* LIGAND DATABASE FILE (OPLS2005)
*
001      95    97    166    241     470
    1     0 S   NP   _N1_     1    28.68143    98.67568   -23.05380
    2     1 S   H    _HN1     2     1.02828    52.78933   171.89833
    3     1 S   H    _H1_     3     1.02786    99.90203   -83.09274
    4     1 S   H    _H2_     4     1.02950    60.15155    22.48236
    5     1 S   CT   _CA1     5     1.50109   147.68998   103.54880
    6     5 S   HC   _HA1     6     1.09573   105.20281   111.55821
    7     5 S   CO3  _C1_     7     1.53789   112.46026    -8.68896
    8     7 S   O2Z  _O11     8     1.26371   115.00843   -42.72203
    9     7 S   O2Z  _O12     9     1.26240   114.94680   136.43565
   10     5 S   CT   _CB1    10     1.53082   107.42340  -130.45551
   11    10 S   HC   HB11    11     1.09832   109.37994   -49.78049
   12    10 S   HC   HB12    12     1.09813   110.44293    66.82818
   13    10 S   CT   _CG1    13     1.52988   112.60200  -170.76247
   14    13 S   HC   HG11    14     1.09582   110.62080   -65.37637
   15    13 S   HC   HG12    15     1.09670   109.79659    53.85348
   16    13 S   C    _CD1    16     1.51799   112.24235   174.30952
   17    16 S   O    _OE1    17     1.22729   123.29247     6.33193
   18    16 S   N    _N2_    18     1.38656   111.65923  -173.75198
   19    18 S   H    _HN2    19     1.01579   118.93095     1.81273
   20    18 S   CT1  _CA2    20     1.46193   123.39357   177.59328
   21    20 S   HC   _HA2    21     1.09735   109.37042     2.59118
   22    20 S   C    _C2_    22     1.53554   108.60328  -112.91026
   23    22 S   O    _O2_    23     1.23059   122.28705  -147.78855
   24    20 S   CT   _CB2    32     1.53322   111.59489   124.61355
   25    24 S   HC   HB21    33     1.09590   110.09136    56.26064
   26    24 S   HC   HB22    34     1.09465   109.95208   175.34310
   27    22 S   N    _N3_    24     1.38331   113.70441    39.63853
   28    27 S   H    _HN3    25     1.01585   119.58901    -3.30008
   29    24 S   S    _SG2    35     1.82840   111.53939   -64.69129
   30    27 S   CT   _CA3    26     1.45286   123.20962   177.13208
   31    30 S   HC   HA31    27     1.09551   107.50604   -64.65811
   32    30 S   HC   HA32    28     1.09558   107.98992    51.78098
   33    29 S   CT   _C16    36     1.83833    99.64517   173.22845
   34    33 S   HC   _H3_    37     1.09714   106.55951   -51.23807
   35    30 S   CO3  _C3_    29     1.52962   114.07977   173.77855
   36    35 S   O2Z  _O31    30     1.26377   116.06669    -0.76643
   37    35 S   O2Z  _O32    31     1.26428   114.41244   179.29696
   38    33 S   CA   _C17    38     1.51876   111.91635    68.47774
   39    33 S   CT   _C15    63     1.53957   108.58311  -167.08430
   40    39 S   HC   _H17    64     1.09466   110.77195   -63.90076
   41    39 S   HC   _H18    65     1.09754   111.26764    54.82817
   42    38 S   CA   _C18    39     1.40125   119.66783  -115.60336
   43    42 S   HA   _H19    40     1.08741   120.51814     1.45884
   44    39 S   CO4  _C14    66     1.52033   110.54837   173.00468
   45    44 S   O    _O38    67     1.22830   122.38779   -61.85662
   46    42 S   CA   _C19    41     1.39655   120.64045  -177.81215
   47    46 S   HA   _H20    42     1.08748   119.22544   179.45679
   48    44 S   CA   _C6_    68     1.48228   118.60735   114.00988
   49    46 S   CA   _C20    43     1.39710   120.65743     0.06256
   50    48 S   CA   _C7_    69     1.40361   119.49320  -126.17202
   51    49 S   CA   _C21    44     1.39466   119.17598    -0.78882
   52    51 S   HA   _H21    45     1.08537   122.01466  -179.49294
   53    49 S   OS   _O39    48     1.36890   114.92756   179.10759
