@MOLECULE n-(4-{[(3z)-3-amino-3-iminopropyl]carbamoyl}-1-methyl-1h-pyrrol-3-yl)-4-{[n-(diaminomethylene)glycyl]amino}-1-methyl-1h-pyrrole-2-carboxamide 57 58 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.2736 3.7865 -0.3640 O.2 1 UNL11 -0.5663 2 O 1.6894 -1.1532 0.7085 O.2 1 UNL11 -0.5643 3 O -3.3328 -0.6752 -0.1602 O.2 1 UNL11 -0.4132 4 N -1.5286 3.8255 0.2077 N.ar 1 UNL11 -0.0912 5 N 4.9271 1.8918 -0.4049 N.ar 1 UNL11 -0.1356 6 N 1.3590 1.5451 -0.0004 N.am 1 UNL11 -0.5055 7 N 3.7529 -1.9209 1.2016 N.am 1 UNL11 -0.6142 8 N -4.1855 1.4138 0.1520 N.am 1 UNL11 -0.5816 9 N 4.3050 -3.4739 -1.5480 N.pl3 1 UNL11 -0.7113 10 N -5.7967 -1.8205 -0.3345 N.pl3 1 UNL11 -0.5266 11 N 4.8801 -5.3616 -0.2003 N.2 1 UNL11 -0.6637 12 N -8.1934 -2.1442 -0.0187 N.pl3 1 UNL11 -0.6760 13 N -6.7236 -3.9471 -0.4944 N.pl3 1 UNL11 -0.6195 14 C 2.7441 1.4655 -0.0874 C.ar 1 UNL11 0.2012 15 C 3.4957 0.2897 0.2497 C.ar 1 UNL11 -0.3230 16 C -0.7782 2.6794 0.0074 C.ar 1 UNL11 -0.1141 17 C 3.6564 2.4487 -0.4962 C.ar 1 UNL11 -0.1747 18 C 4.8516 0.5970 0.0352 C.ar 1 UNL11 -0.0685 19 C -2.9623 2.0906 0.1321 C.ar 1 UNL11 0.1305 20 C 0.6787 2.7441 -0.1410 C.2 1 UNL11 0.6098 21 C -1.6567 1.5782 -0.0424 C.ar 1 UNL11 -0.2036 22 C -2.8593 3.4969 0.2918 C.ar 1 UNL11 -0.2080 23 C 2.8949 -0.9452 0.7217 C.2 1 UNL11 0.6293 24 C -0.9940 5.1686 0.3107 C.3 1 UNL11 -0.2572 25 C 3.2204 -3.2278 1.5910 C.3 1 UNL11 -0.0342 26 C 6.1518 2.5769 -0.7670 C.3 1 UNL11 -0.2568 27 C 2.8882 -4.0973 0.3612 C.3 1 UNL11 -0.3285 28 C -4.2962 0.0234 -0.0126 C.2 1 UNL11 0.5865 29 C 4.1202 -4.3573 -0.4719 C.2 1 UNL11 0.4368 30 C -5.7655 -0.4298 0.0529 C.3 1 UNL11 -0.1740 31 C -6.8634 -2.5526 -0.2676 C.cat 1 UNL11 0.5117 32 H 3.4728 3.4564 -0.8168 H 1 UNL11 0.2036 33 H 5.7133 -0.0227 0.1728 H 1 UNL11 0.1599 34 H 0.8719 0.6683 0.2363 H 1 UNL11 0.3648 35 H -1.3948 0.5467 -0.1924 H 1 UNL11 0.2024 36 H -3.6342 4.2128 0.4505 H 1 UNL11 0.1650 37 H -0.5078 5.4656 -0.6439 H 1 UNL11 0.1827 38 H -1.7822 5.8983 0.5543 H 1 UNL11 0.1482 39 H -0.2050 5.2180 1.0903 H 1 UNL11 0.1778 40 H 3.9647 -3.7449 2.2373 H 1 UNL11 0.1458 41 H 2.2906 -3.0797 2.1950 H 1 UNL11 0.1664 42 H 6.3763 2.4299 -1.8423 H 1 UNL11 0.1617 43 H 7.0100 2.2050 -0.1782 H 1 UNL11 0.1597 44 H 6.0629 3.6649 -0.5833 H 1 UNL11 0.1667 45 H 4.7475 -1.8068 1.2028 H 1 UNL11 0.3048 46 H -5.0088 1.9852 0.2682 H 1 UNL11 0.3021 47 H 2.4637 -5.0674 0.7022 H 1 UNL11 0.1809 48 H 2.0852 -3.6130 -0.2374 H 1 UNL11 0.1857 49 H -6.3814 0.1949 -0.6387 H 1 UNL11 0.1522 50 H -6.1407 -0.2607 1.0893 H 1 UNL11 0.1445 51 H 3.8129 -2.6027 -1.5440 H 1 UNL11 0.3063 52 H 5.1475 -3.4919 -2.0772 H 1 UNL11 0.2885 53 H 5.6969 -5.5723 -0.7395 H 1 UNL11 0.2678 54 H -8.3192 -1.2843 0.4797 H 1 UNL11 0.2876 55 H -8.8532 -2.8512 0.2531 H 1 UNL11 0.2941 56 H -7.3581 -4.3395 -1.1702 H 1 UNL11 0.2810 57 H -5.7620 -4.2268 -0.6756 H 1 UNL11 0.3060 @BOND 1 1 20 2 2 2 23 2 3 3 28 2 4 4 16 ar 5 4 22 ar 6 4 24 1 7 5 17 ar 8 5 18 ar 9 5 26 1 10 6 14 1 11 6 20 am 12 6 34 1 13 7 23 am 14 7 25 1 15 7 45 1 16 8 19 1 17 8 28 am 18 8 46 1 19 9 29 1 20 9 51 1 21 9 52 1 22 10 30 1 23 10 31 2 24 11 29 2 25 11 53 1 26 12 31 1 27 12 54 1 28 12 55 1 29 13 31 1 30 13 56 1 31 13 57 1 32 14 15 ar 33 14 17 ar 34 15 18 ar 35 15 23 1 36 16 20 1 37 16 21 ar 38 17 32 1 39 18 33 1 40 19 21 ar 41 19 22 ar 42 21 35 1 43 22 36 1 44 24 37 1 45 24 38 1 46 24 39 1 47 25 27 1 48 25 40 1 49 25 41 1 50 26 42 1 51 26 43 1 52 26 44 1 53 27 29 1 54 27 47 1 55 27 48 1 56 28 30 1 57 30 49 1 58 30 50 1