* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    168    256     499
    1     0 S   NP   _N1_     1    28.65158    95.28533   -22.59052
    2     1 S   H    _HN1     2     1.02773    99.84286  -102.83529
    3     1 S   H    _H1_     3     1.02948    81.97381     4.54842
    4     1 S   H    _H2_     4     1.02827    31.06281   148.71890
    5     1 S   CT   _CA1     5     1.50180   138.53425   116.36285
    6     5 S   HC   _HA1     6     1.09562   105.19729    76.60447
    7     5 S   CO3  _C1_     7     1.53847   112.09206   -43.71748
    8     7 S   O2Z  _O11     8     1.26409   114.95739   -45.55966
    9     7 S   O2Z  _O12     9     1.26188   115.03183   133.12479
   10     5 S   CT   _CB1    10     1.53082   107.38195  -165.26432
   11    10 S   HC   HB11    11     1.09836   109.66663   -46.53112
   12    10 S   HC   HB12    12     1.09805   110.39811    70.16294
   13    10 S   CT   _CG1    13     1.53024   112.51110  -167.29842
   14    13 S   HC   HG11    14     1.09573   110.74115   -61.91591
   15    13 S   HC   HG12    15     1.09617   109.56940    57.31588
   16    13 S   C    _CD1    16     1.51860   112.06817   177.78336
   17    16 S   O    _OE1    17     1.22792   123.06810     7.99112
   18    16 S   N    _N2_    18     1.38584   111.96983  -172.61573
   19    18 S   H    _HN2    19     1.02051   118.90013     3.23803
   20    18 S   CT1  _CA2    20     1.46175   123.24299   179.92338
   21    20 S   HC   _HA2    21     1.09712   109.26534    -6.13750
   22    20 S   C    _C2_    22     1.53587   109.21148  -121.96190
   23    22 S   O    _O2_    23     1.23101   121.89817  -153.18044
   24    20 S   CT   _CB2    32     1.53159   111.73593   115.81656
   25    24 S   HC   HB21    33     1.09105   109.78346    58.37081
   26    24 S   HC   HB22    34     1.09521   110.85501   176.44449
   27    22 S   N    _N3_    24     1.38368   113.88121    34.33240
   28    27 S   H    _HN3    25     1.01503   118.89072    -2.66800
   29    24 S   S    _SG2    35     1.82050   112.96641   -62.97375
   30    27 S   CT   _CA3    26     1.45400   123.48529   175.17403
   31    30 S   HC   HA31    27     1.09530   109.15406    26.04760
   32    30 S   HC   HA32    28     1.09497   107.14964   142.97713
   33    29 S   OS   _O35    36     1.66906    98.82362   148.91937
   34    30 S   CO3  _C3_    29     1.52920   113.13484   -97.40291
   35    34 S   O2Z  _O31    30     1.26415   115.45176   -45.74314
   36    34 S   O2Z  _O32    31     1.26378   115.00851   135.19680
   37    33 S   CT   _C15    37     1.42959   115.55249    89.42311
   38    37 S   HC   _H6_    38     1.09711   110.62485   -40.79266
   39    37 S   CT   _C14    39     1.53921   110.76409    83.45082
   40    39 S   HC   _H21    40     1.09720   112.36540   -31.97095
   41    39 S   HC   _H22    41     1.09879   108.51256  -149.58182
   42    39 S   CT   _C13    42     1.55630   107.20927    94.12427
   43    42 S   OM   _O36    43     1.32141   109.08483  -120.08414
   44    42 S   HC   _H5_    44     1.10105   105.65046   110.01560
   45    42 S   CT   _C12    45     1.55793   104.41727    -3.27716
   46    45 S   HC   _H4_    46     1.10223   111.01775   -87.02634
   47    37 S   CT   _C16    47     1.54021   109.81117  -163.00068
   48    47 S   HC   _H7_    48     1.10084   108.19744   168.06483
   49    45 S   CM   _C11    68     1.51064   112.68656   150.22763
   50    49 S   HC   _H20    69     1.08738   116.94807   -59.59742
   51    47 S   CT   _C17    49     1.53947   116.03663    45.82380
   52    51 S   HC   _H23    50     1.09613   109.70131   -62.42320
   53    51 S   HC   _H24    51     1.09608   108.66497  -179.26725
   54    49 S   CM   _C10    70     1.34190   123.59883   120.85859
   55    54 S   HC   _H19    71     1.08757   119.34938    -0.72172
   56    51 S   CM   _C18    52     1.50258   113.15422    61.54785
   57    56 S   HC   _H25    53     1.08821   116.86993    24.22947
   58    54 S   CT   _C9_    72     1.50170   123.74916   179.10869
   59    58 S   HC   _H3_    73     1.09634   111.28337     3.02763
   60    56 S   CM   _C19    54     1.34226   125.81883  -155.62592
   61    60 S   HC   _H26    55     1.08872   117.53022   178.62570
   62    58 S   CT   _C8_    74     1.53382   112.76922  -120.22602
   63    62 S   HC   _H17    75     1.09810   108.60393  -174.07874
