@MOLECULE 1-{[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl}-4-methylpiperazine 53 56 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.4794 -3.0591 -1.0434 Cl 1 UNL1111111111 -0.0773 2 CL -3.9288 4.6601 -0.0799 Cl 1 UNL1111111111 -0.0965 3 N 4.3085 -0.3058 0.6493 N.3 1 UNL1111111111 -0.4125 4 N 6.4758 0.1606 -1.1853 N.3 1 UNL1111111111 -0.4025 5 N -0.2161 -0.9954 0.5396 N.ar 1 UNL1111111111 -0.2468 6 C 4.1342 -0.5108 -0.8092 C.3 1 UNL1111111111 -0.1225 7 C 5.7110 -0.6106 1.0278 C.3 1 UNL1111111111 -0.1245 8 C 3.3713 -1.1605 1.4301 C.3 1 UNL1111111111 -0.0966 9 C 5.0720 0.4593 -1.5643 C.3 1 UNL1111111111 -0.1258 10 C 6.6489 0.3629 0.2747 C.3 1 UNL1111111111 -0.1246 11 C 1.9634 -0.8316 1.0913 C.ar 1 UNL1111111111 -0.1217 12 C 0.9463 -1.7346 0.7707 C.ar 1 UNL1111111111 0.0813 13 C 1.4161 0.4816 1.0439 C.ar 1 UNL1111111111 -0.1736 14 C 0.0733 0.3707 0.6949 C.ar 1 UNL1111111111 0.0056 15 C 7.4114 1.0204 -1.9417 C.3 1 UNL1111111111 -0.2850 16 C 1.0024 -3.2035 0.6515 C.3 1 UNL1111111111 -0.4425 17 C -1.4727 -1.5149 0.1465 C.ar 1 UNL1111111111 0.1512 18 C -0.9135 1.4210 0.5292 C.ar 1 UNL1111111111 -0.0075 19 C -2.0847 -1.0258 -1.0174 C.ar 1 UNL1111111111 -0.1609 20 C -2.0968 -2.4924 0.9336 C.ar 1 UNL1111111111 -0.1726 21 C -0.6044 2.5170 -0.2858 C.ar 1 UNL1111111111 -0.1224 22 C -2.1526 1.3533 1.1769 C.ar 1 UNL1111111111 -0.1327 23 C -3.3353 -1.5071 -1.3885 C.ar 1 UNL1111111111 -0.1432 24 C -3.3445 -2.9799 0.5573 C.ar 1 UNL1111111111 -0.1488 25 C -1.5383 3.5321 -0.4748 C.ar 1 UNL1111111111 -0.1724 26 C -3.0962 2.3603 0.9921 C.ar 1 UNL1111111111 -0.1660 27 C -3.9385 -2.4731 -0.5918 C.ar 1 UNL1111111111 0.0138 28 C -2.7671 3.4247 0.1632 C.ar 1 UNL1111111111 0.0299 29 H 3.0778 -0.2827 -1.0726 H 1 UNL1111111111 0.1504 30 H 4.3413 -1.5548 -1.1246 H 1 UNL1111111111 0.1233 31 H 5.8241 -0.4561 2.1212 H 1 UNL1111111111 0.1339 32 H 6.0023 -1.6581 0.7993 H 1 UNL1111111111 0.1253 33 H 3.5479 -0.9356 2.5118 H 1 UNL1111111111 0.1516 34 H 3.5715 -2.2474 1.2928 H 1 UNL1111111111 0.1171 35 H 4.7791 1.5075 -1.3415 H 1 UNL1111111111 0.1272 36 H 4.9619 0.3016 -2.6572 H 1 UNL1111111111 0.1331 37 H 6.4346 1.4055 0.5934 H 1 UNL1111111111 0.1270 38 H 7.7029 0.1381 0.5390 H 1 UNL1111111111 0.1324 39 H 1.9620 1.3816 1.2440 H 1 UNL1111111111 0.1791 40 H 7.2919 0.8168 -3.0188 H 1 UNL1111111111 0.1457 41 H 7.2803 2.0993 -1.7731 H 1 UNL1111111111 0.1191 42 H 8.4452 0.7467 -1.6738 H 1 UNL1111111111 0.1451 43 H 0.2487 -3.6053 -0.0432 H 1 UNL1111111111 0.1642 44 H 1.9840 -3.5352 0.2743 H 1 UNL1111111111 0.1684 45 H 0.8477 -3.6955 1.6250 H 1 UNL1111111111 0.1630 46 H -1.5812 -0.2675 -1.6205 H 1 UNL1111111111 0.1819 47 H -1.6112 -2.8561 1.8396 H 1 UNL1111111111 0.1759 48 H 0.3704 2.5687 -0.7733 H 1 UNL1111111111 0.1709 49 H -2.3777 0.5101 1.8301 H 1 UNL1111111111 0.1639 50 H -3.8256 -1.1270 -2.2867 H 1 UNL1111111111 0.1799 51 H -3.8419 -3.7394 1.1621 H 1 UNL1111111111 0.1757 52 H -1.3042 4.3851 -1.1105 H 1 UNL1111111111 0.1703 53 H -4.0644 2.3064 1.4890 H 1 UNL1111111111 0.1731 @BOND 1 1 27 1 2 2 28 1 3 3 6 1 4 3 7 1 5 3 8 1 6 4 9 1 7 4 10 1 8 4 15 1 9 5 12 ar 10 5 14 ar 11 5 17 1 12 6 9 1 13 6 29 1 14 6 30 1 15 7 10 1 16 7 31 1 17 7 32 1 18 8 11 1 19 8 33 1 20 8 34 1 21 9 35 1 22 9 36 1 23 10 37 1 24 10 38 1 25 11 12 ar 26 11 13 ar 27 12 16 1 28 13 14 ar 29 13 39 1 30 14 18 1 31 15 40 1 32 15 41 1 33 15 42 1 34 16 43 1 35 16 44 1 36 16 45 1 37 17 19 ar 38 17 20 ar 39 18 21 ar 40 18 22 ar 41 19 23 ar 42 19 46 1 43 20 24 ar 44 20 47 1 45 21 25 ar 46 21 48 1 47 22 26 ar 48 22 49 1 49 23 27 ar 50 23 50 1 51 24 27 ar 52 24 51 1 53 25 28 ar 54 25 52 1 55 26 28 ar 56 26 53 1