@MOLECULE n-[5-({5-[(3-aminopropyl)carbamoyl]-1-methyl-1h-pyrrol-2-yl}carbamoyl)-1-methyl-1h-pyrrol-3-yl]-4-[(bromoacetyl)amino]-1-methyl-1h-pyrrole-2-carboxamide 65 67 0 0 0 SMALL GASTEIGER @ATOM 1 BR -9.1685 2.0420 1.1677 Br 1 UNL111111111 -0.0451 2 O 3.7163 -3.4395 0.9400 O.2 1 UNL111111111 -0.5117 3 O 7.2348 2.0788 -1.4944 O.2 1 UNL111111111 -0.5628 4 O -1.1140 -0.1512 -1.7522 O.2 1 UNL111111111 -0.5296 5 O -6.6009 -0.4556 1.3271 O.2 1 UNL111111111 -0.4839 6 N 5.4103 0.0497 -0.4941 N.ar 1 UNL111111111 -0.1904 7 N 0.8432 -3.4336 1.3007 N.ar 1 UNL111111111 -0.0807 8 N 3.5485 -1.4599 -0.1940 N.am 1 UNL111111111 -0.5502 9 N -3.8782 0.2314 -2.5810 N.ar 1 UNL111111111 -0.0866 10 N -1.8857 -1.6331 -0.1889 N.am 1 UNL111111111 -0.5159 11 N 8.9272 1.1057 -0.3549 N.am 1 UNL111111111 -0.5913 12 N -6.9968 0.3088 -0.7795 N.am 1 UNL111111111 -0.5265 13 N 9.9516 4.0380 2.8123 N.3 1 UNL111111111 -0.6481 14 C 4.9224 -1.2283 -0.2559 C.ar 1 UNL111111111 0.2473 15 C 1.5549 -2.6094 0.4464 C.ar 1 UNL111111111 -0.1315 16 C 6.8030 -0.0302 -0.5272 C.ar 1 UNL111111111 -0.1363 17 C -0.6460 -2.1597 0.1841 C.ar 1 UNL111111111 0.1234 18 C 0.6413 -1.8173 -0.2808 C.ar 1 UNL111111111 -0.2148 19 C -0.4973 -3.1705 1.1696 C.ar 1 UNL111111111 -0.1864 20 C 6.0046 -2.1125 -0.0975 C.ar 1 UNL111111111 -0.2502 21 C 3.0198 -2.5891 0.4273 C.2 1 UNL111111111 0.6102 22 C 7.1814 -1.3557 -0.2692 C.ar 1 UNL111111111 -0.1620 23 C -3.4449 -0.2380 -1.3563 C.ar 1 UNL111111111 -0.1234 24 C 7.6340 1.1315 -0.8375 C.2 1 UNL111111111 0.6052 25 C 9.7993 2.2608 -0.5787 C.3 1 UNL111111111 -0.0545 26 C 4.6141 1.2396 -0.7233 C.3 1 UNL111111111 -0.2566 27 C 9.5811 3.3586 0.4760 C.3 1 UNL111111111 -0.3151 28 C -2.0436 -0.6261 -1.1302 C.2 1 UNL111111111 0.6079 29 C -4.5447 -0.2682 -0.4777 C.ar 1 UNL111111111 -0.2104 30 C -5.6680 0.1808 -1.2106 C.ar 1 UNL111111111 0.1066 31 C 1.4148 -4.4292 2.1881 C.3 1 UNL111111111 -0.2582 32 C -5.2274 0.4866 -2.5224 C.ar 1 UNL111111111 -0.1873 33 C 9.9958 2.8876 1.8790 C.3 1 UNL111111111 -0.0984 34 C -3.0354 0.4335 -3.7437 C.3 1 UNL111111111 -0.2577 35 C -7.3821 -0.0258 0.5100 C.2 1 UNL111111111 0.5770 36 C -8.8468 0.1556 0.8298 C.3 1 UNL111111111 -0.3587 37 H 0.8572 -1.1041 -1.0513 H 