   64    62 S   HC   _H18    76     1.09840   109.79442   -59.38689
   65    58 S   OH   _O37    90     1.42789   108.36491   120.64428
   66    65 S   HO   _H33    91     0.97300   107.40502   -54.43055
   67    60 S   CT   _C20    56     1.50291   126.92172    -3.15536
   68    67 S   HC   _H27    57     1.09698   107.89254  -135.37068
   69    67 S   HC   _H28    58     1.09587   111.36895   -19.32779
   70    62 S   CT   _C7_    77     1.53057   113.33057    63.89997
   71    70 S   HC   _H15    78     1.09555   109.97009   -62.17692
   72    70 S   HC   _H16    79     1.09668   109.58154    55.52836
   73    67 S   CT   _C21    59     1.52804   111.42362   103.80719
   74    73 S   HC   _H29    60     1.09765   110.10960    50.17961
   75    73 S   HC   _H30    61     1.09644   109.08724   -67.02135
   76    70 S   CT   _C6_    80     1.52980   111.37863   176.93458
   77    76 S   HC   _H13    81     1.09677   109.61447   -59.51930
   78    76 S   HC   _H14    82     1.09684   109.57448    57.81594
   79    73 S   CT   _C22    62     1.52441   112.03836   172.28228
   80    79 S   HC   _H31    63     1.09680   109.68863    58.73148
   81    79 S   HC   _H32    64     1.09691   109.54086   -58.98649
   82    76 S   CT   _C5_    83     1.52870   111.22510   179.08871
   83    82 S   HC   _H11    84     1.09637   109.86953   -58.73155
   84    82 S   HC   _H12    85     1.09622   109.85967    58.97932
   85    79 S   CO3  _C23    65     1.53294   114.28719   179.80021
   86    85 S   O2Z  _O34    66     1.26495   114.05823   174.12584
   87    85 S   O2Z  _O33    67     1.26209   116.63592    -5.98170
   88    82 S   CT   _C4_    86     1.52025   111.50042  -179.86294
   89    88 S   HC   _H8_    87     1.09468   111.00214   -60.25136
   90    88 S   HC   _H9_    88     1.09468   110.99835    60.27027
   91    88 S   HC   _H10    89     1.09449   110.25956  -180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  10   2   1   1  16   8  11   6   5  10   5   4  12   6  10   5
   8   3   7   4   3   9   4   7   3  10   6   8   4  11   6   5
   2   1   9   5   4   9   5   4   8   5   4   9   5   4   5   4
   3   6   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    45    47    48    51  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48    51    52    53    56    49  
   39    40    41    42    45    47    48    51  
   40    41    42    43    44    45    46    47    48    51    49  
   41    42    43    44    45    47  
   42    43    44    45    47  
   43    44    45    46    47    48    51    49    50    54  
   44    45    46    47    49  
   45    46    47    49  
   46    47    48    51    52    53    56    49    50    54    55    58  
   47    48    51    49    50    54  
   48    51    52    53    56    57    60    49    50    54  
   51    52    53    56    49  
   50    54    55    58    59    62    65    51  
   54    55    58  
   52    53    56    57    60    61    67  
   53    56    57    60  
   56    57    60  
   55    58    59    62    63    64    70    65    66  
   58    59    62    65  
   57    60    61    67    68    69    73  
   60    61    67  
   59    62    63    64    70    71    72    76    65    66  
   62    63    64    70    65    66  
   61    67    68    69    73    74    75    79  
   67    68    69    73  
   63    64    70    71    72    76    77    78    82    65    66  
   64    70    71    72    76    65  
   70    71    72    76    65  
   66    70  
    0  
   68    69    73    74    75    79    80    81    85  
   69    73    74    75    79  
   73    74    75    79  
   71    72    76    77    78    82    83    84    88  
   72    76    77    78    82  
   76    77    78    82  
   74    75    79    80    81    85    86    87  
   75    79    80    81    85  
   79    80    81    85  
   77    78    82    83    84    88    89    90    91  
   78    82    83    84    88  
   82    83    84    88  
   80    81    85    86    87  
   81    85    86    87  
   85    86    87  
   83    84    88    89    90    91  
   84    88    89    90    91  
   88    89    90    91  
   86    87  
   87  
    0  
   89    90    91  
   90    91  
   91  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.180000   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
