* LIGAND DATABASE FILE (OPLS2005)
*
001      98   105    193    346     592
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02046   103.48108   -38.55990
    3     1 S   H    _H1_     3     1.02001    71.08945    66.89021
    4     1 S   H    _H2_     4     1.02095    42.37378  -141.59932
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C32    36     1.87170    96.59976   161.85510
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C31    37     1.53539   109.17102   160.00647
   38    33 S   CT   _C19    87     1.56303   107.99706   -77.51555
   39    38 S   HC   _H6_    88     1.09870   109.30096    51.30603
   40    33 S   OH   _O38    97     1.41895   106.76770    41.65212
   41    40 S   HO   _H18    98     0.97111   106.94026   -61.85902
   42    37 S   CM   _C30    38     1.35390   122.92943   -60.71689
   43    42 S   CA   _C29    39     1.47565   121.24932  -179.44609
   44    42 S   OH   _O39    95     1.38041   123.44157     1.25507
   45    44 S   HO   _H19    96     0.96188   109.82155    -0.65012
   46    43 S   CA   _C24    40     1.40141   119.39147   -16.41098
   47    46 S   CA   _C25    41     1.40008   121.65153  -176.70758
   48    47 S   HA   _H16    42     1.08693   120.85358   179.97202
   49    46 S   CO4  _C23    53     1.47801   118.69390     4.92501
   50    49 S   O    _O37    54     1.22692   119.13194  -157.62149
   51    47 S   CA   _C26    43     1.39123   119.57278    -1.29150
   52    37 S   CT   _C22    55     1.53812   116.21489   124.17923
   53    51 S   CA   _C27    44     1.39285   119.82081    -0.19584
   54    53 S   HA   _H17    45     1.08743   119.93303  -179.25796
   55    51 S   CT   _C33    49     1.49136   120.12880  -179.54072
   56    55 S   HC   _H21    50     1.09607   110.44230    89.97377
   57    55 S   HC   _H22    51     1.09809   111.31517  -149.49241
   58    55 S   HC   _H23    52     1.09808   111.25098   -30.52985
   59    52 S   CT   _C14    56     1.58018   111.05246    89.15444
   60    59 S   HC   _H3_    57     1.09525   114.29705    97.41825
   61    52 S   CT   _C21    83     1.58499   115.08483   -28.36648
   62    61 S   HC   _H8_    84     1.09569   114.07995  -134.51088
   63    43 S   CA   _C28    46     1.40399   122.90869   164.80602
   64    59 S   CO4  _C13    58     1.53654   112.95808   -26.61452
   65    64 S   O    _O35    59     1.22973   120.80422   102.56834
   66    61 S   CT   _C20    85     1.51332   115.22115    -4.13143
   67    66 S   HC   _H7_    86     1.09248   111.11262   -66.78962
   68    59 S   CT   _C15    91     1.52371   102.90427  -142.68189
   69    68 S   HC   _H4_    92     1.09799   110.12473   -71.36679
   70    63 S   OH   _O40    47     1.36507   122.31188    -3.33120
   71    70 S   HO   _H20    48     0.96914   110.03762  -179.45428
   72    64 S   CT   _C12    60     1.52946   116.10806   -78.33999
   73    72 S   HC   _H15    61     1.10132   104.00206   -86.57050
   74    66 S   OH   _O41    89     1.42108   111.00972   174.21616
   75    74 S   HO   _H24    90     0.97128   106.72555  -180.00000
   76    68 S   OH   _O42    93     1.41018   114.24202   168.24562
   77    76 S   HO   _H25    94     0.97432   107.41012  -180.00000
   78    72 S   CO4  _C11    62     1.51576   117.83589   161.90121
   79    78 S   O    _O34    63     1.22653   121.94329    16.42494
   80    78 S   CA   _C8_    64     1.48127   116.71319  -167.61007
   81    80 S   CA   _C7_    65     1.39905   120.67703     4.20966
   82    81 S   CA   _C6_    66     1.39849   120.06366  -177.19795
   83    82 S   HA   _H12    67     1.08731   120.81948  -179.69674
   84    81 S   CO4  _C18    78     1.48347   120.62469     4.18086
   85    84 S   O    _O36    79     1.22690   119.32627  -162.02274
   86    82 S   CA   _C5_    68     1.39501   119.92552    -0.62589
   87    72 S   CT   _C17    80     1.54319   110.28306    29.40630
   88    86 S   CA   _C10    69     1.39371   120.10024     0.00000
   89    88 S   HA   _H13    70     1.08725   120.00403  -179.87028
   90    86 S   CT   _C4_    74     1.49135   119.99957  -179.67195
   91    90 S   HC   _H9_    75     1.09689   110.41798    89.93749
   92    90 S   HC   _H10    76     1.09695   111.31734  -149.49501
   93    90 S   HC   _H11    77     1.09853   111.19911   -30.52834
   94    87 S   CT   _C16    81     1.58588   110.08528   -48.93304
   95    94 S   HC   _H5_    82     1.09383   113.19239  -124.08068