   54    50 S   CA   _C8_    70     1.39908   120.03893   176.01179
   55    50 S   OH   _O37    94     1.37020   122.33229    -3.49194
   56    55 S   HO   _H16    95     0.97287   109.40527    -9.63464
   57    38 S   CA   _C22    46     1.40338   122.00594    65.87203
   58    57 S   HA   _H22    47     1.08758   120.52219    -1.89383
   59    53 S   CT   _C23    49     1.42615   117.00558  -176.09335
   60    59 S   HC   _H23    50     1.09749   110.82854    57.23302
   61    59 S   HC   _H24    51     1.09728   110.56054   -63.56214
   62    54 S   CA   _C9_    71     1.39809   120.13701     2.99964
   63    54 S   OS   _O36    89     1.37233   120.41035   179.57942
   64    59 S   CA   _C24    52     1.50587   107.85237   176.82584
   65    62 S   CA   _C10    72     1.39763   119.89479    -3.37290
   66    62 S   OS   _O35    84     1.37146   119.93744  -179.82983
   67    63 S   CT   _C13    90     1.42799   110.19575    86.84548
   68    67 S   HC   _H13    91     1.09405   107.79641   173.54120
   69    67 S   HC   _H14    92     1.09581   111.59925    55.12515
   70    67 S   HC   _H15    93     1.09449   111.06986   -68.41117
   71    64 S   CA   _C25    53     1.40146   120.45489   -89.76391
   72    71 S   HA   _H25    54     1.08701   120.38184    -1.02679
   73    48 S   CA   _C5_    73     1.40239   120.88983    53.19831
   74    65 S   OS   _O34    79     1.37193   119.81294  -179.34628
   75    66 S   CT   _C12    85     1.42796   110.09662   -92.42064
   76    75 S   HC   _H10    86     1.09405   107.79271   179.68163
   77    75 S   HC   _H11    87     1.09547   111.29698    61.41037
   78    75 S   HC   _H12    88     1.09544   111.29426   -62.05128
   79    71 S   CA   _C26    55     1.39578   120.41801   178.90264
   80    79 S   HA   _H26    56     1.08627   119.94251   179.81233
   81    73 S   OS   _O33    74     1.37203   120.67682     2.78839
   82    74 S   CT   _C11    80     1.42800   110.02516    92.58073
   83    82 S   HC   _H7_    81     1.09403   107.79892  -179.74666
   84    82 S   HC   _H8_    82     1.09548   111.29463    61.97064
   85    82 S   HC   _H9_    83     1.09551   111.27317   -61.47141
   86    79 S   CA   _C27    57     1.39374   120.07108    -0.36099
   87    86 S   HA   _H27    58     1.08617   120.02452  -179.93147
   88    81 S   CT   _C4_    75     1.42846   110.26152    92.99171
   89    88 S   HC   _H4_    76     1.09402   107.76627  -178.32240
   90    88 S   HC   _H5_    77     1.09524   111.29420    63.40863
   91    88 S   HC   _H6_    78     1.09550   111.31256   -60.05851
   92    86 S   CA   _C28    59     1.39375   119.95391    -0.17694
   93    92 S   HA   _H28    60     1.08628   119.98273  -179.64612
   94    64 S   CA   _C29    61     1.40142   120.45210    88.21962
   95    94 S   HA   _H29    62     1.08723   120.34741     0.99308
  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   9   5   4   3
  14   7   2   1   1  13   9   4   3   8   4   8   3   7   3  11
   9  10   5   3   7  13   4   1   1   1   9   4   3  12   6   9
  10   6   3   2   1   1   8   4   7   5   3   2   1   1   6   3
   4   3   2   1   1   5   3   3   2   1   1   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    57    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    51    57    58    39    40    41    44    45    48  
   38    42    57    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    51    52    57    58    39    40    41    44  
   40    41    44    45    48    50    73    42    57  
   41    44    45    48  
   44    45    48  
   43    46    47    49    51    57    58    53  
   46    47    49    57  
   45    48    50    54    65    73    81    55  
   48    50    73  