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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   268.000  1.529
   37    47   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   268.000  1.529
   42    43   570.000  1.307
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    49   317.000  1.510
   47    48   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   317.000  1.510
   56    57   340.000  1.080
   56    60   549.000  1.340
   60    61   340.000  1.080
   60    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   317.000  1.522
   85    86   656.000  1.250
   85    87   656.000  1.250
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    58   317.000  1.510
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   65    66   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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    50.00000  109.50000
   33    37    47    50.00000  109.50000
   37    39    40    37.50000  110.70000
   37    39    41    37.50000  110.70000
   37    39    42    58.35000  112.70000
   37    47    45    58.35000  112.70000
   37    47    48    37.50000  110.70000
   37    47    51    58.35000  112.70000
   39    37    38    37.50000  110.70000
   39    42    43    50.00000  109.50000
   39    42    44    37.50000  110.70000
   39    42    45    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    37.50000  110.70000
   42    39    41    37.50000  110.70000
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    49    70.00000  112.02700
   44    42    43    45.00000  125.66300
   45    42    43    50.00000  109.50000
   45    42    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    51    58.35000  112.70000
   45    49    50    35.00000  117.00000
   45    49    54    70.00000  124.00000
   47    37    38    37.50000  110.70000
   47    37    39    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    56    70.00000  112.02700
   51    47    48    37.50000  110.70000
   51    56    57    35.00000  117.00000
   51    56    60    70.00000  124.00000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   56    60    61    35.00000  120.00000
   56    60    67    70.00000  124.00000
   60    56    57    35.00000  120.00000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    73    70.00000  112.02700
   67    60    61    35.00000  117.00000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    79    58.35000  112.70000
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    85    70.00000  109.69300
   75    73    74    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    85    86    70.00000  117.00000
   79    85    87    70.00000  117.00000
   81    79    80    33.00000  107.80000
   85    79    80    35.00000  109.50000
   85    79    81    35.00000  109.50000
   87    85    86    80.00000  126.00000
   49    45    46    35.00000  109.50000
   49    45    47    70.00000  112.02700
   49    54    55    35.00000  120.00000
   49    54    58    70.00000  124.00000
   54    49    50    35.00000  120.00000
   54    58    59    35.00000  109.50000
   54    58    62    70.00000  112.02700
   54    58    65    90.00000  110.39200
   58    54    55    35.00000  117.00000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    70    58.35000  112.70000
   58    65    66    55.00000  108.50000
   62    58    59    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    76    58.35000  112.70000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    82    58.35000  112.70000
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    88    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    91    37.50000  110.70000
   84    82    83    33.00000  107.80000
   88    82    83    37.50000  110.70000
   88    82    84    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   65    58    59    35.00000  109.50000
   65    58    62    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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    47   0.37500  1.0 3.0
   33    37    39    40   0.23400  1.0 3.0
   33    37    39    41   0.23400  1.0 3.0
   33    37    39    42   0.62750  1.0 1.0
   33    37    39    42  -0.30950 -1.0 2.0
   33    37    39    42   0.27300  1.0 3.0
   33    37    47    45   0.62750  1.0 1.0
   33    37    47    45  -0.30950 -1.0 2.0
   33    37    47    45   0.27300  1.0 3.0
   33    37    47    48   0.23400  1.0 3.0
