data_F43
# 
_chem_comp.id                                    F43 
_chem_comp.name                                  "FACTOR 430" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C42 H49 N6 Ni O13" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   Y 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        904.564 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     F43 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1E6Y 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
F43 NI   NI    NI 0 0 N N N 79.006 64.675 70.865 0.734  0.052  -0.893 NI   F43 1   
F43 NA   "N A" N  0 1 N N N 76.902 64.344 71.158 1.864  1.163  0.488  NA   F43 2   
F43 CHA  CHA   C  0 1 N N N 76.596 66.570 72.298 3.904  -0.179 -0.068 CHA  F43 3   
F43 C1A  C1A   C  0 1 N N N 76.315 65.149 71.896 3.066  0.792  0.714  C1A  F43 4   
F43 C2A  C2A   C  0 1 N N S 74.970 64.523 72.560 3.331  1.556  2.008  C2A  F43 5   
F43 C3A  C3A   C  0 1 N N S 75.375 63.005 72.375 2.009  2.341  2.378  C3A  F43 6   
F43 C4A  C4A   C  0 1 N N S 76.175 63.099 71.100 1.270  2.325  1.089  C4A  F43 7   
F43 C5A  C5A   C  0 1 N N N 73.727 64.847 71.675 4.494  2.532  1.826  C5A  F43 8   
F43 C6A  C6A   C  0 1 N N N 72.450 64.223 72.274 4.665  3.349  3.081  C6A  F43 9   
F43 O7A  O7A   O  0 1 N N N 71.869 64.779 73.256 3.946  3.150  4.037  O7A  F43 10  
F43 N8A  N8A   N  0 1 N N N 71.954 63.123 71.784 5.617  4.302  3.140  N8A  F43 11  
F43 C9A  C9A   C  0 1 N N N 74.817 64.968 73.983 3.662  0.569  3.134  C9A  F43 12  
F43 CAA  CAA   C  0 1 N N N 76.250 62.377 73.598 1.229  1.604  3.469  CAA  F43 13  
F43 CBA  CBA   C  0 1 N N N 75.399 62.066 74.798 0.007  2.434  3.870  CBA  F43 14  
F43 CCA  CCA   C  0 1 N N N 75.621 60.699 75.359 -0.698 1.764  5.021  CCA  F43 15  
F43 ODA  ODA   O  0 1 N N N 76.773 60.389 75.790 -1.805 2.317  5.543  ODA  F43 16  
F43 OEA  OEA   O  0 1 N N N 74.664 59.888 75.393 -0.268 0.730  5.475  OEA  F43 17  
F43 NB   "N B" N  0 1 N N N 79.007 62.926 69.731 -0.097 1.482  -2.116 NB   F43 18  
F43 CHB  CHB   C  0 1 N N N 77.078 61.880 70.813 0.578  3.026  0.030  CHB  F43 19  
F43 C1B  C1B   C  0 1 N N R 77.807 61.970 69.611 -0.036 2.766  -1.296 C1B  F43 20  
F43 C2B  C2B   C  0 1 N N S 78.419 60.541 69.022 -1.481 3.372  -1.311 C2B  F43 21  
F43 C3B  C3B   C  0 1 N N S 80.009 60.800 69.181 -2.206 2.490  -2.374 C3B  F43 22  
F43 C4B  C4B   C  0 1 N N S 79.992 62.298 69.475 -1.577 1.108  -2.056 C4B  F43 23  
F43 N5B  N5B   N  0 1 N N N 77.013 62.341 68.348 0.733  3.610  -2.267 N5B  F43 24  
