* LIGAND DATABASE FILE (OPLS2005)
*
001      94    97    168    256     483
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02062    72.45089    65.10374
    3     1 S   H    _H1_     3     1.02127    41.28089  -144.49818
    4     1 S   H    _H2_     4     1.02052   102.90304   -40.75446
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.43907    58.89594
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO   _C14    36     1.84386   100.85194   159.95403
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CT   _C15    37     1.53353   107.96891    80.01094
   38    37 S   HC   _H9_    38     1.09492   112.66130   -61.84502
   39    37 S   HC   _H10    39     1.09785   109.78013    56.18494
   40    37 S   HC   _H11    40     1.09547   112.03888   174.08749
   41    33 S   OH   _O35    41     1.43159   110.91181  -166.02075
   42    41 S   HO   _H12    42     0.97106   106.88715   -56.11266
   43    33 S   OS   _O34    43     1.44202   113.29556   -36.72752
   44    43 S   CA   _C11    44     1.36048   122.15705   -91.92739
   45    44 S   CA   _C10    45     1.39187   120.10129    29.95430
   46    45 S   HA   _H7_    46     1.08704   120.37615     0.01978
   47    45 S   CA   _C9_    47     1.39740   120.03835   179.56976
   48    47 S   HA   _H6_    48     1.08810   118.08123  -179.37913
   49    47 S   CA   _C8_    49     1.40489   120.91417     0.40494
   50    49 S   CA   _C13    50     1.39560   118.15712     0.40926
   51    44 S   CA   _C12    51     1.39154   120.17870  -150.11708
   52    51 S   HA   _H8_    52     1.08687   119.87270    -0.10835
   53    50 S   OS   _O33    53     1.36451   122.66619  -179.01941
   54    53 S   CT   _C5_    54     1.44732   116.93342   -24.09246
   55    54 S   CM   _C6_    55     1.53467   113.37646    34.43701
   56    54 S   CT   _C4_    87     1.54010   106.90408   -88.51085
   57    56 S   HC   _H3_    88     1.08477   109.29817   -55.72432
   58    56 S   HC   _H4_    89     1.08520   109.31390  -175.78927
   59    56 S   HC   _H5_    90     1.08592   109.28343    64.25288
   60    54 S   CT   _C30    91     1.54102   103.27371   156.98314
   61    60 S   HC   _H27    92     1.08419   109.15693    57.16736
   62    60 S   HC   _H28    93     1.08387   109.14832   -62.82339
   63    60 S   HC   _H29    94     1.08492   109.13803   177.13789
   64    55 S   CA   _C23    56     1.48370   116.94157   157.72016
   65    49 S   CM   _C7_    71     1.48040   121.83126  -177.89922
   66    64 S   CA   _C24    57     1.39447   119.98273   -91.05532
   67    66 S   HA   _H20    58     1.08743   120.87533     0.11191
   68    65 S   CA   _C16    72     1.48492   123.29886    10.31500
   69    66 S   CA   _C25    59     1.39497   120.01382  -179.98022
   70    69 S   HA   _H21    60     1.08678   119.66614  -179.91377
   71    68 S   CA   _C17    73     1.39474   119.97204   -89.99649
   72    71 S   HA   _H13    74     1.08758   120.88720    -0.03426
   73    69 S   CA   _C26    61     1.39428   119.98959     0.07662
   74    71 S   CA   _C18    75     1.39469   119.99212   179.97202
   75    74 S   HA   _H14    76     1.08674   119.72217   179.98022
   76    73 S   CA   _C27    62     1.39487   120.02252    -0.04846
   77    76 S   HA   _H22    63     1.08630   120.35927   179.98022
   78    73 S   OS   _O37    66     1.36101   120.03569   179.97202
   79    74 S   CA   _C19    77     1.39483   119.95908    -0.04423
   80    64 S   CA   _C28    64     1.39503   120.01936    89.07589
   81    80 S   HA   _H23    65     1.08747   120.87203    -0.09487
   82    78 S   CT   _C29    67     1.42729   117.04142    -0.03426
   83    82 S   HC   _H24    68     1.09319   109.53130   179.97202
   84    82 S   HC   _H25    69     1.09320   109.50524    59.26429
   85    82 S   HC   _H26    70     1.09250   108.99843   -60.37673
   86    79 S   CA   _C20    78     1.39474   120.04878     0.04423
   87    86 S   HA   _H15    79     1.08639   120.36178  -179.98022
   88    79 S   OS   _O36    82     1.36131   119.96543  -179.96044