   96    80 S   CA   _C9_    71     1.39905   119.53795  -173.81946
   97    96 S   OH   _O33    72     1.36358   122.87994    -2.03932
   98    97 S   HO   _H14    73     0.96941   110.11631    -0.33279
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   2   1   1  22  22   9   5   1  12  14   4   1  12  12   4
  12   3   8  16   8   3   4   2   1   1  16   8  14   7   2  12
   5   9   4   8   5   1   1  11   6   3   1   4   1  10   4  12
  11  12   4   6   2   8   2   8   3   4   2   1   1   1   1   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    52    87    66    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    49    52    59    72    84    87    94    61    66    67    38    39    74    44    40    41  
   35    36  
   36  
    0  
   42    43    46    63    49    50    52    59    60    64    87    94    61    62    66    38    39    68    44    45    40    41  
   39    74    75    68    40    41    42    52    61    62    64    66    67    72    73    78    81    84    85    87    94    95  
   74    40    61    66    67    72    84    87    94  
   41    42    52    66    87  
    0  
   43    46    47    53    63    70    49    52    59    61    44    45  
   46    47    48    51    53    54    63    70    71    49    50    52    44    45  
   45    46    52    63  
    0  
   47    48    51    53    63    70    55    49    50    52    59    61  
   48    51    53    54    63    55    56    57    58    49    50    52  
   51    53    55    49  
   50    52    59    60    64    94    61    62    66    68    51    63  
   52    59    61  
   53    54    63    70    55    56    57    58  
   59    60    64    65    72    87    94    95    61    62    66    67    74    68    69    76  
   54    63    70    71    55    56    57    58  
   63    70    55  
   56    57    58    63  
   57    58  
   58  
    0  
   60    64    65    72    73    78    87    94    95    61    62    66    68    69    76    77  
   64    65    72    94    61    68    69    76  
   62    66    67    74    75    68    69    76    64    72    84    87    94    95  
   66    67    74    68    87    94    95  
   70    71  
   65    72    73    78    79    80    84    87    94    68    69    76  
   72    73    78    87    68  
   67    74    75    68    72    84    87    94    95  
   74    75    87    94  
   69    76    77    72    84    87    94    95  
   76    77    87    94    95  
   71  
    0  
   73    78    79    80    81    96    84    85    87    94    95  
   78    79    80    84    87    94  
   75    87    94  
    0  
   77    87    94    95  
   94  
   79    80    81    82    88    96    97    84    87    94  
   80    81    96    87  
   81    82    83    86    88    89    96    97    98    84    85    87  
   82    83    86    88    96    97    90    84    85    87    94  
   83    86    88    89    96    90    91    92    93    84    85    87  
   86    88    90    84  
   85    87    94    95    86    96  
   87    94  
   88    89    96    97    90    91    92    93  
   94    95  
   89    96    97    98    90    91    92    93  
   96    97    90  
   91    92    93    96  
   92    93  
   93  
    0  
   95  
    0  
   97    98  
   98  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   97   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    40   320.000  1.410
   37    42   549.000  1.340
   37    52   317.000  1.510
   42    43   320.000  1.460
   42    44   510.000  1.338
   43    46   469.000  1.400
   43    63   469.000  1.400
   46    47   469.000  1.400
   46    49   310.000  1.470
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   469.000  1.400
   51    55   317.000  1.510
   53    54   367.000  1.080
   53    63   469.000  1.400
   63    70   450.000  1.364
   70    71   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   49    50   570.000  1.229
   49    52   317.000  1.522
   52    59   268.000  1.529
   52    61   268.000  1.529
   59    60   340.000  1.090
   59    64   317.000  1.522
   59    68   268.000  1.529
   64    65   570.000  1.229
   64    72   317.000  1.522
   72    73   340.000  1.090
   72    78   317.000  1.522
   72    87   268.000  1.529
   78    79   570.000  1.229
   78    80   310.000  1.470
   80    81   469.000  1.400
   80    96   469.000  1.400
   81    82   469.000  1.400
   81    84   310.000  1.470
   82    83   367.000  1.080