F43 C6B  C6B   C  0 1 N N N 77.103 61.579 67.298 0.070  4.692  -2.655 C6B  F43 25  
F43 O7B  O7B   O  0 1 N N N 76.458 61.770 66.265 0.488  5.512  -3.447 O7B  F43 26  
F43 C8B  C8B   C  0 1 N N N 78.083 60.452 67.557 -1.266 4.764  -1.977 C8B  F43 27  
F43 C9B  C9B   C  0 1 N N N 77.855 59.335 69.737 -2.220 3.476  0.026  C9B  F43 28  
F43 CAB  CAB   C  0 1 N N N 80.517 59.913 70.448 -3.724 2.525  -2.238 CAB  F43 29  
F43 CBB  CBB   C  0 1 N N N 81.992 60.090 70.701 -4.358 1.739  -3.388 CBB  F43 30  
F43 CCB  CCB   C  0 1 N N N 82.405 59.152 71.798 -5.858 1.775  -3.253 CCB  F43 31  
F43 ODB  ODB   O  0 1 N N N 82.282 57.944 71.519 -6.628 1.147  -4.156 ODB  F43 32  
F43 OEB  OEB   O  0 1 N N N 82.822 59.549 72.903 -6.368 2.367  -2.332 OEB  F43 33  
F43 NC   "N C" N  0 1 N N N 81.057 64.857 70.812 -0.892 -1.177 -0.371 NC   F43 34  
F43 CHC  CHC   C  0 1 N N N 81.423 62.892 69.446 -2.196 0.519  -0.837 CHC  F43 35  
F43 C1C  C1C   C  0 1 N N N 81.828 64.013 70.055 -2.139 -0.606 -0.172 C1C  F43 36  
F43 C2C  C2C   C  0 1 N N S 83.253 64.465 69.935 -2.673 -1.616 0.771  C2C  F43 37  
F43 C3C  C3C   C  0 1 N N S 83.270 65.667 70.937 -1.996 -2.962 0.331  C3C  F43 38  
F43 C4C  C4C   C  0 1 N N N 81.855 65.862 71.299 -0.727 -2.544 -0.364 C4C  F43 39  
F43 C5C  C5C   C  0 1 N N N 83.558 65.031 68.515 -4.192 -1.724 0.637  C5C  F43 40  
F43 C6C  C6C   C  0 1 N N N 84.989 65.482 68.390 -4.830 -0.438 1.096  C6C  F43 41  
F43 O7C  O7C   O  0 1 N N N 85.892 64.645 68.658 -6.165 -0.304 1.067  O7C  F43 42  
F43 O8C  O8C   O  0 1 N N N 85.246 66.661 68.017 -4.139 0.471  1.489  O8C  F43 43  
F43 C8C  C8C   C  0 1 N N N 84.002 65.249 72.245 -1.678 -3.802 1.571  C8C  F43 44  
F43 C9C  C9C   C  0 1 N N N 85.524 65.028 72.112 -2.983 -4.223 2.250  C9C  F43 45  
F43 CAC  CAC   C  0 1 N N N 86.214 64.608 73.420 -2.677 -5.162 3.388  CAC  F43 46  
F43 OBC  OBC   O  0 1 N N N 85.565 64.462 74.483 -1.532 -5.464 3.631  OBC  F43 47  
F43 OCC  OCC   O  0 1 N N N 87.458 64.416 73.367 -3.675 -5.664 4.132  OCC  F43 48  
F43 ND   "N D" N  0 1 Y N N 79.099 66.102 72.266 2.103  -1.482 -1.127 ND   F43 49  
F43 CHD  CHD   C  0 1 N N N 81.469 66.846 72.096 0.307  -3.221 -1.006 CHD  F43 50  
F43 C1D  C1D   C  0 1 Y N N 80.000 66.954 72.629 1.685  -2.710 -1.331 C1D  F43 51  
F43 C2D  C2D   C  0 1 Y N N 79.696 67.974 73.670 2.799  -3.343 -1.753 C2D  F43 52  
F43 C3D  C3D   C  0 1 Y N N 78.151 67.872 73.746 3.869  -2.447 -1.523 C3D  F43 53  
F43 C4D  C4D   C  0 1 Y N N 77.894 66.553 73.152 3.434  -1.345 -0.891 C4D  F43 54  
