@MOLECULE 1-[5-(4-chlorobenzoyl)-1,2,4-trimethyl-1h-pyrrol-3-yl]-2-(1-piperidinyl)ethanone 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 CL -5.4388 1.0250 -0.1996 Cl 1 UNL1111111111 -0.0958 2 O 4.4581 0.3226 -1.3127 O.2 1 UNL1111111111 -0.5010 3 O -0.8077 -3.6580 0.4695 O.2 1 UNL1111111111 -0.4752 4 N 1.6740 2.2029 -0.3397 N.3 1 UNL1111111111 -0.4099 5 N 1.8026 -2.4149 0.5448 N.ar 1 UNL1111111111 -0.1494 6 C 2.2755 2.2919 1.0138 C.3 1 UNL1111111111 -0.1116 7 C 0.9815 3.4691 -0.6897 C.3 1 UNL1111111111 -0.1095 8 C 1.1520 2.4882 2.0488 C.3 1 UNL1111111111 -0.2646 9 C -0.1808 3.6834 0.2987 C.3 1 UNL1111111111 -0.2684 10 C 0.3502 3.7564 1.7349 C.3 1 UNL1111111111 -0.2647 11 C 2.6902 1.8670 -1.3603 C.3 1 UNL1111111111 -0.2262 12 C 2.4222 -0.6076 -0.6501 C.ar 1 UNL1111111111 -0.3287 13 C 3.2690 0.4695 -1.1219 C.2 1 UNL1111111111 0.5159 14 C 2.8770 -1.6404 0.2132 C.ar 1 UNL1111111111 0.1868 15 C 1.0342 -0.8108 -0.8665 C.ar 1 UNL1111111111 0.1541 16 C 0.6480 -1.9119 -0.0808 C.ar 1 UNL1111111111 -0.2277 17 C 4.2411 -1.8859 0.7154 C.3 1 UNL1111111111 -0.4670 18 C 0.1714 -0.0674 -1.7988 C.3 1 UNL1111111111 -0.4552 19 C 1.7990 -3.5817 1.4064 C.3 1 UNL1111111111 -0.2554 20 C -0.6613 -2.4959 0.1520 C.2 1 UNL1111111111 0.4964 21 C -1.8459 -1.6006 0.0472 C.ar 1 UNL1111111111 -0.1440 22 C -3.0092 -2.0832 -0.5527 C.ar 1 UNL1111111111 -0.0714 23 C -1.7996 -0.3143 0.5900 C.ar 1 UNL1111111111 -0.0773 24 C -4.1357 -1.2656 -0.6378 C.ar 1 UNL1111111111 -0.1980 25 C -2.9210 0.5087 0.5216 C.ar 1 UNL1111111111 -0.1935 26 C -4.0611 0.0117 -0.0986 C.ar 1 UNL1111111111 0.0582 27 H 3.0246 3.1064 1.0985 H 1 UNL1111111111 0.1144 28 H 2.8063 1.3363 1.2216 H 1 UNL1111111111 0.1407 29 H 0.5803 3.3761 -1.7217 H 1 UNL1111111111 0.1319 30 H 1.6593 4.3479 -0.6793 H 1 UNL1111111111 0.1127 31 H 0.4833 1.6057 2.0349 H 1 UNL1111111111 0.1474 32 H 1.5833 2.5385 3.0633 H 1 UNL1111111111 0.1303 33 H -0.7317 4.6029 0.0374 H 1 UNL1111111111 0.1296 34 H -0.9008 2.8465 0.2063 H 1 UNL1111111111 0.1476 35 H -0.4856 3.8688 2.4486 H 1 UNL1111111111 0.1327 36 H 0.9841 4.6524 1.8643 H 1 UNL1111111111 0.1324 37 H 2.2085 1.8700 -2.3651 H 1 UNL1111111111 0.1637 38 H 3.5281 2.5986 -1.4077 H 1 UNL1111111111 0.1461 39 H 4.3216 -1.7436 1.8028 H 1 UNL1111111111 0.1634 40 H 4.6011 -2.8976 0.4725 H 1 UNL1111111111 0.1677 41 H 4.9684 -1.1907 0.2458 H 1 UNL1111111111 0.2066 42 H 0.6904 0.1586 -2.7420 H 1 UNL1111111111 0.1633 43 H -0.7493 -0.6084 -2.0571 H 1 UNL1111111111 0.1606 44 H -0.1277 0.9050 -1.3591 H 1 UNL1111111111 0.1940 45 H 2.7996 -3.7891 1.8179 H 1 UNL1111111111 0.1535 46 H 1.0900 -3.4461 2.2472 H 1 UNL1111111111 0.1694 47 H 1.4541 -4.4753 0.8419 H 1 UNL1111111111 0.1828 48 H -3.0349 -3.1017 -0.9474 H 1 UNL1111111111 0.1718 49 H -0.8803 0.0500 1.0579 H 1 UNL1111111111 0.1744 50 H -5.0466 -1.6297 -1.1105 H 1 UNL1111111111 0.1729 51 H -2.8959 1.5125 0.9431 H 1 UNL1111111111 0.1731 @BOND 1 1 26 1 2 2 13 2 3 3 20 2 4 4 6 1 5 4 7 1 6 4 11 1 7 5 14 ar 8 5 16 ar 9 5 19 1 10 6 8 1 11 6 27 1 12 6 28 1 13 7 9 1 14 7 29 1 15 7 30 1 16 8 10 1 17 8 31 1 18 8 32 1 19 9 10 1 20 9 33 1 21 9 34 1 22 10 35 1 23 10 36 1 24 11 13 1 25 11 37 1 26 11 38 1 27 12 13 1 28 12 14 ar 29 12 15 ar 30 14 17 1 31 15 16 ar 32 15 18 1 33 16 20 1 34 17 39 1 35 17 40 1 36 17 41 1 37 18 42 1 38 18 43 1 39 18 44 1 40 19 45 1 41 19 46 1 42 19 47 1 43 20 21 1 44 21 22 ar 45 21 23 ar 46 22 24 ar 47 22 48 1 48 23 25 ar 49 23 49 1 50 24 26 ar 51 24 50 1 52 25 26 ar 53 25 51 1