@MOLECULE 1-[(e)-(2-{[(2r,5s)-5-{3-[(diaminomethylene)amino]propyl}-1-methyl-3,7-dioxo-1,4-diazepan-2-yl]methyl}hydrazino)methylene]urea 50 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7600 -3.5794 0.7404 O.2 1 UNL1111111111 -0.5210 2 O 0.2718 0.2205 -2.4786 O.2 1 UNL1111111111 -0.5423 3 O -7.4585 1.6710 0.0999 O.2 1 UNL1111111111 -0.5865 4 N -1.1514 -1.4449 0.0926 N.am 1 UNL1111111111 -0.4699 5 N 1.5107 -1.2004 -1.2874 N.am 1 UNL1111111111 -0.5942 6 N -2.5512 1.1464 0.3855 N.3 1 UNL1111111111 -0.3396 7 N 5.4334 0.9317 0.1674 N.pl3 1 UNL1111111111 -0.5809 8 N -3.3430 2.3050 0.1595 N.pl3 1 UNL1111111111 -0.3853 9 N 7.6183 1.6337 0.9858 N.pl3 1 UNL1111111111 -0.6717 10 N 6.0069 3.1911 0.2132 N.pl3 1 UNL1111111111 -0.6223 11 N -5.2548 0.9117 0.3302 N.am 1 UNL1111111111 -0.5634 12 N -7.0675 -0.4616 0.8055 N.am 1 UNL1111111111 -0.6471 13 C 2.0368 -1.8518 -0.0779 C.3 1 UNL1111111111 0.1180 14 C 1.0348 -2.0337 1.0758 C.3 1 UNL1111111111 -0.4114 15 C -0.5488 -0.1590 -0.2500 C.3 1 UNL1111111111 0.0034 16 C 3.2552 -1.0596 0.4521 C.3 1 UNL1111111111 -0.3093 17 C -0.3444 -2.4478 0.6054 C.2 1 UNL1111111111 0.5819 18 C 0.4457 -0.3452 -1.4147 C.2 1 UNL1111111111 0.5371 19 C 4.4754 -1.1964 -0.4628 C.3 1 UNL1111111111 -0.2556 20 C -1.5624 0.9193 -0.6976 C.3 1 UNL1111111111 -0.1659 21 C -2.4332 -1.8085 -0.5202 C.3 1 UNL1111111111 -0.2377 22 C 5.6990 -0.4966 0.1715 C.3 1 UNL1111111111 -0.0779 23 C 6.3282 1.8261 0.4436 C.cat 1 UNL1111111111 0.5120 24 C -4.7281 2.0695 0.0706 C.2 1 UNL1111111111 0.3144 25 C -6.6716 0.7873 0.3917 C.2 1 UNL1111111111 0.7073 26 H 2.3690 -2.8811 -0.4046 H 1 UNL1111111111 0.1515 27 H 1.4217 -2.8328 1.7509 H 1 UNL1111111111 0.1892 28 H 0.9763 -1.1327 1.7176 H 1 UNL1111111111 0.1709 29 H 0.0065 0.2323 0.6494 H 1 UNL1111111111 0.1576 30 H 3.5131 -1.4026 1.4716 H 1 UNL1111111111 0.1478 31 H 3.0008 0.0163 0.5563 H 1 UNL1111111111 0.1712 32 H 2.1269 -1.2688 -2.0991 H 1 UNL1111111111 0.3251 33 H 4.2709 -0.7333 -1.4489 H 1 UNL1111111111 0.1545 34 H 4.7156 -2.2587 -0.6479 H 1 UNL1111111111 0.1334 35 H -1.0009 1.8319 -1.0019 H 1 UNL1111111111 0.1444 36 H -2.1153 0.5807 -1.6088 H 1 UNL1111111111 0.1853 37 H -2.3949 -1.7551 -1.6195 H 1 UNL1111111111 0.1381 38 H -2.7137 -2.8401 -0.2347 H 1 UNL1111111111 0.1719 39 H -3.2322 -1.1303 -0.1469 H 1 UNL1111111111 0.1913 40 H 6.6126 -0.7572 -0.4078 H 1 UNL1111111111 0.1180 41 H 5.8545 -0.8701 1.2095 H 1 UNL1111111111 0.1313 42 H -2.0993 1.2788 1.3013 H 1 UNL1111111111 0.2711 43 H -2.9723 2.9439 -0.5509 H 1 UNL1111111111 0.2844 44 H -5.2935 3.0055 -0.1407 H 1 UNL1111111111 0.1662 45 H 8.2867 2.3764 0.8710 H 1 UNL1111111111 0.2968 46 H 8.0234 0.7246 0.8629 H 1 UNL1111111111 0.2890 47 H 6.1806 3.8112 0.9890 H 1 UNL1111111111 0.2832 48 H 5.0774 3.3241 -0.1724 H 1 UNL1111111111 0.2987 49 H -8.0350 -0.6869 0.8766 H 1 UNL1111111111 0.3141 50 H -6.3891 -1.1642 1.0269 H 1 UNL1111111111 0.3225 @BOND 1 1 17 2 2 2 18 2 3 3 25 2 4 4 15 1 5 4 17 am 6 4 21 1 7 5 13 1 8 5 18 am 9 5 32 1 10 6 8 1 11 6 20 1 12 6 42 1 13 7 22 1 14 7 23 2 15 8 24 1 16 8 43 1 17 9 23 1 18 9 45 1 19 9 46 1 20 10 23 1 21 10 47 1 22 10 48 1 23 11 24 2 24 11 25 1 25 12 25 am 26 12 49 1 27 12 50 1 28 13 14 1 29 13 16 1 30 13 26 1 31 14 17 1 32 14 27 1 33 14 28 1 34 15 18 1 35 15 20 1 36 15 29 1 37 16 19 1 38 16 30 1 39 16 31 1 40 19 22 1 41 19 33 1 42 19 34 1 43 20 35 1 44 20 36 1 45 21 37 1 46 21 38 1 47 21 39 1 48 22 40 1 49 22 41 1 50 24 44 1