F43 C5D  C5D   C  0 1 N N N 80.335 69.283 73.423 2.679  -4.754 -2.241 C5D  F43 55  
F43 C6D  C6D   C  0 1 N N N 81.824 69.181 73.377 1.209  -5.133 -2.411 C6D  F43 56  
F43 C7D  C7D   C  0 1 N N N 82.304 68.086 72.466 0.241  -4.592 -1.392 C7D  F43 57  
F43 O8D  O8D   O  0 1 N N N 83.448 68.287 72.010 -0.608 -5.328 -0.931 O8D  F43 58  
F43 C9D  C9D   C  0 1 N N N 77.557 68.066 75.096 5.301  -2.713 -1.924 C9D  F43 59  
F43 CAD  CAD   C  0 1 N N N 77.566 69.445 75.610 5.537  -2.193 -3.318 CAD  F43 60  
F43 OBD  OBD   O  0 1 N N N 77.523 69.654 76.863 4.638  -1.661 -3.925 OBD  F43 61  
F43 OCD  OCD   O  0 1 N N N 77.623 70.419 74.784 6.747  -2.319 -3.886 OCD  F43 62  
F43 HHA1 1HHA  H  0 0 N N N 76.652 67.267 71.430 4.625  -0.589 0.633  HHA1 F43 63  
F43 HHA2 2HHA  H  0 0 N N N 75.737 67.056 72.816 4.495  0.431  -0.749 HHA2 F43 64  
F43 H3A  H3A   H  0 1 N N N 74.497 62.316 72.351 2.240  3.361  2.686  H3A  F43 65  
F43 H4A  H4A   H  0 1 N N N 75.479 63.085 70.228 2.138  2.927  0.721  H4A  F43 66  
F43 H5A1 1H5A  H  0 0 N N N 73.612 65.943 71.510 5.409  1.974  1.629  H5A1 F43 67  
F43 H5A2 2H5A  H  0 0 N N N 73.881 64.533 70.616 4.284  3.195  0.986  H5A2 F43 68  
F43 HN81 1HN8  H  0 0 N N N 72.420 62.676 70.994 6.192  4.461  2.375  HN81 F43 69  
F43 HN82 2HN8  H  0 0 N N N 71.109 62.710 72.180 5.727  4.828  3.947  HN82 F43 70  
F43 H9A1 1H9A  H  0 0 N N N 73.894 64.538 74.438 3.736  1.108  4.079  H9A1 F43 71  
F43 H9A2 2H9A  H  0 0 N N N 75.723 64.730 74.587 2.873  -0.180 3.203  H9A2 F43 72  
F43 H9A3 3H9A  H  0 0 N N N 74.840 66.079 74.071 4.611  0.078  2.919  H9A3 F43 73  
F43 HAA1 1HAA  H  0 0 N N N 76.824 61.480 73.266 0.902  0.636  3.091  HAA1 F43 74  
F43 HAA2 2HAA  H  0 0 N N N 77.103 63.042 73.868 1.870  1.458  4.338  HAA2 F43 75  
F43 HBA1 1HBA  H  0 0 N N N 75.536 62.841 75.587 0.328  3.431  4.170  HBA1 F43 76  
F43 HBA2 2HBA  H  0 0 N N N 74.320 62.224 74.565 -0.674 2.511  3.022  HBA2 F43 77  
F43 HOA  HOA   H  0 1 N N N 76.914 59.519 76.146 -2.257 1.888  6.282  HOA  F43 78  
F43 HHB1 1HHB  H  0 0 N N N 77.764 61.692 71.671 0.100  3.854  0.497  HHB1 F43 79  
F43 HHB2 2HHB  H  0 0 N N N 76.481 60.938 70.837 1.446  3.646  -0.314 HHB2 F43 80  
F43 H3B  H3B   H  0 1 N N N 80.674 60.530 68.328 -1.916 2.816  -3.388 H3B  F43 81  
F43 H4B  H4B   H  0 1 N N N 79.060 62.909 69.451 -1.779 0.429  -2.906 H4B  F43 82  
F43 HN5  HN5   H  0 1 N N N 76.392 63.136 68.198 1.624  3.380  -2.574 HN5  F43 83  
F43 H8B1 1H8B  H  0 0 N N N 78.976 60.472 66.890 -1.262 5.542  -1.211 H8B1 F43 84  
