HEADER Model coordinates for PDB-CCD HEM COMPND HEM AUTHOR pdbccdutils 0.8.6 AUTHOR RDKit 2023.09.6 HETATM 1 CHA HEM A 1 2.748 -19.531 39.896 1.00 20.00 C HETATM 2 CHB HEM A 1 3.258 -17.744 35.477 1.00 20.00 C HETATM 3 CHC HEM A 1 1.703 -21.900 33.637 1.00 20.00 C HETATM 4 CHD HEM A 1 1.149 -23.677 38.059 1.00 20.00 C HETATM 5 C1A HEM A 1 3.031 -18.673 38.872 1.00 20.00 C HETATM 6 C2A HEM A 1 3.578 -17.325 39.013 1.00 20.00 C HETATM 7 C3A HEM A 1 3.705 -16.820 37.785 1.00 20.00 C HETATM 8 C4A HEM A 1 3.256 -17.863 36.862 1.00 20.00 C HETATM 9 CMA HEM A 1 4.227 -15.469 37.393 1.00 20.00 C HETATM 10 CAA HEM A 1 3.945 -16.670 40.296 1.00 20.00 C HETATM 11 CBA HEM A 1 5.391 -17.138 40.581 1.00 20.00 C HETATM 12 CGA HEM A 1 6.095 -16.663 41.825 1.00 20.00 C HETATM 13 O1A HEM A 1 7.098 -15.928 41.683 1.00 20.00 O HETATM 14 O2A HEM A 1 5.657 -17.040 42.940 1.00 20.00 O HETATM 15 C1B HEM A 1 2.888 -18.698 34.579 1.00 20.00 C HETATM 16 C2B HEM A 1 2.933 -18.535 33.146 1.00 20.00 C HETATM 17 C3B HEM A 1 2.499 -19.716 32.632 1.00 20.00 C HETATM 18 C4B HEM A 1 2.187 -20.580 33.743 1.00 20.00 C HETATM 19 CMB HEM A 1 3.391 -17.290 32.422 1.00 20.00 C HETATM 20 CAB HEM A 1 2.345 -20.140 31.217 1.00 20.00 C HETATM 21 CBB HEM A 1 1.755 -19.492 30.233 1.00 20.00 C HETATM 22 C1C HEM A 1 1.395 -22.786 34.659 1.00 20.00 C HETATM 23 C2C HEM A 1 0.854 -24.130 34.500 1.00 20.00 C HETATM 24 C3C HEM A 1 0.689 -24.626 35.757 1.00 20.00 C HETATM 25 C4C HEM A 1 1.139 -23.583 36.674 1.00 20.00 C HETATM 26 CMC HEM A 1 0.550 -24.782 33.175 1.00 20.00 C HETATM 27 CAC HEM A 1 0.164 -25.943 36.196 1.00 20.00 C HETATM 28 CBC HEM A 1 0.498 -27.158 35.750 1.00 20.00 C HETATM 29 C1D HEM A 1 1.550 -22.718 38.980 1.00 20.00 C HETATM 30 C2D HEM A 1 1.513 -22.879 40.415 1.00 20.00 C HETATM 31 C3D HEM A 1 1.951 -21.691 40.929 1.00 20.00 C HETATM 32 C4D HEM A 1 2.277 -20.826 39.811 1.00 20.00 C HETATM 33 CMD HEM A 1 1.055 -24.094 41.156 1.00 20.00 C HETATM 34 CAD HEM A 1 2.048 -21.326 42.352 1.00 20.00 C HETATM 35 CBD HEM A 1 0.741 -20.498 42.530 1.00 20.00 C HETATM 36 CGD HEM A 1 0.578 -19.987 43.892 1.00 20.00 C HETATM 37 O1D HEM A 1 1.387 -19.103 44.303 1.00 20.00 O HETATM 38 O2D HEM A 1 -0.401 -20.468 44.537 1.00 20.00 O HETATM 39 NA HEM A 1 2.863 -18.969 37.554 1.00 20.00 N HETATM 40 NB HEM A 1 2.439 -19.944 34.911 1.00 20.00 N HETATM 41 NC HEM A 1 1.537 -22.509 35.976 1.00 20.00 N HETATM 42 ND HEM A 1 2.008 -21.465 38.663 1.00 20.00 N HETATM 43 FE HEM A 1 2.196 -20.749 36.814 1.00 20.00 