@MOLECULE 3-(4-{(2e)-2-[4-{[(2s)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-2-oxo-3(2h)-pyridinylidene]-7-methyl-2,3-dihydro-1h-benzimidazol-5-yl}-1-piperazinyl)propanenitrile 68 72 0 0 0 SMALL GASTEIGER @ATOM 1 CL 0.4432 2.5324 -0.3686 Cl 1 UNL11111111111 -0.0840 2 O 6.6205 2.5617 0.4764 O.3 1 UNL11111111111 -0.5447 3 O 2.0102 -4.2314 -0.9580 O.2 1 UNL11111111111 -0.5800 4 N -3.7953 -0.1344 0.4896 N.pl3 1 UNL11111111111 -0.4227 5 N -6.6183 0.1127 0.0320 N.3 1 UNL11111111111 -0.4278 6 N 0.6794 -2.0643 -0.3555 N.ar 1 UNL11111111111 -0.3960 7 N 1.7101 -0.6964 1.1003 N.ar 1 UNL11111111111 -0.3936 8 N 4.4145 -0.3655 0.2884 N.pl3 1 UNL11111111111 -0.5670 9 N 4.2442 -4.5087 -0.5683 N.am 1 UNL11111111111 -0.5163 10 N -11.3304 -0.1223 -0.8893 N.1 1 UNL11111111111 -0.2554 11 C -4.4066 -0.6080 -0.7692 C.3 1 UNL11111111111 -0.0829 12 C -4.5498 1.0128 1.0297 C.3 1 UNL11111111111 -0.0898 13 C -5.8612 -1.0531 -0.4829 C.3 1 UNL11111111111 -0.1277 14 C -6.0107 0.5746 1.3021 C.3 1 UNL11111111111 -0.1246 15 C -2.4088 -0.1803 0.6306 C.ar 1 UNL11111111111 0.2906 16 C -8.0546 -0.2042 0.2024 C.3 1 UNL11111111111 -0.1029 17 C -1.6722 -1.1736 -0.0479 C.ar 1 UNL11111111111 -0.3480 18 C -0.3115 -1.2420 0.2006 C.ar 1 UNL11111111111 0.2027 19 C -1.7476 0.6879 1.5435 C.ar 1 UNL11111111111 -0.3370 20 C 0.3410 -0.3575 1.1118 C.ar 1 UNL11111111111 -0.0584 21 C -0.3874 0.6055 1.8094 C.ar 1 UNL11111111111 0.1365 22 C -8.7541 0.0960 -1.1461 C.3 1 UNL11111111111 -0.2746 23 C 1.9111 -1.7276 0.1999 C.ar 1 UNL11111111111 0.4658 24 C 0.2476 1.5105 2.8045 C.3 1 UNL11111111111 -0.4497 25 C 3.1267 -2.3535 -0.1043 C.2 1 UNL11111111111 -0.5531 26 C 4.4153 -1.7619 0.0635 C.2 1 UNL11111111111 0.3819 27 C -10.1835 -0.0257 -1.0055 C.1 1 UNL11111111111 0.1087 28 C 3.0652 -3.7411 -0.5817 C.2 1 UNL11111111111 0.6500 29 C 5.7008 0.3462 0.3578 C.3 1 UNL11111111111 -0.1397 30 C 5.4281 1.8385 0.7177 C.3 1 UNL11111111111 0.1285 31 C 5.5478 -2.5407 0.0067 C.2 1 UNL11111111111 -0.5018 32 C 4.3933 2.4277 -0.2040 C.ar 1 UNL11111111111 -0.0140 33 C 5.3828 -3.9368 -0.2694 C.2 1 UNL11111111111 0.2047 34 C 3.0467 2.3726 0.1666 C.ar 1 UNL11111111111 -0.2155 35 C 4.7578 2.9386 -1.4493 C.ar 1 UNL11111111111 -0.1376 36 C 2.0927 2.7469 -0.7684 C.ar 1 UNL11111111111 0.0328 37 C 3.7767 3.3584 -2.3472 C.ar 1 UNL11111111111 -0.1180 38 C 2.4255 3.2444 -2.0212 C.ar 1 UNL11111111111 -0.1717 39 H -3.8431 -1.4708 -1.1853 H 1 UNL11111111111 0.1500 40 H -4.4010 0.1979 -1.5388 H 1 UNL11111111111 0.1443 41 H -4.1053 1.3574 1.9890 H 1 UNL11111111111 0.1455 42 H -4.5368 1.8716 0.3208 H 1 UNL11111111111 0.1443 43 H -5.8583 -1.9129 0.2224 H 1 UNL11111111111 0.1353 44 H -6.3301 -1.3975 -1.4288 H 1 UNL11111111111 0.1412 45 H -6.5840 1.4510 1.6746 H 1 UNL11111111111 0.1433 46 H -6.0257 -0.2036 2.0957 H 1 UNL11111111111 0.1332 47 H -8.2424 -1.2547 0.5097 H 1 UNL11111111111 0.1323 48 H -8.4974 0.4407 0.9939 H 1 UNL11111111111 0.1479 49 H -2.1391 -1.8745 -0.7303 H 1 UNL11111111111 0.1804 50 H -2.3187 1.4521 2.0651 H 1 UNL11111111111 0.1656 51 H -8.3687 -0.5817 -1.9429 H 1 UNL11111111111 0.1792 52 H -8.4662 1.1231 -1.4859 H 1 UNL11111111111 0.1959 53 H 0.5621 -2.9255 -0.8986 H 1 UNL11111111111 0.3870 54 H 2.4403 -0.2402 1.6125 H 1 UNL11111111111 0.3476 55 H 1.3350 1.3884 2.8758 H 1 UNL11111111111 0.1511 56 H -0.1609 1.3315 3.8130 H 1 UNL11111111111 0.1683 57 H 0.0550 2.5703 2.5694 H 1 UNL11111111111 0.1725 58 H 3.7469 0.1173 -0.3275 H 1 UNL11111111111 0.2965 59 H 6.2691 0.2981 -0.5988 H 1 UNL11111111111 0.1533 60 H 6.3353 -0.1205 1.1421 H 1 UNL11111111111 0.1573 61 H 5.1452 1.9491 1.7878 H 1 UNL11111111111 0.1327 62 H 6.5422 -2.1498 0.1342 H 1 UNL11111111111 0.1673 63 H 6.2704 -4.5873 -0.2610 H 1 UNL11111111111 0.1566 64 H 2.7581 2.0310 1.1583 H 1 UNL11111111111 0.1665 65 H 5.8154 3.0044 -1.7171 H 1 UNL11111111111 0.1806 66 H 7.2979 2.3494 1.1487 H 1 UNL11111111111 0.3200 67 H 4.0682 3.7630 -3.3169 H 1 UNL11111111111 0.1620 68 H 1.6569 3.5361 -2.7365 H 1 UNL11111111111 0.1749 @BOND 1 1 36 1 2 2 30 1 3 2 66 1 4 3 28 2 5 4 11 1 6 4 12 1 7 4 15 1 8 5 13 1 9 5 14 1 10 5 16 1 11 6 18 ar 12 6 23 ar 13 6 53 1 14 7 20 ar 15 7 23 ar 16 7 54 1 17 8 26 1 18 8 29 1 19 8 58 1 20 9 28 1 21 9 33 2 22 10 27 3 23 11 13 1 24 11 39 1 25 11 40 1 26 12 14 1 27 12 41 1 28 12 42 1 29 13 43 1 30 13 44 1 31 14 45 1 32 14 46 1 33 15 17 ar 34 15 19 ar 35 16 22 1 36 16 47 1 37 16 48 1 38 17 18 ar 39 17 49 1 40 18 20 ar 41 19 21 ar 42 19 50 1 43 20 21 ar 44 21 24 1 45 22 27 1 46 22 51 1 47 22 52 1 48 23 25 2 49 24 55 1 50 24 56 1 51 24 57 1 52 25 26 1 53 25 28 1 54 26 31 2 55 29 30 1 56 29 59 1 57 29 60 1 58 30 32 1 59 30 61 1 60 31 33 1 61 31 62 1 62 32 34 ar 63 32 35 ar 64 33 63 1 65 34 36 ar 66 34 64 1 67 35 37 ar 68 35 65 1 69 36 38 ar 70 37 38 ar 71 37 67 1 72 38 68 1