* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    169    257     502
    1     0 S   NP   _N1_     1    28.64742    95.35559   -22.50600
    2     1 S   H    _HN1     2     1.02773    99.59033  -102.66261
    3     1 S   H    _H1_     3     1.02947    81.55208     4.68855
    4     1 S   H    _H2_     4     1.02827    31.63672   148.68363
    5     1 S   CT   _CA1     5     1.50179   139.05856   116.16739
    6     5 S   HC   _HA1     6     1.09562   105.19788    76.98427
    7     5 S   CO3  _C1_     7     1.53848   112.08934   -43.33835
    8     7 S   O2Z  _O11     8     1.26409   114.95786   -45.64703
    9     7 S   O2Z  _O12     9     1.26188   115.03162   133.03558
   10     5 S   CT   _CB1    10     1.53083   107.38263  -164.88408
   11    10 S   HC   HB11    11     1.09836   109.66952   -46.52544
   12    10 S   HC   HB12    12     1.09805   110.39866    70.16871
   13    10 S   CT   _CG1    13     1.53025   112.50885  -167.29072
   14    13 S   HC   HG11    14     1.09573   110.74140   -61.88194
   15    13 S   HC   HG12    15     1.09616   109.56874    57.34823
   16    13 S   C    _CD1    16     1.51861   112.06796   177.82094
   17    16 S   O    _OE1    17     1.22792   123.06764     8.03622
   18    16 S   N    _N2_    18     1.38585   111.97078  -172.57900
   19    18 S   H    _HN2    19     1.02052   118.90084     3.25269
   20    18 S   CT1  _CA2    20     1.46175   123.24344   179.94405
   21    20 S   HC   _HA2    21     1.09712   109.26514    -6.18203
   22    20 S   C    _C2_    22     1.53588   109.21016  -122.00975
   23    22 S   O    _O2_    23     1.23101   121.89800  -153.19477
   24    20 S   CT   _CB2    32     1.53161   111.73766   115.77296
   25    24 S   HC   HB21    33     1.09105   109.78136    58.41286
   26    24 S   HC   HB22    34     1.09521   110.85521   176.48331
   27    22 S   N    _N3_    24     1.38368   113.88212    34.31210
   28    27 S   H    _HN3    25     1.01503   118.89091    -2.65365
   29    24 S   S    _SG2    35     1.82049   112.96775   -62.92957
   30    27 S   CT   _CA3    26     1.45400   123.48385   175.18757
   31    30 S   HC   HA31    27     1.09530   109.15196    26.08246
   32    30 S   HC   HA32    28     1.09498   107.14991   143.01214
   33    29 S   OS   _O35    36     1.66906    98.82237   148.86625
   34    30 S   CO3  _C3_    29     1.52920   113.13739   -97.36553
   35    34 S   O2Z  _O31    30     1.26415   115.45299   -45.69968
   36    34 S   O2Z  _O32    31     1.26378   115.00732   135.24104
   37    33 S   CT   _C15    37     1.42965   115.55039    89.53276
   38    37 S   HC   _H6_    38     1.09712   110.62074   -40.76760
   39    37 S   CT   _C14    39     1.53953   110.73309    83.45957
   40    39 S   HC   _H21    40     1.09721   112.33918   -31.53747
   41    39 S   HC   _H22    41     1.09876   108.53849  -149.15396
   42    39 S   CT   _C13    42     1.55623   107.21393    94.52568
   43    42 S   OM   _O36    43     1.32143   109.12833  -120.58431
   44    42 S   HC   _H5_    44     1.10109   105.65471   109.48374
   45    42 S   CT   _C12    45     1.55751   104.37426    -3.77060
   46    45 S   HC   _H4_    46     1.10225   111.01005   -86.60514
   47    37 S   CT   _C16    47     1.54031   109.80140  -162.95770
   48    47 S   HC   _H7_    48     1.10084   108.19724   167.93442
   49    45 S   CM   _C11    68     1.51022   112.66037   150.65841
   50    49 S   HC   _H20    69     1.08738   117.01987   -60.02546
   51    47 S   CT   _C17    49     1.53947   116.06935    45.66790
   52    51 S   HC   _H23    50     1.09614   109.70094   -62.36827
   53    51 S   HC   _H24    51     1.09618   108.67047  -179.20821
   54    49 S   CM   _C10    70     1.34178   123.53327   120.15435
   55    54 S   HC   _H19    71     1.08754   119.35068    -0.65760
   56    51 S   CM   _C18    52     1.50255   113.14690    61.59924
   57    56 S   HC   _H25    53     1.08822   116.87042    24.21230
   58    54 S   CT   _C9_    72     1.50416   123.72685   179.46186
   59    58 S   HC   _H3_    73     1.09793   111.60111     0.79721
   60    56 S   CM   _C19    54     1.34226   125.81907  -155.64300
   61    60 S   HC   _H26    55     1.08872   117.52936   178.62826
   62    58 S   CT   _C8_    74     1.53631   112.02538  -121.18912
   63    62 S   HC   _H17    75     1.09815   108.53942  -173.80147
   64    62 S   HC   _H18    76     1.09845   109.84319   -59.11356
   65    58 S   OS   _O37    90     1.43454   108.35561   120.87136
   66    60 S   CT   _C20    56     1.50291   126.92355    -3.14323
   67    66 S   HC   _H27    57     1.09698   107.89439  -135.35291
   68    66 S   HC   _H28    58     1.09588   111.37076   -19.30682