   47    49    51    52    57    53    59  
   49    51    53  
   50    54    62    65    73    81    88    74    63    55    56  
   51    52    57    58    53    59    60    61    64  
   54    62    65    73    81    66    63    67    55    56  
   52    57    58    53    59  
   57    58    53  
   59    60    61    64    71    94    57  
   62    65    73    74    66    75    63    67    68    69    70    55    56  
   56    62    63    73  
    0  
   58  
    0  
   60    61    64    71    72    79    92    94    95  
   61    64    71    94  
   64    71    94  
   65    73    81    74    82    66    75    76    77    78    63    67  
   67    68    69    70    65    66  
   71    72    79    80    86    92    93    94    95  
   73    81    88    74    82    83    84    85    66    75  
   75    76    77    78    73    74  
   68    69    70  
   69    70  
   70  
    0  
   72    79    80    86    87    92    94    95  
   79    80    86    94  
   81    88    89    90    91    74    82  
   82    83    84    85    81  
   76    77    78  
   77    78  
   78  
    0  
   80    86    87    92    93    94  
   86    87    92  
   88    89    90    91  
   83    84    85  
   84    85  
   85  
    0  
   87    92    93    94    95  
   92    93    94  
   89    90    91  
   90    91  
   91  
    0  
   93    94    95  
   94    95  
   95  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.181800   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    57   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   53    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   317.000  1.510
   64    71   469.000  1.400
   64    94   469.000  1.400
   71    72   367.000  1.080
   71    79   469.000  1.400
   79    80   367.000  1.080
   79    86   469.000  1.400
   86    87   367.000  1.080
   86    92   469.000  1.400
   92    93   367.000  1.080
   92    94   469.000  1.400
   94    95   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   310.000  1.470
   48    50   469.000  1.400
   48    73   469.000  1.400
   50    54   469.000  1.400
   50    55   450.000  1.364
   54    62   469.000  1.400
   54    63   450.000  1.364
   62    65   469.000  1.400
   62    66   450.000  1.364
   65    73   469.000  1.400
   65    74   450.000  1.364
   73    81   450.000  1.364
   81    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   74    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   66    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    57    51    63.00000  120.00000
   38    57    58    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    51    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    57    63.00000  120.00000
   49    53    59    75.00000  111.00000
   51    57    58    35.00000  120.00000
   57    38    42    63.00000  120.00000
   57    51    52    35.00000  120.00000
   53    49    51    70.00000  120.00000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    64    85.00000  111.85700
   59    64    71    70.00000  120.00000
   59    64    94    70.00000  120.00000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   64    71    72    35.00000  120.00000
   64    71    79    63.00000  120.00000
   64    94    92    63.00000  120.00000
   64    94    95    35.00000  120.00000
   71    79    80    35.00000  120.00000
   71    79    86    63.00000  120.00000
   79    71    72    35.00000  120.00000
   79    86    87    35.00000  120.00000
   79    86    92    63.00000  120.00000
   86    79    80    35.00000  120.00000
   86    92    93    35.00000  120.00000
   86    92    94    63.00000  120.00000
   92    86    87    35.00000  120.00000
   92    94    95    35.00000  120.00000