   89    68 S   CA   _C21    80     1.39483   119.97915    89.95468
   90    89 S   HA   _H16    81     1.08727   120.89051     0.05234
   91    88 S   CT   _C22    83     1.42729   117.06259  -180.00000
   92    91 S   HC   _H17    84     1.09267   109.50678   179.94405
   93    91 S   HC   _H18    85     1.09268   109.52071    59.20826
   94    91 S   HC   _H19    86     1.09209   109.00542   -60.42679
  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
  10   2   1   1   7   4   3   2   3   1   7   9   8   4   8   3
  11   9   4   1  12  14  19   9   3   2   1   5   2   1   1  11
   9   8   4   9   7   3   8   4   9   7   3   5   3   5   9   1
   1   3   2   1   1   5   3   5   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    41    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    51  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    41    43  
   40    41    43  
   41    43  
   42    43    44  
   43  
   44    45    46    47    50    51    52  
   45    46    47    48    49    50    51    52    53  
   46    47    48    49    50    51    52    65  
   47    48    49    51  
   48    49    50    51    53    55    65    68  
   49    50    65  
   50    51    52    53    54    55    64    65    68    71    89  
   51    52    53    54    55    65    68    56    60  
   52    53    54    65  
   53  
   54    55    64    65    56    57    58    59    60    61    62    63  
   55    64    66    80    65    68    56    57    58    59    60    61    62    63  
   64    66    67    69    76    80    81    65    68    71    89    56    57    58    59    60    61    62    63  
   57    58    59    60    61    62    63    64    65  
   58    59    60  
   59    60  
   60  
   61    62    63    64    65  
   62    63  
   63  
    0  
   66    67    69    70    73    76    77    80    81    65    68  
   68    71    72    74    86    89    90    66    80  
   67    69    70    73    76    80    81    78  
   69    70    73    80  
   71    72    74    75    79    86    87    89    90  
   70    73    76    77    80    78    82  
   73    76    78  
   72    74    75    79    86    89    90    88  
   74    75    79    89  
   76    77    80    81    78    82    83    84    85  
   75    79    86    87    89    88    91  
   79    86    88  
   77    80    81    78    82  
   80    81    78  
   82    83    84    85    80  
   86    87    89    90    88    91    92    93    94  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
   87    89    90    88    91  
   89    90    88  
   91    92    93    94    89  
   90  
    0  
   92    93    94  
   93    94  
   94  
    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   3.5000   0.0660   0.372200   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5500   0.0700   0.085000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0700   0.085000   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   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   222.000  1.810
   33    37   250.000  1.527
   33    41   380.000  1.407
   33    43   320.000  1.380
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   553.000  0.945
   43    44   450.000  1.364
   44    45   469.000  1.400
   44    51   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    65   320.000  1.460
   50    51   469.000  1.400
   50    53   450.000  1.364
   51    52   367.000  1.080
   53    54   320.000  1.410
   54    55   317.000  1.510
   54    56   268.000  1.529
   54    60   268.000  1.529
   55    64   320.000  1.460
   55    65   549.000  1.340
   64    66   469.000  1.400
   64    80   469.000  1.400
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    76   469.000  1.400
   73    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   367.000  1.080
   78    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   65    68   320.000  1.460
   68    71   469.000  1.400
   68    89   469.000  1.400
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    86   469.000  1.400
   79    88   450.000  1.364
   86    87   367.000  1.080
   86    89   469.000  1.400
