* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    164    258     481
    1     0 S   NP   _N1_     1    28.70870    96.59886   -21.62820
    2     1 S   H    _HN1     2     1.02792    84.85545   -53.61061
    3     1 S   H    _H1_     3     1.02959    82.87357    55.56314
    4     1 S   H    _H2_     4     1.02844    41.24644  -178.30061
    5     1 S   CT   _CA1     5     1.50028   151.97301   176.67999
    6     5 S   HC   _HA1     6     1.09585   105.25910    62.46220
    7     5 S   CO3  _C1_     7     1.53776   112.72300   -57.65366
    8     7 S   O2Z  _O11     8     1.26337   115.17830   -41.99983
    9     7 S   O2Z  _O12     9     1.26307   115.00425   138.00278
   10     5 S   CT   _CB1    10     1.53208   107.49645  -179.74436
   11    10 S   HC   HB11    11     1.09803   109.29912   -53.56015
   12    10 S   HC   HB12    12     1.09820   110.41146    63.03037
   13    10 S   CT   _CG1    13     1.52907   112.51925  -174.86043
   14    13 S   HC   HG11    14     1.09492   109.88988   -64.74204
   15    13 S   HC   HG12    15     1.09643   110.14984    54.37934
   16    13 S   C    _CD1    16     1.51705   112.95567   175.17509
   17    16 S   O    _OE1    17     1.22665   123.36031    -5.85940
   18    16 S   N    _N2_    18     1.38688   111.33749   174.40931
   19    18 S   H    _HN2    19     1.01553   118.96331     1.46473
   20    18 S   CT1  _CA2    20     1.46177   123.59882  -179.76015
   21    20 S   HC   _HA2    21     1.09736   109.35422   -13.74642
   22    20 S   C    _C2_    22     1.53448   107.98119  -129.31591
   23    22 S   O    _O2_    23     1.22993   122.30212  -144.39727
   24    20 S   CT   _CB2    32     1.53425   111.54458   108.55067
   25    24 S   HC   HB21    33     1.09597   110.12421    53.68680
   26    24 S   HC   HB22    34     1.09504   110.21879   172.83158
   27    22 S   N    _N3_    24     1.38521   113.28833    42.75089
   28    27 S   H    _HN3    25     1.01530   118.94043    -0.29739
   29    24 S   S    _SG2    35     1.82471   111.81911   -67.46166
   30    27 S   CT   _CA3    26     1.45470   123.52884   175.17980
   31    30 S   HC   HA31    27     1.09515   109.34443    21.99161
   32    30 S   HC   HA32    28     1.09496   107.08338   139.03757
   33    29 S   CT   _C24    36     1.82916    98.98028   175.88843
   34    33 S   F    F1__    37     1.36595   108.32112   -62.24678
   35    33 S   F    F2__    38     1.36485   108.71343    51.36683
   36    30 S   CO3  _C3_    29     1.52932   113.08339  -101.54958
   37    36 S   O2Z  _O31    30     1.26404   115.40407   -43.34104
   38    36 S   O2Z  _O32    31     1.26352   114.97095   137.57183
   39    33 S   CA   _C21    39     1.50949   110.23186   174.74156
   40    39 S   CA   _C22    40     1.39028   120.73966   -93.04913
   41    40 S   HA   _H26    41     1.08682   120.87161    -0.87133
   42    40 S   CA   _C23    42     1.39015   119.67646   178.89536
   43    42 S   HA   _H27    43     1.08886   118.15385  -179.89532
   44    42 S   CA   _C18    44     1.40846   121.19883    -0.30710
   45    44 S   CA   _C19    45     1.40690   121.02232    -0.12195
   46    44 S   S    _S1_    59     1.77488   115.44352  -178.68300
   47    39 S   CA   _C20    46     1.40694   120.49588    85.63083
   48    47 S   HA   _H25    47     1.08599   115.86221     1.94320
   49    45 S   NE   _N6_    48     1.42697   121.58244  -179.86878
   50    49 S   CA   _C12    49     1.42595   125.71210   -10.07083
   51    49 S   CT   _C11    60     1.48447   116.96473   169.01465
   52    51 S   HC   _H19    61     1.09671   110.81389   -33.73368
   53    51 S   HC   _H20    62     1.09745   111.15087  -145.89155
   54    50 S   CA   _C13    50     1.41521   122.50958  -169.34687
   55    54 S   HA   _H21    51     1.08585   121.88595     0.29475
   56    51 S   CT   _C10    63     1.53836   111.50126    90.72514
   57    56 S   HC   _H17    64     1.09620   109.68141    63.11868
   58    56 S   HC   _H18    65     1.09480   110.95391   -52.32227
   59    54 S   CA   _C14    52     1.39949   122.69542   179.47885
   60    59 S   HA   _H22    53     1.08638   119.88337  -179.87333
   61    56 S   CT   _C9_    66     1.53519   112.39301  -176.88976
   62    61 S   HC   _H15    67     1.09819   106.98816   -55.26390
   63    61 S   HC   _H16    68     1.09774   109.55700  -170.01058
   64    59 S   CA   _C15    54     1.38325   119.99324    -0.05595
   65    64 S   HA   _H23    55     1.08548   120.48886   179.96044
   66    61 S   NT   _N5_    69     1.47398   113.43686    65.91131
   67    64 S   CA   _C16    56     1.38875   119.12300    -0.03956
   68    67 S   HA   _H24    57     1.08868   118.23229   179.83449
   69    66 S   CT   _C6_    70     1.47366   110.06558  -161.65491
   70    69 S   HC   _H9_    71     1.09679   109.59782    59.77498
   71    69 S   HC   _H10    72     1.09827   110.62048   -58.31526
   72    50 S   CA   _C17    58     1.40908   121.50928     9.85373
   73    69 S   CT   _C5_    73     1.52761   111.82131   179.12240
   74    73 S   HC   _H7_    74     1.09462   110.64455   175.79215
   75    73 S   HC   _H8_    75     1.09527   111.83705   -61.22336
   76    73 S   NP   _N4_    76     1.50891   109.07760    57.75555
   77    76 S   H    _H6_    77     1.02899   107.27634    59.22908
   78    76 S   CT   _C8_    78     1.50810   110.51821   -57.74750
   79    78 S   HC   _H13    79     1.09629   107.89606   -64.43869