   94    64    71    63.00000  120.00000
   94    92    93    35.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    65.00000  115.47100
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    60.00000  119.52600
   44    48    73    60.00000  119.52600
   48    44    45    75.00000  123.78400
   48    50    54    63.00000  120.00000
   48    50    55    70.00000  120.00000
   48    73    65    63.00000  120.00000
   48    73    81    70.00000  120.00000
   50    54    62    63.00000  120.00000
   50    54    63    70.00000  120.00000
   50    55    56    35.00000  113.00000
   54    62    65    63.00000  120.00000
   54    62    66    70.00000  120.00000
   54    63    67    75.00000  111.00000
   62    65    73    63.00000  120.00000
   62    65    74    70.00000  120.00000
   62    66    75    75.00000  111.00000
   65    73    81    70.00000  120.00000
   65    74    82    75.00000  111.00000
   73    48    50    63.00000  120.00000
   73    81    88    75.00000  111.00000
   81    88    89    35.00000  109.50000
   81    88    90    35.00000  109.50000
   81    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   74    65    73    70.00000  120.00000
   74    82    83    35.00000  109.50000
   74    82    84    35.00000  109.50000
   74    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   66    62    65    70.00000  120.00000
   66    75    76    35.00000  109.50000
   66    75    77    35.00000  109.50000
   66    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   63    54    62    70.00000  120.00000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    50    54    70.00000  120.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    57    51   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.05850 -1.0 2.0
   33    39    44    48   0.17250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    57    51   3.62500 -1.0 2.0
   42    38    57    58   3.62500 -1.0 2.0
   42    46   -49    51   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    51    52   3.62500 -1.0 2.0
   46    49    51    57   3.62500 -1.0 2.0
   46    49    53    59   1.63200 -1.0 2.0
   47    46    49    51   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    51   -57    38   3.62500 -1.0 2.0
   49    51    57    58   3.62500 -1.0 2.0
   49    53    59    60   0.08050  1.0 3.0
   49    53    59    61   0.08050  1.0 3.0
   49    53    59    64  -0.50150  1.0 1.0
   49    53    59    64  -0.23050 -1.0 2.0
   49    53    59    64   0.70600  1.0 3.0
   51    49    53    59   1.63200 -1.0 2.0
   52    51    57    38   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   57    38    42    43   3.62500 -1.0 2.0
   57    38   -42    46   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   53    49    51    57   3.62500 -1.0 2.0
   53    59    64    71   0.64500  1.0 1.0
   53    59    64    71   0.14800 -1.0 2.0
   53    59    64    71   0.20650  1.0 3.0
   53    59    64    94   0.64500  1.0 1.0
   53    59    64    94   0.14800 -1.0 2.0
   53    59    64    94   0.20650  1.0 3.0
   59    64    71    72   3.62500 -1.0 2.0
   59    64    71    79   3.62500 -1.0 2.0
   59    64    94    92   3.62500 -1.0 2.0
   59    64    94    95   3.62500 -1.0 2.0
   60    59    64    71   0.00000  1.0 1.0
   60    59    64    94   0.00000  1.0 1.0
   61    59    64    71   0.00000  1.0 1.0
   61    59    64    94   0.00000  1.0 1.0
   64    71    79    80   3.62500 -1.0 2.0
   64    71    79    86   3.62500 -1.0 2.0
   71    64    94    92   3.62500 -1.0 2.0
   71    64    94    95   3.62500 -1.0 2.0
   71    79    86    87   3.62500 -1.0 2.0
   71    79   -86    92   3.62500 -1.0 2.0
   72    71    79    80   3.62500 -1.0 2.0
   72    71    79    86   3.62500 -1.0 2.0
