* LIGAND DATABASE FILE (OPLS2005)
*
001      96   103    191    341     583
    1     0 S   NP   _N1_     1    31.07320    99.85511   -26.12468
    2     1 S   H    _HN1     2     1.02758    72.77855  -179.00633
    3     1 S   H    _H1_     3     1.03479   165.27217   -85.59532
    4     1 S   H    _H2_     4     1.02852    58.82188   -55.46132
    5     1 S   CT   _CA1     5     1.50049    81.21300    65.61311
    6     5 S   HC   _HA1     6     1.09553   104.89778   127.60298
    7     5 S   CO3  _C1_     7     1.53662   113.21138     6.98960
    8     7 S   O2Z  _O11     8     1.26391   115.08691   -35.29659
    9     7 S   O2Z  _O12     9     1.26242   115.00743   143.98258
   10     5 S   CT   _CB1    10     1.53042   107.47005  -114.02387
   11    10 S   HC   HB11    11     1.09578   109.46733   -40.65653
   12    10 S   HC   HB12    12     1.09834   110.36816    74.93762
   13    10 S   CT   _CG1    13     1.53260   112.94326  -163.35943
   14    13 S   HC   HG11    14     1.09558   110.82013   -98.08222
   15    13 S   HC   HG12    15     1.09602   111.68742    21.13138
   16    13 S   C    _CD1    16     1.51536   109.43967   141.99955
   17    16 S   O    _OE1    17     1.22806   121.79322    85.21033
   18    16 S   N    _N2_    18     1.38569   112.53531   -91.42876
   19    18 S   H    _HN2    19     1.01555   119.23982    -4.19363
   20    18 S   CT1  _CA2    20     1.46161   123.51874   174.05347
   21    20 S   HC   _HA2    21     1.09720   109.21918    -6.15211
   22    20 S   C    _C2_    22     1.53847   109.29934  -121.92316
   23    22 S   O    _O2_    23     1.23103   121.98956  -159.00834
   24    20 S   CT   _CB2    32     1.53500   111.68562   116.11021
   25    24 S   HC   HB21    33     1.09515   109.54964    56.99071
   26    24 S   HC   HB22    34     1.09415   109.53567   175.64418
   27    22 S   N    _N3_    24     1.38303   114.21828    27.50971
   28    27 S   H    _HN3    25     1.01441   119.11731    -2.13414
   29    24 S   S    _SG2    35     1.83062   111.50689   -64.83456
   30    27 S   CT   _CA3    26     1.45323   123.36436   178.07878
   31    30 S   HC   HA31    27     1.09552   107.23943   -69.51933
   32    30 S   HC   HA32    28     1.09558   108.18757    46.82869
   33    29 S   CT   _C32    36     1.87391   102.17389   171.80082
   34    33 S   OM   _O38    37     1.32862   106.16068   -68.65582
   35    30 S   CO3  _C3_    29     1.53013   114.41003   168.94050
   36    35 S   O2Z  _O31    30     1.26424   116.34039    -4.73987
   37    35 S   O2Z  _O32    31     1.26403   114.44830   175.37352
   38    33 S   CM   _C31    38     1.58238   110.97853   174.32287
   39    33 S   CT   _C19    89     1.58215   112.96395    48.25212
   40    39 S   HC   _H6_    90     1.09743   108.95809   -63.13455
   41    38 S   CMA  _C30    39     1.38371   124.06786    52.31571
   42    41 S   OM   _O39    40     1.27002   127.42673     4.43615
   43    41 S   CA   _C29    41     1.52337   115.58790  -175.70719
   44    43 S   CA   _C24    42     1.39659   120.51932   -26.83205
   45    44 S   CA   _C25    43     1.40353   123.10349  -174.78797
   46    45 S   HA   _H16    44     1.08762   120.23816  -179.37505
   47    44 S   CO4  _C23    55     1.46251   117.67927     8.92174
   48    47 S   O    _O37    56     1.22572   119.09343  -150.47900
   49    45 S   CA   _C26    45     1.39449   120.01576    -0.85318
   50    38 S   CT   _C22    57     1.55743   114.13747  -126.21577
   51    49 S   CA   _C27    46     1.39528   118.57660    -1.44483
   52    51 S   HA   _H17    47     1.08771   120.06910  -178.18749
   53    49 S   CT   _C33    51     1.49803   120.68210  -178.02702
   54    53 S   HC   _H19    52     1.09434   110.03085    88.09542
   55    53 S   HC   _H20    53     1.09511   110.91802  -151.40382
