@MOLECULE 4-[(3s)-1-azabicyclo[2.2.2]oct-3-ylamino]-6-chloro-3-(1,3-dihydro-2h-benzimidazol-2-ylidene)-2(3h)-quinolinone 52 57 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.8022 -0.3989 -0.9390 Cl 1 UNL1111111111 -0.1020 2 O 0.7185 3.5877 1.0001 O.2 1 UNL1111111111 -0.5979 3 N 0.9555 -3.0521 1.5735 N.3 1 UNL1111111111 -0.3774 4 N -0.3941 -0.7094 -0.8004 N.pl3 1 UNL1111111111 -0.6133 5 N -1.4878 3.0948 0.8182 N.am 1 UNL1111111111 -0.5287 6 N 2.6160 2.1446 0.2144 N.ar 1 UNL1111111111 -0.3664 7 N 2.2120 0.1242 -0.6724 N.ar 1 UNL1111111111 -0.3915 8 C -0.5119 -3.1789 -0.5580 C.3 1 UNL1111111111 -0.1057 9 C -0.7110 -1.8123 0.1529 C.3 1 UNL1111111111 0.0057 10 C 0.9723 -3.3795 -0.9168 C.3 1 UNL1111111111 -0.3167 11 C -0.9288 -4.2735 0.4433 C.3 1 UNL1111111111 -0.3238 12 C 0.2338 -1.7712 1.3929 C.3 1 UNL1111111111 -0.1361 13 C 1.8080 -3.3089 0.3868 C.3 1 UNL1111111111 -0.1179 14 C -0.0356 -4.1502 1.7047 C.3 1 UNL1111111111 -0.1181 15 C -0.7854 0.5892 -0.2898 C.2 1 UNL1111111111 0.3433 16 C 0.2310 1.4832 0.0615 C.2 1 UNL1111111111 -0.4419 17 C -2.1322 0.9540 -0.1672 C.ar 1 UNL1111111111 -0.3028 18 C 1.6169 1.2512 -0.1254 C.ar 1 UNL1111111111 0.4521 19 C -2.4187 2.2406 0.4239 C.ar 1 UNL1111111111 0.3130 20 C -0.1467 2.7882 0.6547 C.2 1 UNL1111111111 0.6414 21 C -3.2251 0.1397 -0.6009 C.ar 1 UNL1111111111 -0.1044 22 C -3.8082 2.6325 0.6097 C.ar 1 UNL1111111111 -0.1667 23 C 3.8604 1.5819 -0.0944 C.ar 1 UNL1111111111 0.0813 24 C 3.6043 0.2869 -0.6497 C.ar 1 UNL1111111111 0.0745 25 C -4.4948 0.5752 -0.4116 C.ar 1 UNL1111111111 -0.0348 26 C -4.8155 1.8225 0.2047 C.ar 1 UNL1111111111 -0.1197 27 C 5.1631 2.0535 0.0571 C.ar 1 UNL1111111111 -0.1513 28 C 4.6464 -0.5448 -1.0531 C.ar 1 UNL1111111111 -0.1602 29 C 6.1901 1.2129 -0.3482 C.ar 1 UNL1111111111 -0.1386 30 C 5.9371 -0.0610 -0.8914 C.ar 1 UNL1111111111 -0.1332 31 H -1.1382 -3.2365 -1.4723 H 1 UNL1111111111 0.1359 32 H -1.7712 -1.7365 0.5077 H 1 UNL1111111111 0.1400 33 H 1.3016 -2.6214 -1.6445 H 1 UNL1111111111 0.1344 34 H 1.1141 -4.3539 -1.4141 H 1 UNL1111111111 0.1425 35 H -0.8200 -5.2708 -0.0139 H 1 UNL1111111111 0.1440 36 H -1.9951 -4.1776 0.7083 H 1 UNL1111111111 0.1474 37 H 0.9745 -0.9509 1.3228 H 1 UNL1111111111 0.1533 38 H -0.3514 -1.5665 2.3150 H 1 UNL1111111111 0.1550 39 H 2.3580 -4.2577 0.5548 H 1 UNL1111111111 0.1402 40 H 2.5775 -2.5135 0.3331 H 1 UNL1111111111 0.1312 41 H -0.6489 -3.9583 2.6092 H 1 UNL1111111111 0.1452 42 H 0.5143 -5.0937 1.8952 H 1 UNL1111111111 0.1389 43 H -0.8227 -0.8852 -1.7174 H 1 UNL1111111111 0.2863 44 H -3.0206 -0.8106 -1.0912 H 1 UNL1111111111 0.1534 45 H 2.3958 3.0650 0.6340 H 1 UNL1111111111 0.3985 46 H 1.6779 -0.7056 -0.9274 H 1 UNL1111111111 0.3765 47 H -3.9829 3.6025 1.0804 H 1 UNL1111111111 0.1863 48 H -5.8627 2.1005 0.3328 H 1 UNL1111111111 0.1701 49 H 5.3619 3.0378 0.4753 H 1 UNL1111111111 0.1744 50 H 4.4559 -1.5269 -1.4760 H 1 UNL1111111111 0.1674 51 H 7.2248 1.5425 -0.2455 H 1 UNL1111111111 0.1595 52 H 6.7835 -0.6795 -1.1921 H 1 UNL1111111111 0.1572 @BOND 1 1 25 1 2 2 20 2 3 3 12 1 4 3 13 1 5 3 14 1 6 4 9 1 7 4 15 1 8 4 43 1 9 5 19 2 10 5 20 1 11 6 18 ar 12 6 23 ar 13 6 45 1 14 7 18 ar 15 7 24 ar 16 7 46 1 17 8 9 1 18 8 10 1 19 8 11 1 20 8 31 1 21 9 12 1 22 9 32 1 23 10 13 1 24 10 33 1 25 10 34 1 26 11 14 1 27 11 35 1 28 11 36 1 29 12 37 1 30 12 38 1 31 13 39 1 32 13 40 1 33 14 41 1 34 14 42 1 35 15 16 1 36 15 17 2 37 16 18 2 38 16 20 1 39 17 19 ar 40 17 21 ar 41 19 22 ar 42 21 25 ar 43 21 44 1 44 22 26 ar 45 22 47 1 46 23 24 ar 47 23 27 ar 48 24 28 ar 49 25 26 ar 50 26 48 1 51 27 29 ar 52 27 49 1 53 28 30 ar 54 28 50 1 55 29 30 ar 56 29 51 1 57 30 52 1