   79    86    92    93   3.62500 -1.0 2.0
   79    86    92    94   3.62500 -1.0 2.0
   80    79    86    87   3.62500 -1.0 2.0
   80    79    86    92   3.62500 -1.0 2.0
   86    92   -94    64   3.62500 -1.0 2.0
   86    92    94    95   3.62500 -1.0 2.0
   87    86    92    93   3.62500 -1.0 2.0
   87    86    92    94   3.62500 -1.0 2.0
   93    92    94    64   3.62500 -1.0 2.0
   93    92    94    95   3.62500 -1.0 2.0
   94    64    71    72   3.62500 -1.0 2.0
   94    64   -71    79   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    44    48    50   2.26350  1.0 1.0
   39    44    48    50   0.76750 -1.0 2.0
   39    44    48    50   0.22500  1.0 3.0
   39    44    48    73   2.26350  1.0 1.0
   39    44    48    73   0.76750 -1.0 2.0
   39    44    48    73   0.22500  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    54   3.62500 -1.0 2.0
   44    48    50    55   3.62500 -1.0 2.0
   44    48    73    65   3.62500 -1.0 2.0
   44    48    73    81   3.62500 -1.0 2.0
   45    44    48    50   1.05000 -1.0 2.0
   45    44    48    73   1.05000 -1.0 2.0
   48    50    54    62   3.62500 -1.0 2.0
   48    50    54    63   3.62500 -1.0 2.0
   48    50    55    56   0.84100 -1.0 2.0
   48    73    81    88   1.63200 -1.0 2.0
   50    48    73    65   3.62500 -1.0 2.0
   50    48    73    81   3.62500 -1.0 2.0
   50    54   -62    65   3.62500 -1.0 2.0
   50    54    62    66   3.62500 -1.0 2.0
   50    54    63    67   1.63200 -1.0 2.0
   54    50    55    56   0.84100 -1.0 2.0
   54    62    65    73   3.62500 -1.0 2.0
   54    62    65    74   3.62500 -1.0 2.0
   54    62    66    75   1.63200 -1.0 2.0
   54    63    67    68   0.08050  1.0 3.0
   54    63    67    69   0.08050  1.0 3.0
   54    63    67    70   0.08050  1.0 3.0
   62    54    63    67   1.63200 -1.0 2.0
   62    65   -73    48   3.62500 -1.0 2.0
   62    65    73    81   3.62500 -1.0 2.0
   62    65    74    82   1.63200 -1.0 2.0
   62    66    75    76   0.08050  1.0 3.0
   62    66    75    77   0.08050  1.0 3.0
   62    66    75    78   0.08050  1.0 3.0
   65    62    66    75   1.63200 -1.0 2.0
   65    73    81    88   1.63200 -1.0 2.0
   65    74    82    83   0.08050  1.0 3.0
   65    74    82    84   0.08050  1.0 3.0
   65    74    82    85   0.08050  1.0 3.0
   73    48   -50    54   3.62500 -1.0 2.0
   73    48    50    55   3.62500 -1.0 2.0
   73    65    74    82   1.63200 -1.0 2.0
   73    81    88    89   0.08050  1.0 3.0
   73    81    88    90   0.08050  1.0 3.0
   73    81    88    91   0.08050  1.0 3.0
   74    65    73    48   3.62500 -1.0 2.0
   74    65    73    81   3.62500 -1.0 2.0
   66    62    65    73   3.62500 -1.0 2.0
   66    62    65    74   3.62500 -1.0 2.0
   63    54    62    65   3.62500 -1.0 2.0
   63    54    62    66   3.62500 -1.0 2.0
   55    50    54    62   3.62500 -1.0 2.0
   55    50    54    63   3.62500 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   42    57    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   51    53    49    46   4.00000 -1.0 2.0
   57    52    51    49   1.10000 -1.0 2.0
   51    58    57    38   1.10000 -1.0 2.0
   71    94    64    59   4.00000 -1.0 2.0
   79    72    71    64   1.10000 -1.0 2.0
   86    80    79    71   1.10000 -1.0 2.0
   92    87    86    79   1.10000 -1.0 2.0
   94    93    92    86   1.10000 -1.0 2.0
   92    95    94    64   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   50    73    48    44   4.00000 -1.0 2.0
   54    55    50    48   4.00000 -1.0 2.0
   62    63    54    50   4.00000 -1.0 2.0
   65    66    62    54   4.00000 -1.0 2.0
   73    74    65    62   4.00000 -1.0 2.0
   65    81    73    48   4.00000 -1.0 2.0
END