   89    90   367.000  1.080
   88    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    85.00000  114.68000
   29    33    43    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    39    45.00000  108.72000
   33    37    40    45.00000  108.72000
   33    41    42    70.00000  107.92000
   33    43    44   100.00000  112.36700
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    90.00000  110.19100
   43    33    37    90.00000  108.56700
   43    33    41   110.00000  112.08000
   43    44    45    70.00000  120.00000
   43    44    51    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    51    50    63.00000  120.00000
   44    51    52    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    63.00000  120.00000
   47    49    65    60.00000  120.93500
   49    47    48    35.00000  120.00000
   49    50    51    63.00000  120.00000
   49    50    53    70.00000  120.00000
   49    65    55    60.00000  123.20500
   49    65    68    60.00000  124.00000
   50    51    52    35.00000  120.00000
   50    53    54    75.00000  111.00000
   51    44    45    63.00000  120.00000
   53    50    51    70.00000  120.00000
   53    54    55    85.00000  110.90400
   53    54    56    50.00000  109.50000
   53    54    60    50.00000  109.50000
   54    55    64    60.00000  124.00000
   54    55    65    70.00000  124.00000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   55    64    66    60.00000  118.70000
   55    64    80    60.00000  118.70000
   55    65    68    60.00000  123.66000
   64    66    67    35.00000  120.00000
   64    66    69    63.00000  120.00000
   64    80    76    63.00000  120.00000
   64    80    81    35.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    73    63.00000  120.00000
   69    66    67    35.00000  120.00000
   69    73    76    63.00000  120.00000
   69    73    78    70.00000  120.00000
   73    69    70    35.00000  120.00000
   73    76    77    35.00000  120.00000
   73    76    80    63.00000  120.00000
   73    78    82    75.00000  111.00000
   76    80    81    35.00000  120.00000
   80    64    66    63.00000  120.00000
   80    76    77    35.00000  120.00000
   78    73    76    70.00000  120.00000
   78    82    83    35.00000  109.50000
   78    82    84    35.00000  109.50000
   78    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   65    49    50    60.00000  120.93500
   65    55    64    60.00000  123.66000
   65    68    71    60.00000  118.70000
   65    68    89    60.00000  118.70000
   68    71    72    35.00000  120.00000
   68    71    74    63.00000  120.00000
   68    89    86    63.00000  120.00000
   68    89    90    35.00000  120.00000
   71    74    75    35.00000  120.00000
   71    74    79    63.00000  120.00000
   74    71    72    35.00000  120.00000
   74    79    86    63.00000  120.00000
   74    79    88    70.00000  120.00000
   79    74    75    35.00000  120.00000
   79    86    87    35.00000  120.00000
   79    86    89    63.00000  120.00000
   79    88    91    75.00000  111.00000
   86    89    90    35.00000  120.00000
   89    68    71    63.00000  120.00000
   89    86    87    35.00000  120.00000
   88    79    86    70.00000  120.00000
   88    91    92    35.00000  109.50000
   88    91    93    35.00000  109.50000
   88    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   56    54    55    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    54    55    70.00000  112.02700
   60    54    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   29    33    43    44   0.14700  1.0 1.0
   29    33    43    44  -1.16150 -1.0 2.0
   29    33    43    44   0.48700  1.0 3.0
   33    43    44    45   1.63200 -1.0 2.0
   33    43    44    51   1.63200 -1.0 2.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    33    43    44  -0.32850  1.0 1.0
   37    33    43    44  -0.35800 -1.0 2.0
   37    33    43    44   0.33950  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    39   0.23400  1.0 3.0
   41    33    37    40   0.23400  1.0 3.0
   41    33    43    44  -0.25600  1.0 1.0