   56    53 S   HC   _H21    54     1.09512   110.90164   -32.40038
   57    50 S   CT   _C14    58     1.57405   111.11160    92.65293
   58    57 S   HC   _H3_    59     1.09507   113.35120    96.23312
   59    50 S   CT   _C21    85     1.57926   117.38543   -26.09621
   60    59 S   HC   _H8_    86     1.09529   114.52638  -134.37750
   61    43 S   CA   _C28    48     1.41367   123.90742   156.42604
   62    57 S   CO4  _C13    60     1.52735   112.92992   -28.53243
   63    62 S   O    _O35    61     1.23081   121.24177   106.05742
   64    59 S   CT   _C20    87     1.50502   115.00026    -4.39267
   65    64 S   HC   _H7_    88     1.09284   111.63253   -66.94516
   66    57 S   CT   _C15    93     1.52367   105.01487  -142.73840
   67    66 S   HC   _H4_    94     1.09227   114.28657   162.45851
   68    61 S   OH   _O40    49     1.37379   122.77563    -5.07505
   69    68 S   HO   _H18    50     0.97620   107.09544     5.52733
   70    62 S   CT   _C12    62     1.54060   116.70242   -76.98489
   71    70 S   HC   _H15    63     1.09065   109.46880   147.27000
   72    64 S   OH   _O41    91     1.42316   110.47241   174.46774
   73    72 S   HO   _H22    92     0.97273   107.03410  -166.78243
   74    66 S   OH   _O42    95     1.42052   111.63352   -75.88194
   75    74 S   HO   _H23    96     0.97242   107.61998   -61.29352
   76    70 S   CO4  _C11    64     1.53124   108.98454  -101.39482
   77    76 S   O    _O34    65     1.23029   121.04695   -39.17491
   78    76 S   CA   _C8_    66     1.48001   120.06811   141.84654
   79    78 S   CA   _C7_    67     1.39106   119.80128     5.79271
   80    79 S   CA   _C6_    68     1.40394   120.64958   178.50826
   81    80 S   HA   _H12    69     1.08843   120.26231  -179.51989
   82    79 S   CO4  _C18    80     1.47317   120.76441    -0.93104
   83    82 S   O    _O36    81     1.22803   117.83957   154.44848
   84    80 S   CA   _C5_    70     1.39841   120.59399     1.16130
   85    70 S   CT   _C17    82     1.54749   110.26159    26.71425
   86    84 S   CA   _C10    71     1.39648   118.88126    -1.46567
   87    86 S   HA   _H13    72     1.08790   120.03862  -178.85312
   88    84 S   CT   _C4_    76     1.49893   120.51689  -178.79569
   89    88 S   HC   _H9_    77     1.09432   110.00161    87.78568
   90    88 S   HC   _H10    78     1.09511   110.94604  -151.73060
   91    88 S   HC   _H11    79     1.09511   110.89801   -32.72014
   92    85 S   CT   _C16    83     1.57978   110.51228   -46.55155
   93    92 S   HC   _H5_    84     1.09642   113.45204  -126.77141
   94    78 S   CA   _C9_    73     1.40398   121.61630  -175.38514
   95    94 S   OH   _O33    74     1.36984   123.51239     0.97578
   96    95 S   HO   _H14    75     0.97393   108.89391    -2.13056
  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
  18   7   2   1   1  19  20   8  11   4  12  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    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    41    50    85    64    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    43    47    50    57    70    82    85    92    59    64    65    39    40    72  
   38    41    50    85    64    39    40  
   36    37  
   37  
    0  
   41    42    43    44    61    47    48    50    57    58    62    85    92    59    60    64    39    40    66  
   40    72    73    66    41    50    59    60    62    64    65    70    71    76    79    82    83    85    92    93  
   72    59    64    65    70    82    85    92  
   42    43    44    45    51    61    68    47    50    57    59  
   43    44    61    50  
   44    45    46    49    51    52    61    68    69    47    48    50  
   45    46    49    51    61    68    53    47    48    50    57    59  