   69    62 S   CT   _C7_    77     1.53086   113.36710    64.24851
   70    69 S   HC   _H15    78     1.09560   109.99841   -62.13178
   71    69 S   HC   _H16    79     1.09668   109.57731    55.57646
   72    65 S   OH   _O38    91     1.45752   106.12569   -83.69867
   73    72 S   HO   _H33    92     0.97345    96.02362    97.08701
   74    66 S   CT   _C21    59     1.52804   111.41799   103.82511
   75    74 S   HC   _H29    60     1.09766   110.10810    50.17903
   76    74 S   HC   _H30    61     1.09644   109.08740   -67.02044
   77    69 S   CT   _C6_    80     1.52980   111.37059   176.96720
   78    77 S   HC   _H13    81     1.09677   109.61417   -59.51249
   79    77 S   HC   _H14    82     1.09684   109.57381    57.82226
   80    74 S   CT   _C22    62     1.52441   112.03970   172.28034
   81    80 S   HC   _H31    63     1.09680   109.69061    58.75791
   82    80 S   HC   _H32    64     1.09692   109.54055   -58.96127
   83    77 S   CT   _C5_    83     1.52871   111.22608   179.09431
   84    83 S   HC   _H11    84     1.09638   109.87010   -58.72720
   85    83 S   HC   _H12    85     1.09622   109.85941    58.98432
   86    80 S   CO3  _C23    65     1.53295   114.28184   179.82868
   87    86 S   O2Z  _O34    66     1.26495   114.05871   174.04004
   88    86 S   O2Z  _O33    67     1.26208   116.63616    -6.06766
   89    83 S   CT   _C4_    86     1.52025   111.49986  -179.85598
   90    89 S   HC   _H8_    87     1.09468   111.00205   -60.25087
   91    89 S   HC   _H9_    88     1.09469   110.99798    60.27036
   92    89 S   HC   _H10    89     1.09449   110.25964  -179.98022
  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  11   6   8   4  11   6   5
   3   9   5   4   9   5   4   1   1   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    66  
   53    56    57    60  
   56    57    60  
   55    58    59    62    63    64    69    65    72  
   58    59    62    65  
   57    60    61    66    67    68    74  
   60    61    66  
   59    62    63    64    69    70    71    77    65    72    73  
   62    63    64    69    65    72  
   61    66    67    68    74    75    76    80  
   66    67    68    74  
   63    64    69    70    71    77    78    79    83    65    72  
   64    69    70    71    77    65  
   69    70    71    77    65  
   72    73    69  
   67    68    74    75    76    80    81    82    86  
   68    74    75    76    80  
   74    75    76    80  
   70    71    77    78    79    83    84    85    89  
   71    77    78    79    83  
   77    78    79    83  
   73  
    0  
   75    76    80    81    82    86    87    88  
   76    80    81    82    86  
   80    81    82    86  
   78    79    83    84    85    89    90    91    92  
   79    83    84    85    89  
   83    84    85    89  
   81    82    86    87    88  
   82    86    87    88  
   86    87    88  
   84    85    89    90    91    92  
   85    89    90    91    92  
   89    90    91    92  
   87    88  
   88  
    0  
   90    91    92  
   91    92  
   92  
    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   0.140000   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   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.418000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    66   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   317.000  1.522
   86    87   656.000  1.250
   86    88   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    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   65    72   295.000  1.451
   72    73   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    66    70.00000  124.00000
   60    56    57    35.00000  120.00000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    74    70.00000  112.02700
   66    60    61    35.00000  117.00000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    80    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    86    70.00000  109.69300
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    86    87    70.00000  117.00000
   80    86    88    70.00000  117.00000
   82    80    81    33.00000  107.80000
   86    80    81    35.00000  109.50000
   86    80    82    35.00000  109.50000
   88    86    87    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    85.00000  110.90400
   58    54    55    35.00000  117.00000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    69    58.35000  112.70000
   58    65    72   125.00000  106.88800
   62    58    59    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    77    58.35000  112.70000