   41    33    43    44  -0.40050 -1.0 2.0
   41    33    43    44   0.34700  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    40   0.23400  1.0 3.0
   43    33    41    42  -0.50000  1.0 1.0
   43    33    41    42  -0.73950 -1.0 2.0
   43    33    41    42   0.17150  1.0 3.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    47   3.62500 -1.0 2.0
   43    44    51    50   3.62500 -1.0 2.0
   43    44    51    52   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    49   3.62500 -1.0 2.0
   45    44    51    50   3.62500 -1.0 2.0
   45    44    51    52   3.62500 -1.0 2.0
   45    47   -49    50   3.62500 -1.0 2.0
   45    47    49    65   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49    50    51   3.62500 -1.0 2.0
   47    49    50    53   3.62500 -1.0 2.0
   47    49    65    55   0.15800  1.0 1.0
   47    49    65    55   1.85350 -1.0 2.0
   47    49    65    55  -0.48700  1.0 3.0
   47    49    65    68  -0.01750  1.0 1.0
   47    49    65    68  -0.32000 -1.0 2.0
   47    49    65    68   0.00600  1.0 3.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    65   3.62500 -1.0 2.0
   49    50   -51    44   3.62500 -1.0 2.0
   49    50    51    52   3.62500 -1.0 2.0
   49    50    53    54   1.63200 -1.0 2.0
   49    65    68    71  -0.01750  1.0 1.0
   49    65    68    71  -0.32000 -1.0 2.0
   49    65    68    71   0.00600  1.0 3.0
   49    65    68    89  -0.01750  1.0 1.0
   49    65    68    89  -0.32000 -1.0 2.0
   49    65    68    89   0.00600  1.0 3.0
   50    49    65    55   0.15800  1.0 1.0
   50    49    65    55   1.85350 -1.0 2.0
   50    49    65    55  -0.48700  1.0 3.0
   50    49    65    68  -0.01750  1.0 1.0
   50    49    65    68  -0.32000 -1.0 2.0
   50    49    65    68   0.00600  1.0 3.0
   50    53   -54    55  -0.25600  1.0 1.0
   50    53   -54    55  -0.40050 -1.0 2.0
   50    53   -54    55   0.34700  1.0 3.0
   50    53    54    56  -0.32850  1.0 1.0
   50    53    54    56  -0.35800 -1.0 2.0
   50    53    54    56   0.33950  1.0 3.0
   50    53    54    60  -0.32850  1.0 1.0
   50    53    54    60  -0.35800 -1.0 2.0
   50    53    54    60   0.33950  1.0 3.0
   51    44    45    46   3.62500 -1.0 2.0
   51    44   -45    47   3.62500 -1.0 2.0
   51    50    53    54   1.63200 -1.0 2.0
   53    50    51    44   3.62500 -1.0 2.0
   53    50    51    52   3.62500 -1.0 2.0
   53    54    55    64   0.09700  1.0 1.0
   53    54    55    64   0.15600 -1.0 2.0
   53    54    55    64  -0.50800  1.0 3.0
   53    54    55    65   0.39000  1.0 1.0
   53    54    55    65  -0.05800 -1.0 2.0
   53    54    55    65  -0.55150  1.0 3.0
   53    54    56    57   0.23400  1.0 3.0
   53    54    56    58   0.23400  1.0 3.0
   53    54    56    59   0.23400  1.0 3.0
   53    54    60    61   0.23400  1.0 3.0
   53    54    60    62   0.23400  1.0 3.0
   53    54    60    63   0.23400  1.0 3.0
   54    55    64    66  -0.02500  1.0 1.0
   54    55    64    66  -0.32150 -1.0 2.0
   54    55    64    66  -0.01500  1.0 3.0
   54    55    64    80  -0.02500  1.0 1.0
   54    55    64    80  -0.32150 -1.0 2.0
   54    55    64    80  -0.01500  1.0 3.0
   54    55   -65    49   7.00000 -1.0 2.0
   54    55    65    68   7.00000 -1.0 2.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    59   0.15000  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    64    66    67   3.62500 -1.0 2.0
   55    64    66    69   3.62500 -1.0 2.0
   55    64    80    76   3.62500 -1.0 2.0
   55    64    80    81   3.62500 -1.0 2.0
   55    65    68    71   0.15800  1.0 1.0
   55    65    68    71   1.85350 -1.0 2.0
   55    65    68    71  -0.48700  1.0 3.0
   55    65    68    89   0.15800  1.0 1.0
   55    65    68    89   1.85350 -1.0 2.0
   55    65    68    89  -0.48700  1.0 3.0
   64    55    65    49   7.00000 -1.0 2.0
   64    55    65    68   7.00000 -1.0 2.0
   64    66    69    70   3.62500 -1.0 2.0
   64    66    69    73   3.62500 -1.0 2.0
   66    64    80    76   3.62500 -1.0 2.0
   66    64    80    81   3.62500 -1.0 2.0
   66    69   -73    76   3.62500 -1.0 2.0