   46    49    51    52    61    53    54    55    56    47    48    50  
   49    51    53    47  
   48    50    57    58    62    92    59    60    64    66    49    61  
   50    57    59  
   51    52    61    68    53    54    55    56  
   57    58    62    63    70    85    92    93    59    60    64    65    72    66    67    74  
   52    61    68    69    53    54    55    56  
   61    68    53  
   54    55    56    61  
   55    56  
   56  
    0  
   58    62    63    70    71    76    85    92    93    59    60    64    66    67    74    75  
   62    63    70    92    59    66    67    74  
   60    64    65    72    73    66    67    74    62    70    82    85    92    93  
   64    65    72    66    85    92    93  
   68    69  
   63    70    71    76    77    78    82    85    92    66    67    74  
   70    71    76    85    66  
   65    72    73    66    70    82    85    92    93  
   72    73    85    92  
   67    74    75    70    82    85    92    93  
   74    75    85    92    93  
   69  
    0  
   71    76    77    78    79    94    82    83    85    92    93  
   76    77    78    82    85    92  
   73    85    92  
    0  
   75    85    92    93  
   92  
   77    78    79    80    86    94    95    82    85    92  
   78    79    94    85  
   79    80    81    84    86    87    94    95    96    82    83    85  
   80    81    84    86    94    95    88    82    83    85    92  
   81    84    86    87    94    88    89    90    91    82    83    85  
   84    86    88    82  
   83    85    92    93    84    94  
   85    92  
   86    87    94    95    88    89    90    91  
   92    93  
   87    94    95    96    88    89    90    91  
   94    95    88  
   89    90    91    94  
   90    91  
   91  
    0  
   93  
    0  
   95    96  
   96  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   85   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   95   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   96   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    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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    50   317.000  1.510
   41    42   745.000  1.250
   41    43   320.000  1.460
   43    44   469.000  1.400
   43    61   469.000  1.400
   44    45   469.000  1.400
   44    47   310.000  1.470
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    51   469.000  1.400
   49    53   317.000  1.510
   51    52   367.000  1.080
   51    61   469.000  1.400
   61    68   450.000  1.364
   68    69   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   47    48   570.000  1.229
   47    50   317.000  1.522
   50    57   268.000  1.529
   50    59   268.000  1.529
   57    58   340.000  1.090
   57    62   317.000  1.522
   57    66   268.000  1.529
   62    63   570.000  1.229
   62    70   317.000  1.522
   70    71   340.000  1.090
   70    76   317.000  1.522
   70    85   268.000  1.529
   76    77   570.000  1.229
   76    78   310.000  1.470
   78    79   469.000  1.400
   78    94   469.000  1.400
   79    80   469.000  1.400
   79    82   310.000  1.470
   80    81   367.000  1.080
   80    84   469.000  1.400
   84    86   469.000  1.400
   84    88   317.000  1.510
   86    87   367.000  1.080
   86    94   469.000  1.400
   94    95   450.000  1.364
   95    96   553.000  0.945
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   82    83   570.000  1.229
   82    85   317.000  1.522
   85    92   268.000  1.529
   85    39   268.000  1.529
   92    93   340.000  1.090
   92    59   268.000  1.529
   92    66   268.000  1.529
   59    60   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    39   268.000  1.529
   64    72   320.000  1.410
   39    40   340.000  1.090
   72    73   553.000  0.945
