@MOLECULE n,n-dimethyl-3-({n-[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-4-{[(1-methyl-1h-imidazol-2-yl)carbonyl]amino}-1h-pyrrol-2-yl)carbonyl]amino}-1h-pyrrol-2-yl)carbonyl]amino}-1h-pyrrol-2-yl)carbonyl]-beta-alanyl}amino)-1-propanaminium 47 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -12.7822 1.6653 0.6226 O.3 1 UNL1 -0.2175 2 O -7.1800 -1.1773 -0.3026 O.2 1 UNL1 -0.5028 3 O -1.1507 2.7077 -0.8337 O.2 1 UNL1 -0.4492 4 O 4.5412 1.0347 2.0763 O.2 1 UNL1 -0.4408 5 O 9.9474 -3.1860 -0.1736 O.2 1 UNL1 -0.3469 6 N -7.5420 -3.7690 -0.2341 N.pl3 2 UNL2 -0.4328 7 N -12.1914 -1.8882 0.7806 N.1 2 UNL2 -0.2354 8 N -5.3881 2.0094 -0.6739 N.ar 1 UNL1 -0.5487 9 N -7.9717 0.9597 -0.1864 N.am 1 UNL1 -0.6568 10 N 1.0283 2.4725 -0.7097 N.3 1 UNL1 -0.5980 11 N -1.9788 0.5538 -0.2625 N.2 1 UNL1 -0.2240 12 N 6.5987 0.2831 2.3032 N.pl3 1 UNL1 -0.6169 13 N 3.9873 0.4821 -0.1552 N.2 1 UNL1 -0.2518 14 N 9.5000 -1.3367 1.0952 N.am 1 UNL1 -0.3337 15 N 10.9568 -1.4670 -2.2095 N.1 1 UNL1 -0.5730 16 N 11.6975 -0.2143 -0.3793 N.2 1 UNL1 -0.0178 17 C -8.8025 -3.2898 0.0391 C.1 2 UNL2 0.1686 18 C -9.9123 -2.8583 0.2862 C.1 2 UNL2 -0.1848 19 C -11.1487 -2.3449 0.5558 C.1 2 UNL2 0.1915 20 C -7.3663 -4.5060 -1.3612 C.3 2 UNL2 0.2204 21 C -6.5239 -3.3778 0.5990 C.3 2 UNL2 0.2684 22 C -11.6692 1.4128 0.4487 C.1 1 UNL1 0.6681 23 C -10.4188 1.1741 0.2496 C.1 1 UNL1 -0.6998 24 C -9.1851 0.9451 0.0420 C.3 1 UNL1 0.6476 25 C -5.6212 0.5953 -0.4105 C.ar 1 UNL1 -0.2872 26 C -3.2867 0.9527 -0.4054 C.ar 1 UNL1 -0.3634 27 C 0.4338 1.1526 -0.3590 C.3 1 UNL1 -0.0109 28 C -4.3671 0.0688 -0.2752 C.ar 1 UNL1 0.3560 29 C 2.7307 0.9765 -0.2117 C.2 1 UNL1 -0.1203 30 C -6.9312 0.0055 -0.2994 C.2 1 UNL1 0.7100 31 C -3.8217 2.2436 -0.6769 C.ar 1 UNL1 0.3703 32 C 1.5094 0.3518 -0.0885 C.2 1 UNL1 0.0526 33 C 2.4037 2.4634 -0.6655 C.3 1 UNL1 0.4226 34 C 6.1775 -0.0283 0.8951 C.2 1 UNL1 -0.0503 35 C -0.9778 1.3275 -0.4501 C.2 1 UNL1 0.2906 36 C 8.3568 -0.8224 1.2062 C.2 1 UNL1 -0.0080 37 C 4.8278 0.4765 0.7813 C.2 1 UNL1 0.3819 38 C -6.1905 2.9632 -0.9026 C.3 1 UNL1 0.7166 39 C 7.2074 -0.6481 0.3369 C.2 1 UNL1 0.0560 40 C 7.8654 -0.1334 2.6121 C.3 1 UNL1 0.4930 41 C -0.0298 3.3833 -0.9957 C.3 1 UNL1 0.5417 42 C 5.5142 0.9434 2.9594 C.3 1 UNL1 0.5622 43 C 10.0733 -2.0051 -0.0009 C.2 1 UNL1 0.5385 44 C 10.9722 -1.1495 -0.8702 C.2 1 UNL1 0.1720 45 C 13.4013 1.6611 -0.3674 C.1 1 UNL1 0.3639 46 C 10.9265 -1.7926 -3.3530 C.1 1 UNL1 0.4102 47 C 12.5350 0.7006 -0.4318 C.1 1 UNL1 -0.4320 @BOND 1 46 15 3 2 15 44 1 3 20 6 1 4 41 3 1 5 41 10 1 6 38 8 1 7 44 16 2 8 44 43 1 9 3 35 1 10 10 33 1 11 10 27 1 12 31 8 ar 13 31 26 ar 14 8 25 ar 15 33 29 1 16 35 27 1 17 35 11 2 18 47 16 1 19 47 45 3 20 25 30 1 21 25 28 ar 22 26 28 ar 23 26 11 1 24 27 32 1 25 2 30 2 26 30 9 am 27 6 17 1 28 6 21 1 29 29 13 1 30 29 32 2 31 9 24 1 32 5 43 2 33 13 37 2 34 43 14 1 35 17 18 3 36 24 23 1 37 23 22 3 38 18 19 1 39 39 34 2 40 39 36 1 41 22 1 1 42 19 7 3 43 37 34 1 44 37 4 1 45 34 12 1 46 14 36 2 47 36 40 1 48 4 42 1 49 12 40 1 50 12 42 1