   64    62    63    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    64    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    83    58.35000  112.70000
   71    69    70    33.00000  107.80000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    89    58.35000  112.70000
   79    77    78    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   83    89    90    37.50000  110.70000
   83    89    91    37.50000  110.70000
   83    89    92    37.50000  110.70000
   85    83    84    33.00000  107.80000
   89    83    84    37.50000  110.70000
   89    83    85    37.50000  110.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   65    58    59    35.00000  109.50000
   65    58    62    50.00000  109.50000
   65    72    73    90.00000  100.86400
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    66   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    66    67   0.00000  1.0 1.0
   56    60    66    68   0.00000  1.0 1.0
   56    60    66    74   0.09850  1.0 1.0
   56    60    66    74   0.15250 -1.0 2.0
   56    60    66    74  -0.50650  1.0 3.0
   57    56    60    61   7.00000 -1.0 2.0
   57    56    60    66   7.00000 -1.0 2.0
   60    66    74    75   0.15000  1.0 3.0
   60    66    74    76   0.15000  1.0 3.0
   60    66    74    80   0.34400  1.0 1.0
   60    66    74    80   0.09450 -1.0 2.0
   60    66    74    80   0.11100  1.0 3.0
   61    60    66    67   0.33100  1.0 3.0
   61    60    66    68   0.33100  1.0 3.0
   61    60    66    74   0.00000  1.0 1.0
   66    74    80    81   0.15000  1.0 3.0
   66    74    80    82   0.15000  1.0 3.0
   66    74    80    86  -1.63150  1.0 1.0
   66    74    80    86  -0.43550 -1.0 2.0
   66    74    80    86   0.24500  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    80   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    80   0.15000  1.0 3.0
   74    80    86    87   0.41150 -1.0 2.0
   74    80    86    88   0.41150 -1.0 2.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    86  -0.11250  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    86  -0.11250  1.0 3.0
   81    80    86    87   0.00000  1.0 1.0
   81    80    86    88   0.00000  1.0 1.0
   82    80    86    87   0.00000  1.0 1.0
   82    80    86    88   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   0.39000  1.0 1.0
   49    54    58    65  -0.05800 -1.0 2.0
   49    54    58    65  -0.55150  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    69   0.34400  1.0 1.0
   54    58    62    69   0.09450 -1.0 2.0
   54    58    62    69   0.11100  1.0 3.0
   54    58    65    72   0.37500  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    69    70   0.15000  1.0 3.0
   58    62    69    71   0.15000  1.0 3.0
   58    62    69    77   0.56750  1.0 1.0
   58    62    69    77  -0.07550 -1.0 2.0
   58    62    69    77   0.20000  1.0 3.0
   58    65    72    73  -2.50000 -1.0 2.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    69   0.15000  1.0 3.0
   59    58    65    72   0.37500  1.0 3.0
   62    58    65    72   0.37500  1.0 3.0
   62    69    77    78   0.15000  1.0 3.0
   62    69    77    79   0.15000  1.0 3.0
   62    69    77    83   0.56750  1.0 1.0
   62    69    77    83  -0.07550 -1.0 2.0
   62    69    77    83   0.20000  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    77   0.15000  1.0 3.0
   64    62    69    70   0.15000  1.0 3.0
   64    62    69    71   0.15000  1.0 3.0
   64    62    69    77   0.15000  1.0 3.0
   69    77    83    84   0.15000  1.0 3.0
   69    77    83    85   0.15000  1.0 3.0
   69    77    83    89   0.56750  1.0 1.0
   69    77    83    89  -0.07550 -1.0 2.0
   69    77    83    89   0.20000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    83   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    79   0.15000  1.0 3.0
   71    69    77    83   0.15000  1.0 3.0
   77    83    89    90   0.15000  1.0 3.0
   77    83    89    91   0.15000  1.0 3.0
   77    83    89    92   0.15000  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    89   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   79    77    83    89   0.15000  1.0 3.0
   84    83    89    90   0.15000  1.0 3.0
   84    83    89    91   0.15000  1.0 3.0
   84    83    89    92   0.15000  1.0 3.0
   85    83    89    90   0.15000  1.0 3.0
   85    83    89    91   0.15000  1.0 3.0
   85    83    89    92   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    69   0.62750  1.0 1.0
   65    58    62    69  -0.30950 -1.0 2.0
   65    58    62    69   0.27300  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
   66    61    60    56  15.00000 -1.0 2.0
   87    80    86    88  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