F43 H8B2 2H8B  H  0 0 N N N 77.707 59.450 67.243 -2.054 4.960  -2.703 H8B2 F43 85  
F43 H9B1 1H9B  H  0 0 N N N 78.265 58.376 69.341 -3.251 3.782  -0.151 H9B1 F43 86  
F43 H9B2 2H9B  H  0 0 N N N 78.006 59.413 70.838 -2.209 2.506  0.523  H9B2 F43 87  
F43 H9B3 3H9B  H  0 0 N N N 76.740 59.336 69.709 -1.725 4.214  0.658  H9B3 F43 88  
F43 HAB1 1HAB  H  0 0 N N N 79.919 60.133 71.363 -4.014 2.077  -1.288 HAB1 F43 89  
F43 HAB2 2HAB  H  0 0 N N N 80.253 58.837 70.321 -4.068 3.559  -2.272 HAB2 F43 90  
F43 HBB1 1HBB  H  0 0 N N N 82.602 59.962 69.776 -4.068 2.188  -4.338 HBB1 F43 91  
F43 HBB2 2HBB  H  0 0 N N N 82.264 61.149 70.919 -4.014 0.706  -3.354 HBB2 F43 92  
F43 HOB  HOB   H  0 1 N N N 82.543 57.350 72.213 -7.591 1.170  -4.070 HOB  F43 93  
F43 HHC  HHC   H  0 1 N N N 82.281 62.451 68.912 -2.927 1.148  -0.351 HHC  F43 94  
F43 H2C  H2C   H  0 1 N N N 83.986 63.646 70.123 -2.395 -1.372 1.794  H2C  F43 95  
F43 H3C  H3C   H  0 1 N N N 83.765 66.562 70.495 -2.648 -3.509 -0.345 H3C  F43 96  
F43 H5C1 1H5C  H  0 0 N N N 83.292 64.296 67.719 -4.453 -1.908 -0.406 H5C1 F43 97  
F43 H5C2 2H5C  H  0 0 N N N 82.849 65.847 68.242 -4.553 -2.549 1.252  H5C2 F43 98  
F43 HO7  HO7   H  0 1 N N N 86.794 64.929 68.579 -6.574 0.522  1.361  HO7  F43 99  
F43 H8C1 1H8C  H  0 0 N N N 83.792 65.988 73.052 -1.120 -4.690 1.275  H8C1 F43 100 
F43 H8C2 2H8C  H  0 0 N N N 83.520 64.341 72.678 -1.080 -3.212 2.266  H8C2 F43 101 
F43 H9C1 1H9C  H  0 0 N N N 85.743 64.294 71.301 -3.493 -3.340 2.635  H9C1 F43 102 
F43 H9C2 2H9C  H  0 0 N N N 86.014 65.933 71.684 -3.624 -4.726 1.526  H9C2 F43 103 
F43 HOC  HOC   H  0 1 N N N 87.884 64.156 74.175 -3.479 -6.266 4.862  HOC  F43 104 
F43 H5D1 1H5D  H  0 0 N N N 79.933 69.760 72.498 3.146  -5.429 -1.521 H5D1 F43 105 
F43 H5D2 2H5D  H  0 0 N N N 80.004 70.041 74.170 3.191  -4.851 -3.201 H5D2 F43 106 
F43 H6D1 1H6D  H  0 0 N N N 82.283 70.159 73.102 1.137  -6.223 -2.396 H6D1 F43 107 
F43 H6D2 2H6D  H  0 0 N N N 82.248 69.063 74.401 0.883  -4.795 -3.397 H6D2 F43 108 
F43 H9D1 1H9D  H  0 0 N N N 76.518 67.661 75.114 5.972  -2.208 -1.229 H9D1 F43 109 
F43 H9D2 2H9D  H  0 0 N N N 78.050 67.385 75.828 5.492  -3.786 -1.899 H9D2 F43 110 
F43 HOD  HOD   H  0 1 N N N 77.628 71.309 75.115 6.899  -1.986 -4.780 HOD  F43 111 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
F43 NI  NA   SING N N 1   
F43 NI  NB   SING N N 2   
F43 NI  NC   SING N N 3   
F43 NI  ND   SING N N 4   
F43 NA  C1A  DOUB N N 5   