   66    67   340.000  1.090
   66    74   320.000  1.410
   74    75   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    50    65.00000  117.92700
   33    39    85    58.35000  112.70000
   33    39    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    43    60.00000  123.20500
   38    50    47    70.00000  109.06800
   38    50    57    70.00000  112.02700
   38    50    59    70.00000  112.02700
   41    43    44    60.00000  120.93500
   41    43    61    60.00000  120.93500
   43    41    42    85.00000  114.86500
   43    44    45    63.00000  120.00000
   43    44    47    60.00000  119.52600
   43    61    51    63.00000  120.00000
   43    61    68    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    75.00000  123.78400
   44    47    50    65.00000  115.47100
   45    49    51    63.00000  120.00000
   45    49    53    70.00000  120.00000
   49    45    46    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    61    63.00000  120.00000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   51    61    68    70.00000  120.00000
   61    43    44    63.00000  120.00000
   61    51    52    35.00000  120.00000
   61    68    69    35.00000  113.00000
   53    49    51    70.00000  120.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   47    44    45    60.00000  119.52600
   47    50    57    63.00000  111.10000
   47    50    59    63.00000  111.10000
   50    38    41    70.00000  124.00000
   50    47    48    80.00000  120.40000
   50    57    58    37.50000  110.70000
   50    57    62    63.00000  111.10000
   50    57    66    58.35000  112.70000
   50    59    92    58.35000  112.70000
   50    59    60    37.50000  110.70000
   50    59    64    58.35000  112.70000
   57    62    63    80.00000  120.40000
   57    62    70    70.00000  116.00000
   57    66    92    58.35000  112.70000
   57    66    67    37.50000  110.70000
   57    66    74    50.00000  109.50000
   62    57    58    35.00000  109.50000
   62    70    71    35.00000  109.50000
   62    70    76    75.00000  107.99600
   62    70    85    63.00000  111.10000
   70    62    63    80.00000  120.40000
   70    76    77    80.00000  120.40000
   70    76    78    65.00000  115.47100
   70    85    82    63.00000  111.10000
   70    85    92    58.35000  112.70000
   70    85    39    58.35000  112.70000
   76    70    71    35.00000  109.50000
   76    78    79    60.00000  119.52600
   76    78    94    60.00000  119.52600
   78    76    77    75.00000  123.78400
   78    79    80    63.00000  120.00000
   78    79    82    60.00000  119.52600
   78    94    86    63.00000  120.00000
   78    94    95    70.00000  120.00000
   79    80    81    35.00000  120.00000
   79    80    84    63.00000  120.00000
   79    82    83    75.00000  123.78400
   79    82    85    65.00000  115.47100
   80    84    86    63.00000  120.00000
   80    84    88    70.00000  120.00000
   84    80    81    35.00000  120.00000
   84    86    87    35.00000  120.00000
   84    86    94    63.00000  120.00000
   84    88    89    35.00000  109.50000
   84    88    90    35.00000  109.50000
   84    88    91    35.00000  109.50000
   86    94    95    70.00000  120.00000
   94    78    79    63.00000  120.00000
   94    86    87    35.00000  120.00000
   94    95    96    35.00000  113.00000
   88    84    86    70.00000  120.00000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   82    79    80    60.00000  119.52600
   82    85    92    63.00000  111.10000
   82    85    39    63.00000  111.10000
   85    70    71    37.50000  110.70000
   85    70    76    63.00000  111.10000
   85    82    83    80.00000  120.40000
   85    92    93    37.50000  110.70000
   85    92    59    58.35000  112.70000
   85    92    66    58.35000  112.70000