   33    37    47    51   0.62750  1.0 1.0
   33    37    47    51  -0.30950 -1.0 2.0
   33    37    47    51   0.27300  1.0 3.0
   37    39    42    43   0.62750  1.0 1.0
   37    39    42    43  -0.30950 -1.0 2.0
   37    39    42    43   0.27300  1.0 3.0
   37    39    42    44   0.15000  1.0 3.0
   37    39   -42    45   0.56750  1.0 1.0
   37    39   -42    45  -0.07550 -1.0 2.0
   37    39   -42    45   0.20000  1.0 3.0
   37    47    51    52   0.15000  1.0 3.0
   37    47    51    53   0.15000  1.0 3.0
   37    47    51    56   0.34400  1.0 1.0
   37    47    51    56   0.09450 -1.0 2.0
   37    47    51    56   0.11100  1.0 3.0
   38    37    39    40   0.15000  1.0 3.0
   38    37    39    41   0.15000  1.0 3.0
   38    37    39    42   0.15000  1.0 3.0
   38    37    47    45   0.15000  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    51   0.15000  1.0 3.0
   39    37   -47    45   0.56750  1.0 1.0
   39    37   -47    45  -0.07550 -1.0 2.0
   39    37   -47    45   0.20000  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    51   0.56750  1.0 1.0
   39    37    47    51  -0.07550 -1.0 2.0
   39    37    47    51   0.20000  1.0 3.0
   39    42    45    46   0.15000  1.0 3.0
   39    42   -45    47   0.56750  1.0 1.0
   39    42   -45    47  -0.07550 -1.0 2.0
   39    42   -45    47   0.20000  1.0 3.0
   39    42    45    49   0.34400  1.0 1.0
   39    42    45    49   0.09450 -1.0 2.0
   39    42    45    49   0.11100  1.0 3.0
   40    39    42    43   0.23400  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   41    39    42    43   0.23400  1.0 3.0
   41    39    42    44   0.15000  1.0 3.0
   41    39    42    45   0.15000  1.0 3.0
   42    45   -47    37   0.56750  1.0 1.0
   42    45   -47    37  -0.07550 -1.0 2.0
   42    45   -47    37   0.20000  1.0 3.0
   42    45    47    48   0.15000  1.0 3.0
   42    45    47    51   0.56750  1.0 1.0
   42    45    47    51  -0.07550 -1.0 2.0
   42    45    47    51   0.20000  1.0 3.0
   42    45    49    50   0.00000  1.0 1.0
   42    45    49    54   0.09850  1.0 1.0
   42    45    49    54   0.15250 -1.0 2.0
   42    45    49    54  -0.50650  1.0 3.0
   43    42    45    46   0.23400  1.0 3.0
   43    42    45    47   0.62750  1.0 1.0
   43    42    45    47  -0.30950 -1.0 2.0
   43    42    45    47   0.27300  1.0 3.0
   43    42    45    49   0.61850  1.0 1.0
   43    42    45    49  -0.22750 -1.0 2.0
   43    42    45    49   0.15300  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    49   0.15000  1.0 3.0
   45    47    51    52   0.15000  1.0 3.0
   45    47    51    53   0.15000  1.0 3.0
   45    47    51    56   0.34400  1.0 1.0
   45    47    51    56   0.09450 -1.0 2.0
   45    47    51    56   0.11100  1.0 3.0
   45    49    54    55   7.00000 -1.0 2.0
   45    49    54    58   7.00000 -1.0 2.0
   46    45    47    37   0.15000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    51   0.15000  1.0 3.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    54   0.00000  1.0 1.0
   47    37    39    40   0.15000  1.0 3.0
   47    37    39    41   0.15000  1.0 3.0
   47    37   -39    42   0.56750  1.0 1.0
   47    37   -39    42  -0.07550 -1.0 2.0
   47    37   -39    42   0.20000  1.0 3.0
   47    45    49    50   0.00000  1.0 1.0
   47    45    49    54   0.09850  1.0 1.0
   47    45    49    54   0.15250 -1.0 2.0
   47    45    49    54  -0.50650  1.0 3.0
   47    51    56    57   0.00000  1.0 1.0
   47    51    56    60   0.09850  1.0 1.0
   47    51    56    60   0.15250 -1.0 2.0
   47    51    56    60  -0.50650  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    56   0.15000  1.0 3.0
   51    56    60    61   7.00000 -1.0 2.0
   51    56    60    67   7.00000 -1.0 2.0
   52    51    56    57   0.33100  1.0 3.0
   52    51    56    60   0.00000  1.0 1.0
   53    51    56    57   0.33100  1.0 3.0
   53    51    56    60   0.00000  1.0 1.0
   56    60    67    68   0.00000  1.0 1.0
   56    60    67    69   0.00000  1.0 1.0
   56    60    67    73   0.09850  1.0 1.0
   56    60    67    73   0.15250 -1.0 2.0
   56    60    67    73  -0.50650  1.0 3.0
   57    56    60    61   7.00000 -1.0 2.0
   57    56    60    67   7.00000 -1.0 2.0
   60    67    73    74   0.15000  1.0 3.0
   60    67    73    75   0.15000  1.0 3.0
   60    67    73    79   0.34400  1.0 1.0