   82    86   469.000  1.400
   86    88   469.000  1.400
   86    90   317.000  1.510
   88    89   367.000  1.080
   88    96   469.000  1.400
   96    97   450.000  1.364
   97    98   553.000  0.945
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   84    85   570.000  1.229
   84    87   317.000  1.522
   87    94   268.000  1.529
   87    38   268.000  1.529
   94    95   340.000  1.090
   94    61   268.000  1.529
   94    68   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    38   268.000  1.529
   66    74   320.000  1.410
   38    39   340.000  1.090
   74    75   553.000  0.945
   68    69   340.000  1.090
   68    76   320.000  1.410
   76    77   553.000  0.945
   44    45   553.000  0.945
   40    41   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    52    65.00000  117.92700
   33    38    87    58.35000  112.70000
   33    38    66    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    40    41    55.00000  108.50000
   37    42    43    60.00000  123.20500
   37    42    44    80.00000  121.38400
   37    52    49    70.00000  109.06800
   37    52    59    70.00000  112.02700
   37    52    61    70.00000  112.02700
   42    43    46    60.00000  120.93500
   42    43    63    60.00000  120.93500
   42    44    45    70.00000  107.45700
   43    46    47    63.00000  120.00000
   43    46    49    60.00000  119.52600
   43    63    53    63.00000  120.00000
   43    63    70    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    49    50    75.00000  123.78400
   46    49    52    65.00000  115.47100
   47    51    53    63.00000  120.00000
   47    51    55    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    63    63.00000  120.00000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   53    63    70    70.00000  120.00000
   63    43    46    63.00000  120.00000
   63    53    54    35.00000  120.00000
   63    70    71    35.00000  113.00000
   55    51    53    70.00000  120.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   49    46    47    60.00000  119.52600
   49    52    59    63.00000  111.10000
   49    52    61    63.00000  111.10000
   52    37    42    70.00000  124.00000
   52    49    50    80.00000  120.40000
   52    59    60    37.50000  110.70000
   52    59    64    63.00000  111.10000
   52    59    68    58.35000  112.70000
   52    61    94    58.35000  112.70000
   52    61    62    37.50000  110.70000
   52    61    66    58.35000  112.70000
   59    64    65    80.00000  120.40000
   59    64    72    70.00000  116.00000
   59    68    94    58.35000  112.70000
   59    68    69    37.50000  110.70000
   59    68    76    50.00000  109.50000
   64    59    60    35.00000  109.50000
   64    72    73    35.00000  109.50000
   64    72    78    75.00000  107.99600
   64    72    87    63.00000  111.10000
   72    64    65    80.00000  120.40000
   72    78    79    80.00000  120.40000
   72    78    80    65.00000  115.47100
   72    87    84    63.00000  111.10000
   72    87    94    58.35000  112.70000
   72    87    38    58.35000  112.70000
   78    72    73    35.00000  109.50000
   78    80    81    60.00000  119.52600
   78    80    96    60.00000  119.52600
   80    78    79    75.00000  123.78400
   80    81    82    63.00000  120.00000
   80    81    84    60.00000  119.52600
   80    96    88    63.00000  120.00000
   80    96    97    70.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    86    63.00000  120.00000
   81    84    85    75.00000  123.78400
   81    84    87    65.00000  115.47100
   82    86    88    63.00000  120.00000
   82    86    90    70.00000  120.00000
   86    82    83    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    96    63.00000  120.00000
   86    90    91    35.00000  109.50000
   86    90    92    35.00000  109.50000
   86    90    93    35.00000  109.50000
   88    96    97    70.00000  120.00000
   96    80    81    63.00000  120.00000
   96    88    89    35.00000  120.00000
   96    97    98    35.00000  113.00000
   90    86    88    70.00000  120.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   84    81    82    60.00000  119.52600
   84    87    94    63.00000  111.10000
   84    87    38    63.00000  111.10000
   87    72    73    37.50000  110.70000
   87    72    78    63.00000  111.10000
   87    84    85    80.00000  120.40000
   87    94    95    37.50000  110.70000