F43 NA  C4A  SING N N 6   
F43 CHA C1A  SING N N 7   
F43 CHA C4D  SING N N 8   
F43 CHA HHA1 SING N N 9   
F43 CHA HHA2 SING N N 10  
F43 C1A C2A  SING N N 11  
F43 C2A C3A  SING N N 12  
F43 C2A C5A  SING N N 13  
F43 C2A C9A  SING N N 14  
F43 C3A C4A  SING N N 15  
F43 C3A CAA  SING N N 16  
F43 C3A H3A  SING N N 17  
F43 C4A CHB  SING N N 18  
F43 C4A H4A  SING N N 19  
F43 C5A C6A  SING N N 20  
F43 C5A H5A1 SING N N 21  
F43 C5A H5A2 SING N N 22  
F43 C6A O7A  DOUB N N 23  
F43 C6A N8A  SING N N 24  
F43 N8A HN81 SING N N 25  
F43 N8A HN82 SING N N 26  
F43 C9A H9A1 SING N N 27  
F43 C9A H9A2 SING N N 28  
F43 C9A H9A3 SING N N 29  
F43 CAA CBA  SING N N 30  
F43 CAA HAA1 SING N N 31  
F43 CAA HAA2 SING N N 32  
F43 CBA CCA  SING N N 33  
F43 CBA HBA1 SING N N 34  
F43 CBA HBA2 SING N N 35  
F43 CCA ODA  SING N N 36  
F43 CCA OEA  DOUB N N 37  
F43 ODA HOA  SING N N 38  
F43 NB  C1B  SING N N 39  
F43 NB  C4B  SING N N 40  
F43 CHB C1B  SING N N 41  
F43 CHB HHB1 SING N N 42  
F43 CHB HHB2 SING N N 43  
F43 C1B C2B  SING N N 44  
F43 C1B N5B  SING N N 45  
F43 C2B C3B  SING N N 46  
F43 C2B C8B  SING N N 47  
F43 C2B C9B  SING N N 48  
F43 C3B C4B  SING N N 49  
F43 C3B CAB  SING N N 50  
F43 C3B H3B  SING N N 51  
F43 C4B CHC  SING N N 52  
F43 C4B H4B  SING N N 53  
F43 N5B C6B  SING N N 54  
F43 N5B HN5  SING N N 55  
F43 C6B O7B  DOUB N N 56  
F43 C6B C8B  SING N N 57  
F43 C8B H8B1 SING N N 58  
F43 C8B H8B2 SING N N 59  
F43 C9B H9B1 SING N N 60  
F43 C9B H9B2 SING N N 61  
F43 C9B H9B3 SING N N 62  
F43 CAB CBB  SING N N 63  
F43 CAB HAB1 SING N N 64  
F43 CAB HAB2 SING N N 65  
F43 CBB CCB  SING N N 66  
F43 CBB HBB1 SING N N 67  
F43 CBB HBB2 SING N N 68  
F43 CCB ODB  SING N N 69  
F43 CCB OEB  DOUB N N 70  
F43 ODB HOB  SING N N 71  
F43 NC  C1C  SING N N 72  
F43 NC  C4C  SING N N 73  
F43 CHC C1C  DOUB N N 74  
F43 CHC HHC  SING N N 75  
F43 C1C C2C  SING N N 76  
F43 C2C C3C  SING N N 77  
F43 C2C C5C  SING N N 78  
F43 C2C H2C  SING N N 79  
F43 C3C C4C  SING N N 80  
F43 C3C C8C  SING N N 81  
F43 C3C H3C  SING N N 82  
F43 C4C CHD  DOUB N N 83  
F43 C5C C6C  SING N N 84  
F43 C5C H5C1 SING N N 85  
F43 C5C H5C2 SING N N 86  
F43 C6C O7C  SING N N 87  
F43 C6C O8C  DOUB N N 88  
F43 O7C HO7  SING N N 89  
F43 C8C C9C  SING N N 90  
F43 C8C H8C1 SING N N 91  
F43 C8C H8C2 SING N N 92  
F43 C9C CAC  SING N N 93  
F43 C9C H9C1 SING N N 94  
F43 C9C H9C2 SING N N 95  
F43 CAC OBC  DOUB N N 96  
F43 CAC OCC  SING N N 97  
F43 OCC HOC  SING N N 98  
