1 4 2 4 1 5 3 32 1 6 3 33 1 7 4 5 ar 8 4 9 ar 9 5 6 ar 10 5 34 1 11 6 7 ar 12 6 10 1 13 7 8 ar 14 7 35 1 15 8 9 ar 16 8 36 1 17 9 37 1 18 10 11 1 19 10 38 1 20 10 39 1 21 11 12 am 22 11 17 1 23 12 13 2 24 12 14 1 25 14 15 1 26 14 40 1 27 14 41 1 28 15 16 1 29 15 18 1 30 16 17 1 31 16 42 1 32 16 43 1 33 17 44 1 34 17 45 1 35 18 19 2 36 18 20 2 37 18 21 1 38 21 22 ar 39 21 25 ar 40 22 23 ar 41 22 46 1 42 23 24 ar 43 23 30 ar 44 24 25 ar 45 24 26 ar 46 26 27 ar 47 26 47 1 48 27 28 1 49 27 29 ar 50 29 30 ar 51 29 48 1 52 30 49 1