   60    67    73    79   0.09450 -1.0 2.0
   60    67    73    79   0.11100  1.0 3.0
   61    60    67    68   0.33100  1.0 3.0
   61    60    67    69   0.33100  1.0 3.0
   61    60    67    73   0.00000  1.0 1.0
   67    73    79    80   0.15000  1.0 3.0
   67    73    79    81   0.15000  1.0 3.0
   67    73    79    85  -1.63150  1.0 1.0
   67    73    79    85  -0.43550 -1.0 2.0
   67    73    79    85   0.24500  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    79   0.15000  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    79   0.15000  1.0 3.0
   73    79    85    86   0.41150 -1.0 2.0
   73    79    85    87   0.41150 -1.0 2.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    85  -0.11250  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    85  -0.11250  1.0 3.0
   80    79    85    86   0.00000  1.0 1.0
   80    79    85    87   0.00000  1.0 1.0
   81    79    85    86   0.00000  1.0 1.0
   81    79    85    87   0.00000  1.0 1.0
   49    45    47    37   0.34400  1.0 1.0
   49    45    47    37   0.09450 -1.0 2.0
   49    45    47    37   0.11100  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    51   0.34400  1.0 1.0
   49    45    47    51   0.09450 -1.0 2.0
   49    45    47    51   0.11100  1.0 3.0
   49    54    58    59   0.00000  1.0 1.0
   49    54    58    62   0.09850  1.0 1.0
   49    54    58    62   0.15250 -1.0 2.0
   49    54    58    62  -0.50650  1.0 3.0
   49    54    58    65   0.67800  1.0 1.0
   49    54    58    65   0.47050 -1.0 2.0
   49    54    58    65  -0.62500  1.0 3.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    58   7.00000 -1.0 2.0
   54    58    62    63   0.15000  1.0 3.0
   54    58    62    64   0.15000  1.0 3.0
   54    58    62    70   0.34400  1.0 1.0
   54    58    62    70   0.09450 -1.0 2.0
   54    58    62    70   0.11100  1.0 3.0
   54    58    65    66  -0.07800  1.0 1.0
   54    58    65    66  -0.21500 -1.0 2.0
   54    58    65    66  -0.03150  1.0 3.0
   55    54    58    59   0.33100  1.0 3.0
   55    54    58    62   0.00000  1.0 1.0
   55    54    58    65   0.00000  1.0 1.0
   58    62    70    71   0.15000  1.0 3.0
   58    62    70    72   0.15000  1.0 3.0
   58    62    70    76   0.56750  1.0 1.0
   58    62    70    76  -0.07550 -1.0 2.0
   58    62    70    76   0.20000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    70   0.15000  1.0 3.0
   59    58    65    66   0.19450  1.0 3.0
   62    58    65    66  -0.11600  1.0 1.0
   62    58    65    66  -0.09450 -1.0 2.0
   62    58    65    66   0.21250  1.0 3.0
   62    70    76    77   0.15000  1.0 3.0
   62    70    76    78   0.15000  1.0 3.0
   62    70    76    82   0.56750  1.0 1.0
   62    70    76    82  -0.07550 -1.0 2.0
   62    70    76    82   0.20000  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    76   0.15000  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    72   0.15000  1.0 3.0
   64    62    70    76   0.15000  1.0 3.0
   70    76    82    83   0.15000  1.0 3.0
   70    76    82    84   0.15000  1.0 3.0
   70    76    82    88   0.56750  1.0 1.0
   70    76    82    88  -0.07550 -1.0 2.0
   70    76    82    88   0.20000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    82   0.15000  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    82   0.15000  1.0 3.0
   76    82    88    89   0.15000  1.0 3.0
   76    82    88    90   0.15000  1.0 3.0
   76    82    88    91   0.15000  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    88   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    88   0.15000  1.0 3.0
   83    82    88    89   0.15000  1.0 3.0
   83    82    88    90   0.15000  1.0 3.0
   83    82    88    91   0.15000  1.0 3.0
   84    82    88    89   0.15000  1.0 3.0
   84    82    88    90   0.15000  1.0 3.0
   84    82    88    91   0.15000  1.0 3.0
   65    58    62    63   0.23400  1.0 3.0
   65    58    62    64   0.23400  1.0 3.0
   65    58    62    70   0.86500  1.0 1.0
   65    58    62    70  -0.17500 -1.0 2.0
   65    58    62    70   0.20800  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
   51    57    56    60  15.00000 -1.0 2.0
   67    61    60    56  15.00000 -1.0 2.0
   86    79    85    87  10.50000 -1.0 2.0
   45    50    49    54  15.00000 -1.0 2.0
   58    55    54    49  15.00000 -1.0 2.0
END