F43 ND  C1D  SING Y N 99  
F43 ND  C4D  SING Y N 100 
F43 CHD C1D  SING N N 101 
F43 CHD C7D  SING N N 102 
F43 C1D C2D  DOUB Y N 103 
F43 C2D C3D  SING Y N 104 
F43 C2D C5D  SING N N 105 
F43 C3D C4D  DOUB Y N 106 
F43 C3D C9D  SING N N 107 
F43 C5D C6D  SING N N 108 
F43 C5D H5D1 SING N N 109 
F43 C5D H5D2 SING N N 110 
F43 C6D C7D  SING N N 111 
F43 C6D H6D1 SING N N 112 
F43 C6D H6D2 SING N N 113 
F43 C7D O8D  DOUB N N 114 
F43 C9D CAD  SING N N 115 
F43 C9D H9D1 SING N N 116 
F43 C9D H9D2 SING N N 117 
F43 CAD OBD  DOUB N N 118 
F43 CAD OCD  SING N N 119 
F43 OCD HOD  SING N N 120 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
F43 InChI            InChI                1.02b 
;InChI=1/C42H50N6O13.Ni/c1-40(16-30(43)50)22(5-9-33(54)55)27-15-42-41(2,17-31(51)48-42)23(6-10-34(56)57)26(47-42)13-24-20(11-35(58)59)19(4-8-32(52)53)39(45-24)37-28(49)7-3-18-21(12-36(60)61)25(46-38(18)37)14-29(40)44-27;/h13,19-20,22-23,26-27H,3-12,14-17H2,1-2H3,(H9,43,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61);/q-2;+3/p-1/b24-13-;/t19-,20-,22+,23+,26-,27-,40-,41-,42-;/m0./s1/fC42H49N6O13.Ni/h48,52,54,56,58,60H,43H2;/q-3;m/b24-13-,39-37-;/rC42H49N6NiO13/c1-40(16-30(43)51)22(5-9-33(55)56)27-15-42-41(2,17-31(52)44-42)23(6-10-34(57)58)26-13-24-20(11-35(59)60)19(4-8-32(53)54)39-37-28(50)7-3-18-21(12-36(61)62)25-14-29(40)45(27)49(46(24)39,48(26)42)47(25)38(18)37/h13,19-20,22-23,26-27H,3-12,14-17H2,1-2H3,(H2,43,51)(H,44,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/t19-,20-,22+,23+,26-,27-,40-,41-,42+/m0/s1/f/h44,53,55,57,59,61H,43H2
;
F43 InChIKey         InChI                1.02b GYTCYCYCZFADOK-AOPXNBHZDS 
F43 SMILES_CANONICAL CACTVS               3.341 C[C@]1(CC(N)=O)[C@H](CCC(O)=O)[C@@H]2C[C@]34NC(=O)C[C@@]3(C)[C@H](CCC(O)=O)[C@@H]5C=C6[C@@H](CC(O)=O)[C@H](CCC(O)=O)C7=C8C(=O)CCc9c(CC(O)=O)c%10CC1=N2|[Ni](N45)(N67)n%10c89 
F43 SMILES           CACTVS               3.341 C[C]1(CC(N)=O)[CH](CCC(O)=O)[CH]2C[C]34NC(=O)C[C]3(C)[CH](CCC(O)=O)[CH]5C=C6[CH](CC(O)=O)[CH](CCC(O)=O)C7=C8C(=O)CCc9c(CC(O)=O)c%10CC1=N2|[Ni](N45)(N67)n%10c89 
F43 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C[C@@]12CC(=O)N[C@@]13C[C@H]4[C@H]([C@](C5=[N]4[Ni]67[N@]3C([C@H]2CCC(=O)O)C=C8N6C(=C9c1n7c(c(c1CCC9=O)CC(=O)O)C5)[C@H]([C@@H]8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O 
F43 SMILES           "OpenEye OEToolkits" 1.5.0 CC12CC(=O)NC13CC4C(C(C5=[N]4[Ni]67N3C(C2CCC(=O)O)C=C8N6C(=C9c1n7c(c(c1CCC9=O)CC(=O)O)C5)C(C8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O 
# 
