@MOLECULE 2-(2-chlorophenyl)-4-[3-(dimethylamino)phenyl]-5-methyl-1h-pyrazolo[4,3-c]pyridine-3,6(2h,5h)-dione 47 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 2.3424 0.2224 -1.6947 Cl 1 UNL1 -0.0530 2 O 0.3125 -1.5161 0.6179 O.2 1 UNL1 -0.4168 3 O -0.8282 4.8046 0.2957 O.2 1 UNL1 -0.4996 4 N -1.3587 2.6327 -0.0403 N.ar 1 UNL1 -0.3736 5 N 2.0821 -0.1673 1.3163 N.ar 1 UNL1 -0.3544 6 N 2.3350 1.2571 1.2677 N.ar 1 UNL1 -0.3443 7 N -4.4914 -2.1176 0.8037 N.pl3 1 UNL1 -0.3818 8 C 0.1426 0.9139 0.5545 C.ar 1 UNL1 -0.4399 9 C -1.0671 1.3076 0.0173 C.ar 1 UNL1 0.3545 10 C 1.1146 1.8942 0.9537 C.ar 1 UNL1 0.3327 11 C 0.7243 -0.4025 0.7567 C.ar 1 UNL1 0.6018 12 C -2.0135 0.3006 -0.5058 C.ar 1 UNL1 -0.0180 13 C 0.8442 3.2298 0.9042 C.ar 1 UNL1 -0.4790 14 C -0.4256 3.6695 0.4020 C.ar 1 UNL1 0.6184 15 C 3.1309 -0.8741 0.6240 C.ar 1 UNL1 0.1219 16 C -2.7885 -0.4255 0.3886 C.ar 1 UNL1 -0.2346 17 C -2.6349 3.0872 -0.6053 C.3 1 UNL1 -0.2503 18 C -2.0576 0.0609 -1.8782 C.ar 1 UNL1 -0.2008 19 C -3.6378 -1.4455 -0.0892 C.ar 1 UNL1 0.2315 20 C -2.9062 -0.9367 -2.3520 C.ar 1 UNL1 -0.0742 21 C -3.6876 -1.6828 -1.4784 C.ar 1 UNL1 -0.2596 22 C 3.3556 -0.7742 -0.7534 C.ar 1 UNL1 -0.0067 23 C 3.9405 -1.7191 1.3885 C.ar 1 UNL1 -0.1232 24 C 4.3733 -1.4813 -1.3766 C.ar 1 UNL1 -0.1640 25 C 4.9581 -2.4405 0.7673 C.ar 1 UNL1 -0.1532 26 C -5.1170 -3.3579 0.3133 C.3 1 UNL1 -0.2594 27 C -3.9960 -2.2513 2.1876 C.3 1 UNL1 -0.2575 28 C 5.1779 -2.3190 -0.6042 C.ar 1 UNL1 -0.1259 29 H 2.8270 1.5422 2.1156 H 1 UNL1 0.3119 30 H 1.5479 4.0007 1.1974 H 1 UNL1 0.2024 31 H -2.7174 -0.2139 1.4527 H 1 UNL1 0.1697 32 H -2.9382 4.0479 -0.1403 H 1 UNL1 0.1831 33 H -2.5361 3.2607 -1.6919 H 1 UNL1 0.1592 34 H -3.4433 2.3559 -0.4312 H 1 UNL1 0.1631 35 H -1.4270 0.6232 -2.5620 H 1 UNL1 0.1655 36 H -2.9489 -1.1436 -3.4217 H 1 UNL1 0.1502 37 H -4.3295 -2.4594 -1.8835 H 1 UNL1 0.1575 38 H 3.7612 -1.8131 2.4605 H 1 UNL1 0.1747 39 H 4.5424 -1.3911 -2.4498 H 1 UNL1 0.1730 40 H 5.5863 -3.1043 1.3603 H 1 UNL1 0.1583 41 H -5.7649 -3.7860 1.0968 H 1 UNL1 0.1492 42 H -4.3873 -4.1250 0.0060 H 1 UNL1 0.1369 43 H -4.6578 -2.9089 2.7733 H 1 UNL1 0.1458 44 H -5.7753 -3.1235 -0.5423 H 1 UNL1 0.1510 45 H -4.0194 -1.2608 2.6771 H 1 UNL1 0.1533 46 H -2.9690 -2.6523 2.2440 H 1 UNL1 0.1473 47 H 5.9801 -2.8836 -1.0780 H 1 UNL1 0.1566 @BOND 1 36 20 1 2 35 18 1 3 39 24 1 4 20 18 ar 5 20 21 ar 6 37 21 1 7 18 12 ar 8 1 22 1 9 33 17 1 10 21 19 ar 11 24 22 ar 12 24 28 ar 13 47 28 1 14 22 15 ar 15 17 34 1 16 17 32 1 17 17 4 1 18 28 25 ar 19 44 26 1 20 12 9 1 21 12 16 ar 22 19 16 ar 23 19 7 1 24 4 9 ar 25 4 14 ar 26 42 26 1 27 9 8 ar 28 3 14 2 29 26 7 1 30 26 41 1 31 16 31 1 32 14 13 ar 33 8 11 ar 34 8 10 ar 35 2 11 2 36 15 5 1 37 15 23 ar 38 11 5 ar 39 25 40 1 40 25 23 ar 41 7 27 1 42 13 10 ar 43 13 30 1 44 10 6 ar 45 6 5 ar 46 6 29 1 47 23 38 1 48 27 46 1 49 27 45 1 50 27 43 1