   66    69    73    78   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    73   3.62500 -1.0 2.0
   69    73    76    77   3.62500 -1.0 2.0
   69    73    76    80   3.62500 -1.0 2.0
   69    73    78    82   1.63200 -1.0 2.0
   70    69    73    76   3.62500 -1.0 2.0
   70    69    73    78   3.62500 -1.0 2.0
   73    76   -80    64   3.62500 -1.0 2.0
   73    76    80    81   3.62500 -1.0 2.0
   73    78    82    83   0.08050  1.0 3.0
   73    78    82    84   0.08050  1.0 3.0
   73    78    82    85   0.08050  1.0 3.0
   76    73    78    82   1.63200 -1.0 2.0
   77    76    80    64   3.62500 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   80    64    66    67   3.62500 -1.0 2.0
   80    64   -66    69   3.62500 -1.0 2.0
   78    73    76    77   3.62500 -1.0 2.0
   78    73    76    80   3.62500 -1.0 2.0
   65    49    50    51   3.62500 -1.0 2.0
   65    49   -50    53   3.62500 -1.0 2.0
   65    55    64    66   0.15800  1.0 1.0
   65    55    64    66   1.85350 -1.0 2.0
   65    55    64    66  -0.48700  1.0 3.0
   65    55    64    80   0.15800  1.0 1.0
   65    55    64    80   1.85350 -1.0 2.0
   65    55    64    80  -0.48700  1.0 3.0
   65    68    71    72   3.62500 -1.0 2.0
   65    68    71    74   3.62500 -1.0 2.0
   65    68    89    86   3.62500 -1.0 2.0
   65    68    89    90   3.62500 -1.0 2.0
   68    71    74    75   3.62500 -1.0 2.0
   68    71    74    79   3.62500 -1.0 2.0
   71    68    89    86   3.62500 -1.0 2.0
   71    68    89    90   3.62500 -1.0 2.0
   71    74   -79    86   3.62500 -1.0 2.0
   71    74    79    88   3.62500 -1.0 2.0
   72    71    74    75   3.62500 -1.0 2.0
   72    71    74    79   3.62500 -1.0 2.0
   74    79    86    87   3.62500 -1.0 2.0
   74    79    86    89   3.62500 -1.0 2.0
   74    79    88    91   1.63200 -1.0 2.0
   75    74    79    86   3.62500 -1.0 2.0
   75    74    79    88   3.62500 -1.0 2.0
   79    86   -89    68   3.62500 -1.0 2.0
   79    86    89    90   3.62500 -1.0 2.0
   79    88    91    92   0.08050  1.0 3.0
   79    88    91    93   0.08050  1.0 3.0
   79    88    91    94   0.08050  1.0 3.0
   86    79    88    91   1.63200 -1.0 2.0
   87    86    89    68   3.62500 -1.0 2.0
   87    86    89    90   3.62500 -1.0 2.0
   89    68    71    72   3.62500 -1.0 2.0
   89    68   -71    74   3.62500 -1.0 2.0
   88    79    86    87   3.62500 -1.0 2.0
   88    79    86    89   3.62500 -1.0 2.0
   56    54    55    64  -0.01700  1.0 1.0
   56    54    55    64   0.06550 -1.0 2.0
   56    54    55    64  -0.91500  1.0 3.0
   56    54    55    65   0.09850  1.0 1.0
   56    54    55    65   0.15250 -1.0 2.0
   56    54    55    65  -0.50650  1.0 3.0
   56    54    60    61   0.15000  1.0 3.0
   56    54    60    62   0.15000  1.0 3.0
   56    54    60    63   0.15000  1.0 3.0
   60    54    55    64  -0.01700  1.0 1.0
   60    54    55    64   0.06550 -1.0 2.0
   60    54    55    64  -0.91500  1.0 3.0
   60    54    55    65   0.09850  1.0 1.0
   60    54    55    65   0.15250 -1.0 2.0
   60    54    55    65  -0.50650  1.0 3.0
   60    54    56    57   0.15000  1.0 3.0
   60    54    56    58   0.15000  1.0 3.0
   60    54    56    59   0.15000  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
   45    51    44    43   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   50    65    49    47   4.00000 -1.0 2.0
   51    53    50    49   4.00000 -1.0 2.0
   50    52    51    44   1.10000 -1.0 2.0
   54    64    55    65   1.10000 -1.0 2.0
   66    80    64    55   4.00000 -1.0 2.0
   69    67    66    64   1.10000 -1.0 2.0
   73    70    69    66   1.10000 -1.0 2.0
   76    78    73    69   4.00000 -1.0 2.0
   80    77    76    73   1.10000 -1.0 2.0
   76    81    80    64   1.10000 -1.0 2.0
   49    68    65    55   1.10000 -1.0 2.0
   71    89    68    65   4.00000 -1.0 2.0
   74    72    71    68   1.10000 -1.0 2.0
   79    75    74    71   1.10000 -1.0 2.0
   86    88    79    74   4.00000 -1.0 2.0
   89    87    86    79   1.10000 -1.0 2.0
   86    90    89    68   1.10000 -1.0 2.0
END