   85    39    64    58.35000  112.70000
   85    39    40    37.50000  110.70000
   92    59    60    37.50000  110.70000
   92    59    64    58.35000  112.70000
   92    66    67    37.50000  110.70000
   92    66    74    50.00000  109.50000
   59    50    57    58.35000  112.70000
   59    92    93    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    39    58.35000  112.70000
   59    64    72    50.00000  109.50000
   64    59    60    37.50000  110.70000
   64    39    40    37.50000  110.70000
   64    72    73    55.00000  108.50000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    85    92    58.35000  112.70000
   39    64    65    37.50000  110.70000
   72    64    65    35.00000  109.50000
   72    64    39    50.00000  109.50000
   66    57    58    37.50000  110.70000
   66    57    62    63.00000  111.10000
   66    92    93    37.50000  110.70000
   66    92    59    58.35000  112.70000
   66    74    75    55.00000  108.50000
   74    66    67    35.00000  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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    50   0.30250  1.0 1.0
   29    33    38    50  -0.14950 -1.0 2.0
   29    33    38    50   0.36900  1.0 3.0
   29    33    39    85   0.44750  1.0 1.0
   29    33    39    85  -0.17800 -1.0 2.0
   29    33    39    85   0.20200  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
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   65    64    39    40   0.15000  1.0 3.0
   65    64    72    73   0.19450  1.0 3.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33   -38    50   0.46850  1.0 1.0
   39    33   -38    50   0.08550 -1.0 2.0
   39    33   -38    50   0.09800  1.0 3.0
   39    85    92    93   0.15000  1.0 3.0
   39    85   -92    59   0.56750  1.0 1.0
   39    85   -92    59  -0.07550 -1.0 2.0
   39    85   -92    59   0.20000  1.0 3.0
   39    85    92    66   0.56750  1.0 1.0
   39    85    92    66  -0.07550 -1.0 2.0
   39    85    92    66   0.20000  1.0 3.0
   39    64    72    73  -0.11600  1.0 1.0
   39    64    72    73  -0.09450 -1.0 2.0
   39    64    72    73   0.21250  1.0 3.0
   72    64    39    33   0.86500  1.0 1.0
   72    64    39    33  -0.17500 -1.0 2.0
   72    64    39    33   0.20800  1.0 3.0
   72    64    39    85   0.86500  1.0 1.0
   72    64    39    85  -0.17500 -1.0 2.0
   72    64    39    85   0.20800  1.0 3.0
   72    64    39    40   0.23400  1.0 3.0
   66    57    62    63   0.30150 -1.0 2.0
   66    57   -62    70   0.60050  1.0 1.0
   66    57   -62    70   0.05600 -1.0 2.0
   66    57   -62    70   0.26150  1.0 3.0
   66    92   -59    50   0.56750  1.0 1.0
   66    92   -59    50  -0.07550 -1.0 2.0
   66    92   -59    50   0.20000  1.0 3.0
   66    92    59    60   0.15000  1.0 3.0
   66    92    59    64   0.56750  1.0 1.0
   66    92    59    64  -0.07550 -1.0 2.0
   66    92    59    64   0.20000  1.0 3.0
   67    66    74    75   0.19450  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
   36    30    35    37  10.50000 -1.0 2.0
   33    50    38    41   1.10000 -1.0 2.0
   43    42    41    38   1.10000 -1.0 2.0
   44    61    43    41   4.00000 -1.0 2.0
   45    47    44    43   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   51    53    49    45   4.00000 -1.0 2.0
   61    52    51    49   1.10000 -1.0 2.0
   51    68    61    43   4.00000 -1.0 2.0
   44    50    47    48  10.50000 -1.0 2.0
   57    70    62    63  10.50000 -1.0 2.0
   70    78    76    77  10.50000 -1.0 2.0
   79    94    78    76   4.00000 -1.0 2.0
   80    82    79    78   4.00000 -1.0 2.0
   84    81    80    79   1.10000 -1.0 2.0
   86    88    84    80   4.00000 -1.0 2.0
   94    87    86    84   1.10000 -1.0 2.0
   86    95    94    78   4.00000 -1.0 2.0
   79    85    82    83  10.50000 -1.0 2.0
END