   87    94    61    58.35000  112.70000
   87    94    68    58.35000  112.70000
   87    38    66    58.35000  112.70000
   87    38    39    37.50000  110.70000
   94    61    62    37.50000  110.70000
   94    61    66    58.35000  112.70000
   94    68    69    37.50000  110.70000
   94    68    76    50.00000  109.50000
   61    52    59    58.35000  112.70000
   61    94    95    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    38    58.35000  112.70000
   61    66    74    50.00000  109.50000
   66    61    62    37.50000  110.70000
   66    38    39    37.50000  110.70000
   66    74    75    55.00000  108.50000
   38    33    37    70.00000  112.02700
   38    87    94    58.35000  112.70000
   38    66    67    37.50000  110.70000
   74    66    67    35.00000  109.50000
   74    66    38    50.00000  109.50000
   68    59    60    37.50000  110.70000
   68    59    64    63.00000  111.10000
   68    94    95    37.50000  110.70000
   68    94    61    58.35000  112.70000
   68    76    77    55.00000  108.50000
   76    68    69    35.00000  109.50000
   44    42    43    85.00000  114.86500
   40    33    37    90.00000  110.39200
   40    33    38    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    52   0.30250  1.0 1.0
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   67    66    38    87   0.15000  1.0 3.0
   67    66    38    39   0.15000  1.0 3.0
   67    66    74    75   0.19450  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33   -37    52   0.46850  1.0 1.0
   38    33   -37    52   0.08550 -1.0 2.0
   38    33   -37    52   0.09800  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   38    87    94    95   0.15000  1.0 3.0
   38    87   -94    61   0.56750  1.0 1.0
   38    87   -94    61  -0.07550 -1.0 2.0
   38    87   -94    61   0.20000  1.0 3.0
   38    87    94    68   0.56750  1.0 1.0
   38    87    94    68  -0.07550 -1.0 2.0
   38    87    94    68   0.20000  1.0 3.0
   38    66    74    75  -0.11600  1.0 1.0
   38    66    74    75  -0.09450 -1.0 2.0
   38    66    74    75   0.21250  1.0 3.0
   74    66    38    33   0.86500  1.0 1.0
   74    66    38    33  -0.17500 -1.0 2.0
   74    66    38    33   0.20800  1.0 3.0
   74    66    38    87   0.86500  1.0 1.0
   74    66    38    87  -0.17500 -1.0 2.0
   74    66    38    87   0.20800  1.0 3.0
   74    66    38    39   0.23400  1.0 3.0
   68    59    64    65   0.30150 -1.0 2.0
   68    59   -64    72   0.60050  1.0 1.0
   68    59   -64    72   0.05600 -1.0 2.0
   68    59   -64    72   0.26150  1.0 3.0
   68    94   -61    52   0.56750  1.0 1.0
   68    94   -61    52  -0.07550 -1.0 2.0
   68    94   -61    52   0.20000  1.0 3.0
   68    94    61    62   0.15000  1.0 3.0
   68    94    61    66   0.56750  1.0 1.0
   68    94    61    66  -0.07550 -1.0 2.0
   68    94    61    66   0.20000  1.0 3.0
   69    68    76    77   0.19450  1.0 3.0
   44    42    43    46  -0.01750  1.0 1.0
   44    42    43    46  -0.32000 -1.0 2.0
   44    42    43    46   0.00600  1.0 3.0
   44    42    43    63  -0.01750  1.0 1.0
   44    42    43    63  -0.32000 -1.0 2.0
   44    42    43    63   0.00600  1.0 3.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    52   0.18000  1.0 1.0
   40    33    37    52   0.16450 -1.0 2.0
   40    33    37    52   0.04450  1.0 3.0
   40    33    38    87   0.86500  1.0 1.0
   40    33    38    87  -0.17500 -1.0 2.0
   40    33    38    87   0.20800  1.0 3.0
   40    33    38    66   0.86500  1.0 1.0
   40    33    38    66  -0.17500 -1.0 2.0
   40    33    38    66   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    52    37    42   1.10000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   46    63    43    42   4.00000 -1.0 2.0
   47    49    46    43   4.00000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   53    55    51    47   4.00000 -1.0 2.0
   63    54    53    51   1.10000 -1.0 2.0
   53    70    63    43   4.00000 -1.0 2.0
   46    52    49    50  10.50000 -1.0 2.0
   59    72    64    65  10.50000 -1.0 2.0
   72    80    78    79  10.50000 -1.0 2.0
   81    96    80    78   4.00000 -1.0 2.0
   82    84    81    80   4.00000 -1.0 2.0
   86    83    82    81   1.10000 -1.0 2.0
   88    90    86    82   4.00000 -1.0 2.0
   96    89    88    86   1.10000 -1.0 2.0
   88    97    96    80   4.00000 -1.0 2.0
   81    87    84    85  10.50000 -1.0 2.0
END