1 UNL111111111 0.1898 38 H -1.2563 -3.6715 1.7304 H 1 UNL111111111 0.1749 39 H 2.9224 -0.7875 -0.6340 H 1 UNL111111111 0.3282 40 H 5.9281 -3.1599 0.1167 H 1 UNL111111111 0.1918 41 H 8.1805 -1.7355 -0.2270 H 1 UNL111111111 0.1591 42 H 10.8565 1.9159 -0.5767 H 1 UNL111111111 0.1344 43 H 9.5955 2.6800 -1.5969 H 1 UNL111111111 0.1663 44 H -2.7023 -1.9817 0.3054 H 1 UNL111111111 0.3231 45 H 5.2251 2.1586 -0.5839 H 1 UNL111111111 0.1937 46 H 3.7677 1.2930 -0.0149 H 1 UNL111111111 0.1567 47 H 4.2403 1.2775 -1.7639 H 1 UNL111111111 0.1646 48 H 10.1687 4.2576 0.1991 H 1 UNL111111111 0.1619 49 H 8.5210 3.6795 0.4669 H 1 UNL111111111 0.1585 50 H 9.2356 0.3924 0.2751 H 1 UNL111111111 0.3107 51 H -4.5357 -0.5543 0.5561 H 1 UNL111111111 0.1960 52 H 1.8635 -5.2564 1.5986 H 1 UNL111111111 0.1787 53 H 2.2381 -3.9904 2.7918 H 1 UNL111111111 0.1854 54 H 0.6563 -4.8463 2.8704 H 1 UNL111111111 0.1546 55 H -5.7894 0.8453 -3.3568 H 1 UNL111111111 0.1718 56 H 11.0439 2.5138 1.8607 H 1 UNL111111111 0.1365 57 H 9.3547 2.0431 2.2084 H 1 UNL111111111 0.1089 58 H -2.2861 1.2304 -3.5420 H 1 UNL111111111 0.1851 59 H -2.4608 -0.4867 -3.9770 H 1 UNL111111111 0.1768 60 H -3.6349 0.7160 -4.6250 H 1 UNL111111111 0.1553 61 H -7.6554 0.7049 -1.4360 H 1 UNL111111111 0.3147 62 H 10.1815 3.7606 3.7530 H 1 UNL111111111 0.2451 63 H 9.0453 4.4778 2.8198 H 1 UNL111111111 0.2470 64 H -9.1037 -0.4007 1.7536 H 1 UNL111111111 0.1996 65 H -9.5279 -0.1741 0.0331 H 1 UNL111111111 0.1775 @BOND 1 1 36 1 2 2 21 2 3 3 24 2 4 4 28 2 5 5 35 2 6 6 14 ar 7 6 16 ar 8 6 26 1 9 7 15 ar 10 7 19 ar 11 7 31 1 12 8 14 1 13 8 21 am 14 8 39 1 15 9 23 ar 16 9 32 ar 17 9 34 1 18 10 17 1 19 10 28 am 20 10 44 1 21 11 24 am 22 11 25 1 23 11 50 1 24 12 30 1 25 12 35 am 26 12 61 1 27 13 33 1 28 13 62 1 29 13 63 1 30 14 20 ar 31 15 18 ar 32 15 21 1 33 16 22 ar 34 16 24 1 35 17 18 ar 36 17 19 ar 37 18 37 1 38 19 38 1 39 20 22 ar 40 20 40 1 41 22 41 1 42 23 28 1 43 23 29 ar 44 25 27 1 45 25 42 1 46 25 43 1 47 26 45 1 48 26 46 1 49 26 47 1 50 27 33 1 51 27 48 1 52 27 49 1 53 29 30 ar 54 29 51 1 55 30 32 ar 56 31 52 1 57 31 53 1 58 31 54 1 59 32 55 1 60 33 56 1 61 33 57 1 62 34 58 1 63 34 59 1 64 34 60 1 65 35 36 1 66 36 64 1 67 36 65 1