FE HETATM 44 HHB HEM A 1 3.587 -16.798 35.072 1.00 20.00 H HETATM 45 HHC HEM A 1 1.553 -22.268 32.633 1.00 20.00 H HETATM 46 HHD HEM A 1 0.802 -24.613 38.472 1.00 20.00 H HETATM 47 HMA HEM A 1 5.316 -15.524 37.249 1.00 20.00 H HETATM 48 HMAA HEM A 1 3.749 -15.149 36.455 1.00 20.00 H HETATM 49 HMAB HEM A 1 3.998 -14.743 38.187 1.00 20.00 H HETATM 50 HAA HEM A 1 3.905 -15.575 40.197 1.00 20.00 H HETATM 51 HAAA HEM A 1 3.268 -16.991 41.102 1.00 20.00 H HETATM 52 HBA HEM A 1 5.368 -18.237 40.627 1.00 20.00 H HETATM 53 HBAA HEM A 1 6.004 -16.819 39.725 1.00 20.00 H HETATM 54 HMB HEM A 1 3.319 -17.449 31.336 1.00 20.00 H HETATM 55 HMBA HEM A 1 2.753 -16.442 32.711 1.00 20.00 H HETATM 56 HMBB HEM A 1 4.435 -17.072 32.692 1.00 20.00 H HETATM 57 HAB HEM A 1 2.770 -21.100 30.963 1.00 20.00 H HETATM 58 HBB HEM A 1 1.719 -19.927 29.245 1.00 20.00 H HETATM 59 HBBA HEM A 1 1.308 -18.526 30.414 1.00 20.00 H HETATM 60 HMC HEM A 1 0.153 -25.793 33.346 1.00 20.00 H HETATM 61 HMCA HEM A 1 -0.196 -24.182 32.634 1.00 20.00 H HETATM 62 HMCB HEM A 1 1.472 -24.846 32.578 1.00 20.00 H HETATM 63 HAC HEM A 1 -0.583 -25.916 36.975 1.00 20.00 H HETATM 64 HBC HEM A 1 0.027 -28.035 36.169 1.00 20.00 H HETATM 65 HBCA HEM A 1 1.239 -27.263 34.971 1.00 20.00 H HETATM 66 HMD HEM A 1 1.142 -23.919 42.238 1.00 20.00 H HETATM 67 HMDA HEM A 1 0.006 -24.304 40.902 1.00 20.00 H HETATM 68 HMDB HEM A 1 1.680 -24.954 40.872 1.00 20.00 H HETATM 69 HAD HEM A 1 2.055 -22.216 42.999 1.00 20.00 H HETATM 70 HADA HEM A 1 2.943 -20.719 42.554 1.00 20.00 H HETATM 71 HBD HEM A 1 0.767 -19.646 41.835 1.00 20.00 H HETATM 72 HBDA HEM A 1 -0.119 -21.141 42.290 1.00 20.00 H HETATM 73 H2A HEM A 1 6.201 -16.682 43.632 1.00 20.00 H HETATM 74 H2D HEM A 1 -0.445 -20.063 45.395 1.00 20.00 H HETATM 75 HHA HEM A 1 2.913 -19.150 40.893 1.00 20.00 H CONECT 1 5 32 32 75 CONECT 2 8 15 15 44 CONECT 3 18 22 22 45 CONECT 4 25 25 29 46 CONECT 5 6 6 39 CONECT 6 7 10 CONECT 7 8 8 9 CONECT 8 39 CONECT 9 47 48 49 CONECT 10 11 50 51 CONECT 11 12 52 53 CONECT 12 13 13 14 CONECT 14 73 CONECT 15 16 40 CONECT 16 17 17 19 CONECT 17 18 20 CONECT 18 40 40 CONECT 19 54 55 56 CONECT 20 21 21 57 CONECT 21 58 59 CONECT 22 23 41 CONECT 23 24 24 26 CONECT 24 25 27 CONECT 25 41 CONECT 26 60 61 62 CONECT 27 28 28 63 CONECT 28 64 65 CONECT 29 30 42 42 CONECT 30 31 31 33 CONECT 31 32 34 CONECT 32 42 CONECT 33 66 67 68 CONECT 34 35 69 70 CONECT 35 36 71 72 CONECT 36 37 37 38 CONECT 38 74 CONECT 39 43 CONECT 40 43 CONECT 41 43 CONECT 42 43 END