@MOLECULE n-[(3z)-3-amino-3-iminopropyl]-1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(2s)-2-oxiranylcarbonyl]amino}-1h-pyrrol-2-yl)carbonyl]amino}-1h-pyrrol-2-yl)carbonyl]amino}-1h-pyrrole-2-carboxamide 67 70 0 0 0 SMALL GASTEIGER @ATOM 1 O -10.6854 -1.2908 2.0003 O.3 1 UNL1111111111 -0.2544 2 O -7.8902 -1.5697 0.9846 O.2 1 UNL1111111111 -0.4524 3 O -2.6863 1.7069 -0.7129 O.2 1 UNL1111111111 -0.5241 4 O 2.8430 -1.5486 -0.3116 O.2 1 UNL1111111111 -0.5320 5 O 7.9627 1.8969 1.1878 O.2 1 UNL1111111111 -0.5493 6 N -8.4739 0.2234 -0.3003 N.am 1 UNL1111111111 -0.5436 7 N -5.5381 1.9367 -1.4425 N.ar 1 UNL1111111111 -0.0880 8 N 0.0154 -2.3346 -0.0805 N.ar 1 UNL1111111111 -0.0863 9 N -3.0660 -0.5387 -0.4739 N.am 1 UNL1111111111 -0.5148 10 N 5.0911 2.5493 1.0656 N.ar 1 UNL1111111111 -0.0894 11 N 2.2051 0.5478 0.3405 N.am 1 UNL1111111111 -0.5164 12 N 7.6163 0.4966 -0.5635 N.am 1 UNL1111111111 -0.5956 13 N 7.8609 -2.6387 0.4526 N.pl3 1 UNL1111111111 -0.6911 14 N 9.3227 -2.8606 -1.4290 N.2 1 UNL1111111111 -0.6489 15 C -10.2333 -1.1229 0.6609 C.3 1 UNL1111111111 -0.1077 16 C -11.0990 -0.1052 1.3135 C.3 1 UNL1111111111 -0.1529 17 C -8.7521 -0.8758 0.5065 C.2 1 UNL1111111111 0.5628 18 C -7.1764 0.6576 -0.5821 C.ar 1 UNL1111111111 0.1158 19 C -4.9334 0.9247 -0.7219 C.ar 1 UNL1111111111 -0.1174 20 C -5.9416 0.1180 -0.1584 C.ar 1 UNL1111111111 -0.2196 21 C -6.9040 1.7924 -1.3860 C.ar 1 UNL1111111111 -0.1987 22 C 0.5191 -1.0528 -0.1913 C.ar 1 UNL1111111111 -0.1267 23 C -1.7363 -0.9448 -0.3504 C.ar 1 UNL1111111111 0.1222 24 C -3.4674 0.7800 -0.6300 C.2 1 UNL1111111111 0.6057 25 C -0.5598 -0.1633 -0.3724 C.ar 1 UNL1111111111 -0.2205 26 C -1.3545 -2.2986 -0.1668 C.ar 1 UNL1111111111 -0.1880 27 C 3.4847 1.0725 0.5159 C.ar 1 UNL1111111111 0.1307 28 C 5.7185 1.4252 0.5655 C.ar 1 UNL1111111111 -0.1265 29 C -4.8358 2.9745 -2.1709 C.3 1 UNL1111111111 -0.2597 30 C 1.9551 -0.7496 -0.0852 C.2 1 UNL1111111111 0.6092 31 C 4.7357 0.4795 0.2185 C.ar 1 UNL1111111111 -0.2270 32 C 3.7294 2.3661 1.0446 C.ar 1 UNL1111111111 -0.1888 33 C 0.8106 -3.5350 0.0845 C.3 1 UNL1111111111 -0.2599 34 C 7.1797 1.3113 0.4598 C.2 1 UNL1111111111 0.5984 35 C 5.7703 3.7374 1.5423 C.3 1 UNL1111111111 -0.2590 36 C 9.0439 0.2677 -0.7900 C.3 1 UNL1111111111 -0.0398 37 C 9.5694 -0.9313 0.0262 C.3 1 UNL1111111111 -0.3275 38 C 8.8978 -2.2137 -0.4012 C.2 1 UNL1111111111 0.4237 39 H -10.6325 -1.8513 -0.0547 H 1 UNL1111111111 0.1811 40 H -12.1605 -0.0420 1.0837 H 1 UNL1111111111 0.1572 41 H -10.6815 0.8210 1.7076 H 1 UNL1111111111 0.1616 42 H -9.2285 0.7701 -0.6969 H 1 UNL1111111111 0.3110 43 H -5.8116 -0.7291 0.4873 H 1 UNL1111111111 0.1950 44 H -7.5876 2.4494 -1.8769 H 1 UNL1111111111 0.1697 45 H -0.5187 0.8994 -0.5147 H 1 UNL1111111111 0.1910 46 H -1.9741 -3.1675 -0.1011 H 1 UNL1111111111 0.1751 47 H -3.7745 -1.2632 -0.3863 H 1 UNL1111111111 0.3227 48 H -5.5243 3.5778 -2.7840 H 1 UNL1111111111 0.1547 49 H -4.0635 2.5332 -2.8327 H 1 UNL1111111111 0.1775 50 H -4.3056 3.6495 -1.4627 H 1 UNL1111111111 0.1832 51 H 4.8921 -0.4994 -0.1841 H 1 UNL1111111111 0.1860 52 H 3.0244 3.1002 1.3732 H 1 UNL1111111111 0.1752 53 H 1.4214 1.1702 0.5159 H 1 UNL1111111111 0.3226 54 H 1.3986 -3.7420 -0.8352 H 1 UNL1111111111 0.1796 55 H 1.5498 -3.4035 0.9014 H 1 UNL1111111111 0.1793 56 H 0.1816 -4.4110 0.3112 H 1 UNL1111111111 0.1562 57 H 6.3760 3.4966 2.4433 H 1 UNL1111111111 0.1841 58 H 6.4770 4.1174 0.7770 H 1 UNL1111111111 0.1721 59 H 5.0549 4.5366 1.7969 H 1 UNL1111111111 0.1564 60 H 9.2150 0.0960 -1.8776 H 1 UNL1111111111 0.1544 61 H 9.6156 1.1859 -0.5056 H 1 UNL1111111111 0.1631 62 H 6.9636 0.0073 -1.1574 H 1 UNL1111111111 0.3201 63 H 10.6652 -1.0233 -0.1279 H 1 UNL1111111111 0.1795 64 H 9.4319 -0.7415 1.1115 H 1 UNL1111111111 0.1755 65 H 7.2333 -3.3498 0.1345 H 1 UNL1111111111 0.2853 66 H 7.4140 -1.9419 1.0222 H 1 UNL1111111111 0.2981 67 H 8.8951 -3.7144 -1.7282 H 1 UNL1111111111 0.2703 @BOND 1 1 15 1 2 1 16 1 3 2 17 2 4 3 24 2 5 4 30 2 6 5 34 2 7 6 17 am 8 6 18 1 9 6 42 1 10 7 19 ar 11 7 21 ar 12 7 29 1 13 8 22 ar 14 8 26 ar 15 8 33 1 16 9 23 1 17 9 24 am 18 9 47 1 19 10 28 ar 20 10 32 ar 21 10 35 1 22 11 27 1 23 11 30 am 24 11 53 1 25 12 34 am 26 12 36 1 27 12 62 1 28 13 38 1 29 13 65 1 30 13 66 1 31 14 38 2 32 14 67 1 33 15 16 1 34 15 17 1 35 15 39 1 36 16 40 1 37 16 41 1 38 18 20 ar 39 18 21 ar 40 19 20 ar 41 19 24 1 42 20 43 1 43 21 44 1 44 22 25 ar 45 22 30 1 46 23 25 ar 47 23 26 ar 48 25 45 1 49 26 46 1 50 27 31 ar 51 27 32 ar 52 28 31 ar 53 28 34 1 54 29 48 1 55 29 49 1 56 29 50 1 57 31 51 1 58 32 52 1 59 33 54 1 60 33 55 1 61 33 56 1 62 35 57 1 63 35 58 1 64 35 59 1 65 36 37 1 66 36 60 1 67 36 61 1 68 37 38 1 69 37 63 1 70 37 64 1