@MOLECULE n-(5-{[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1h-pyrrol-3-yl}carbamoyl)-4-hydroxy-1-methyl-1h-pyrrol-3-yl]carbamoyl}-1-methyl-1h-pyrrol-3-yl)-1-methyl-1h-imidazole-2-carboxamide 89 92 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.4665 -1.2753 0.8658 N.am 1 UNL1111111111 -0.4775 2 C -2.0719 -1.5597 0.1972 C.ar 1 UNL1111111111 0.2550 3 C -3.0021 -3.2789 1.3495 C.ar 1 UNL1111111111 -0.0342 4 N -1.7085 -3.6219 1.0447 N.ar 1 UNL1111111111 -0.1599 5 C -3.2732 -1.9998 0.8159 C.ar 1 UNL1111111111 -0.0138 6 C -1.0406 -4.7985 1.5627 C.3 1 UNL1111111111 -0.2533 7 C -1.1021 -2.5814 0.3340 C.ar 1 UNL1111111111 -0.2901 8 C 0.2295 -2.4137 -0.2170 C.2 1 UNL1111111111 0.6390 9 O 0.6093 -1.2991 -0.5619 O.2 1 UNL1111111111 -0.5711 10 N 1.0530 -3.5210 -0.3636 N.am 1 UNL1111111111 -0.5251 11 C 2.3531 -3.4183 -0.8729 C.ar 1 UNL1111111111 0.1109 12 C 3.1396 -2.2543 -1.0218 C.ar 1 UNL1111111111 -0.2048 13 C 3.1287 -4.5249 -1.3014 C.ar 1 UNL1111111111 -0.1925 14 N 4.3539 -4.0406 -1.6932 N.ar 1 UNL1111111111 -0.0882 15 C 5.4447 -4.8415 -2.2120 C.3 1 UNL1111111111 -0.2577 16 C 4.3834 -2.6669 -1.5351 C.ar 1 UNL1111111111 -0.1256 17 C 5.5747 -1.8700 -1.8501 C.2 1 UNL1111111111 0.6049 18 O 6.6397 -2.3739 -2.1740 O.2 1 UNL1111111111 -0.5733 19 N 12.3040 4.1584 2.6041 N.3 1 UNL1111111111 -0.3881 20 C 13.6512 4.7379 2.7977 C.3 1 UNL1111111111 -0.2823 21 C 11.2679 5.1237 3.0301 C.3 1 UNL1111111111 -0.2811 22 C 12.1081 3.7475 1.1903 C.3 1 UNL1111111111 -0.1175 23 C 10.8810 2.0996 -0.2742 C.3 1 UNL1111111111 -0.0662 24 C 11.0078 2.6722 1.1471 C.3 1 UNL1111111111 -0.3156 25 N 9.8310 1.0773 -0.3191 N.am 1 UNL1111111111 -0.6040 26 C -7.6421 -1.7637 3.7834 C.3 1 UNL1111111111 -0.2594 27 N -7.6716 -0.8676 2.6449 N.ar 1 UNL1111111111 -0.0894 28 C -8.6764 0.0242 2.3604 C.ar 1 UNL1111111111 -0.1773 29 N -9.1162 1.6742 0.5586 N.am 1 UNL1111111111 -0.4876 30 C -8.3231 0.6938 1.1612 C.ar 1 UNL1111111111 0.1093 31 C -7.0755 0.1859 0.7323 C.ar 1 UNL1111111111 -0.2016 32 C -6.6873 -0.7851 1.6743 C.ar 1 UNL1111111111 -0.1201 33 C -5.4949 -1.6375 1.7109 C.2 1 UNL1111111111 0.6007 34 O -5.4059 -2.6157 2.4380 O.2 1 UNL1111111111 -0.5809 35 C -8.3391 4.0428 -3.0819 C.3 1 UNL1111111111 -0.2565 36 N -9.5082 4.0937 -2.2277 N.ar 1 UNL1111111111 -0.1424 37 C -10.6129 4.9057 -2.3875 C.ar 1 UNL1111111111 -0.1479 38 C -11.4779 4.6042 -1.3175 C.ar 1 UNL1111111111 -0.0637 39 N -10.9104 3.6344 -0.5289 N.ar 1 UNL1111111111 -0.3640 40 C -9.7124 3.3264 -1.0874 C.ar 1 UNL1111111111 0.0189 41 C -8.7396 2.3263 -0.5954 C.2 1 UNL1111111111 0.5993 42 O -7.6955 2.1144 -1.1828 O.2 1 UNL1111111111 -0.5292 43 O 8.4178 2.3999 -1.4896 O.2 1 UNL1111111111 -0.5476 44 C 8.6134 1.3506 -0.9089 C.2 1 UNL1111111111 0.5921 45 C 7.5685 0.2686 -0.7877 C.3 1 UNL1111111111 -0.4035 46 C 6.5958 0.3596 -1.9815 C.3 1 UNL1111111111 -0.0223 47 N 5.4351 -0.5037 -1.7607 N.am 1 UNL1111111111 -0.5786 48 O -1.9178 -0.3847 -0.4127 O.3 1 UNL1111111111 -0.4445 49 H -4.5204 -0.4410 0.2884 H 1 UNL1111111111 0.3369 50 H -3.6692 -3.9146 1.9115 H 1 UNL1111111111 0.2039 51 H -1.6321 -5.2600 2.3778 H 1 UNL1111111111 0.1679 52 H -0.9169 -5.5622 0.7711 H 1 UNL1111111111 0.1531 53 H -0.0491 -4.5435 1.9866 H 1 UNL1111111111 0.1678 54 H 0.6959 -4.4504 -0.2071 H 1 UNL1111111111 0.3081 55 H 2.8314 -1.2539 -0.7884 H 1 UNL1111111111 0.1937 56 H 2.8648 -5.5590 -1.3391 H 1 UNL1111111111 0.1699 57 H 5.7448 -4.4830 -3.2203 H 1 UNL1111111111 0.1823 58 H 6.3449 -4.7360 -1.5690 H 1 UNL1111111111 0.1818 59 H 5.1711 -5.9063 -2.2768 H 1 UNL1111111111 0.1524 60 H 13.7719 5.0220 3.8564 H 1 UNL1111111111 0.1448 61 H 14.4072 3.9638 2.5857 H 1 UNL1111111111 0.1439 62 H 13.8645 5.6194 2.1762 H 1 UNL1111111111 0.1185 63 H 10.2719 4.6673 2.9061 H 1 UNL1111111111 0.1469 64 H 11.3955 5.3312 4.1053 H 1 UNL1111111111 0.1441 65 H 11.2819 6.0790 2.4849 H 1 UNL1111111111 0.1201 66 H 11.8472 4.5960 0.5234 H 1 UNL1111111111 0.1201 67 H 13.0583 3.3170 0.8054 H 1 UNL1111111111 0.1344 68 H 10.6413 2.9138 -1.0013 H 1 UNL1111111111 0.1711 69 H 11.8405 1.6430 -0.6042 H 1 UNL1111111111 0.1339 70 H 11.2428 1.8756 1.8786 H 1 UNL1111111111 0.1567 71 H 10.0393 3.0965 1.4717 H 1 UNL1111111111 0.1538 72 H 9.9900 0.2405 0.2127 H 1 UNL1111111111 0.3079 73 H -7.6441 -2.8219 3.4428 H 1 UNL1111111111 0.1830 74 H -6.7046 -1.6295 4.3628 H 1 UNL1111111111 0.1789 75 H -8.5021 -1.5996 4.4515 H 1 UNL1111111111 0.1517 76 H -9.5465 0.1496 2.9686 H 1 UNL1111111111 0.1737 77 H -10.0069 1.9082 0.9962 H 1 UNL1111111111 0.3386 78 H -6.5425 0.4836 -0.1505 H 1 UNL1111111111 0.1956 79 H -7.4216 4.2789 -2.5005 H 1 UNL1111111111 0.1842 80 H -8.1942 3.0155 -3.4818 H 1 UNL1111111111 0.1852 81 H -8.4200 4.7482 -3.9243 H 1 UNL1111111111 0.1568 82 H -10.7252 5.6041 -3.1890 H 1 UNL1111111111 0.1796 83 H -12.4393 5.0225 -1.0890 H 1 UNL1111111111 0.1820 84 H 8.0119 -0.7493 -0.7593 H 1 UNL1111111111 0.1837 85 H 7.0208 0.3923 0.1688 H 1 UNL1111111111 0.1762 86 H 6.2518 1.4105 -2.1282 H 1 UNL1111111111 0.1639 87 H 7.1217 0.0517 -2.9173 H 1 UNL1111111111 0.1616 88 H 4.5770 -0.0801 -1.4485 H 1 UNL1111111111 0.3214 89 H -0.9376 -0.2822 -0.6754 H 1 UNL1111111111 0.3782 @BOND 1 1 5 1 2 1 33 am 3 1 49 1 4 2 5 ar 5 2 7 ar 6 2 48 1 7 3 4 ar 8 3 5 ar 9 3 50 1 10 4 6 1 11 4 7 ar 12 6 51 1 13 6 52 1 14 6 53 1 15 7 8 1 16 8 9 2 17 8 10 am 18 10 11 1 19 10 54 1 20 11 12 ar 21 11 13 ar 22 12 16 ar 23 12 55 1 24 13 14 ar 25 13 56 1 26 14 15 1 27 14 16 ar 28 15 57 1 29 15 58 1 30 15 59 1 31 16 17 1 32 17 18 2 33 17 47 am 34 19 20 1 35 19 21 1 36 19 22 1 37 20 60 1 38 20 61 1 39 20 62 1 40 21 63 1 41 21 64 1 42 21 65 1 43 22 24 1 44 22 66 1 45 22 67 1 46 23 24 1 47 23 25 1 48 23 68 1 49 23 69 1 50 24 70 1 51 24 71 1 52 25 44 am 53 25 72 1 54 26 27 1 55 26 73 1 56 26 74 1 57 26 75 1 58 27 28 ar 59 27 32 ar 60 28 30 ar 61 28 76 1 62 29 30 1 63 29 41 am 64 29 77 1 65 30 31 ar 66 31 32 ar 67 31 78 1 68 32 33 1 69 33 34 2 70 35 36 1 71 35 79 1 72 35 80 1 73 35 81 1 74 36 37 ar 75 36 40 ar 76 37 38 ar 77 37 82 1 78 38 39 ar 79 38 83 1 80 39 40 ar 81 40 41 1 82 41 42 2 83 43 44 2 84 44 45 1 85 45 46 1 86 45 84 1 87 45 85 1 88 46 47 1 89 46 86 1 90 46 87 1 91 47 88 1 92 48 89 1