   80    78 S   HC   _H14    80     1.09494   107.41784   177.50966
   81    76 S   CT   _C4_    84     1.50032   112.25131   175.88820
   82    81 S   HC   _H3_    85     1.09171   108.78122    64.23588
   83    81 S   HC   _H4_    86     1.09311   107.94493  -175.44151
   84    81 S   HC   _H5_    87     1.09299   108.14175   -56.54835
   85    66 S   CT   _C7_    81     1.47455   111.50740    75.58765
   86    85 S   HC   _H11    82     1.09829   110.52929    57.69738
   87    85 S   HC   _H12    83     1.09447   110.48946   -60.60260
  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   6   5   4   3
   9   4   3   2   1   1   9   8   4   7   3   9  11   8   4   1
  13  12  11   5   4   7   4   8   5   4   6   3  11   4   3   4
   3  13   2   1  12   6   5   1  12   5   4  11   8   9   5   4
   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    49  
   41    42    43    44    45    47    48    46  
   42    43    44    47  
   43    44    45    47    49    72    46  
   44    45    46  
   45    47    48    49    50    67    72    46    51  
   47    48    49    50    54    72    46    51    52    53    56  
   47    49    50    54    64    67    68    72  
   48    49    50    51  
   49  
   50    54    55    59    67    72    51    52    53    56    57    58    61  
   54    55    59    60    64    67    68    72    51    52    53    56  
   52    53    56    57    58    61    62    63    66    54    72  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60    64    65    67    72  
   59    60    64    72  
   57    58    61    62    63    66    69    85  
   58    61    62    63    66  
   61    62    63    66  
   60    64    65    67    68    72  
   64    65    67  
   62    63    66    69    70    71    73    78    85    86    87  
   63    66    69    85  
   66    69    85  
   65    67    68    72  
   67    68    72  
   69    70    71    73    74    75    76    78    79    80    85    86    87  
   68    72  
   72  
   70    71    73    74    75    76    77    78    85    86    87    81  
   71    73    74    75    76    85  
   73    74    75    76    85  
    0  
   74    75    76    77    78    79    80    85    81    82    83    84  
   75    76    77    78    81  
   76    77    78    81  
   77    78    79    80    85    86    87    81    82    83    84  
   78    79    80    85    81    82    83    84  
   79    80    85    86    87    81    82    83    84  
   80    85    86    87    81  
   85    86    87    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87  
   87  
    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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.6000   0.3550  -0.305000   2.0300   1.8000   0.025682759  -1.666211680
   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   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   50   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   77   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   2.5000   0.0150   0.060000   1.6450   1.4500   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    47   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   367.000  1.080
   42    44   469.000  1.400
   44    45   469.000  1.400
   44    46   250.000  1.760
   45    47   469.000  1.400
   45    49   481.000  1.340
   47    48   367.000  1.080
   49    50   481.000  1.340
   49    51   382.000  1.448
   50    54   469.000  1.400
   50    72   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    68   367.000  1.080
   67    72   469.000  1.400
   72    46   250.000  1.760
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   382.000  1.448
   66    69   382.000  1.448
   66    85   382.000  1.448
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   367.000  1.471
   76    77   434.000  1.010
   76    78   367.000  1.471
   76    81   367.000  1.471
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    47    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    47    45    63.00000  120.00000
   39    47    48    35.00000  120.00000
   40    42    43    35.00000  120.00000
   40    42    44    63.00000  120.00000
   42    40    41    35.00000  120.00000
   42    44    45    63.00000  120.00000
   42    44    46    85.00000  119.40000
   44    42    43    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    45    49    70.00000  120.10000
   44    46    72    90.00000  100.00000
   45    47    48    35.00000  120.00000
   45    49    50    50.00000  129.00000
   45    49    51    50.00000  120.00000
   47    39    40    63.00000  120.00000
   49    45    47    70.00000  120.10000
   49    50    54    70.00000  120.10000
   49    50    72    70.00000  120.10000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    56    80.00000  111.61500
   50    54    55    35.00000  120.00000
   50    54    59    63.00000  120.00000
   50    72    67    63.00000  120.00000
   50    72    46    85.00000  119.40000
   54    59    60    35.00000  120.00000
   54    59    64    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    64    65    35.00000  120.00000
   59    64    67    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    67    68    35.00000  120.00000
   64    67    72    63.00000  120.00000
   67    64    65    35.00000  120.00000
   67    72    46    85.00000  119.40000
   72    50    54    63.00000  120.00000
   72    67    68    35.00000  120.00000
   46    44    45    85.00000  119.40000
   51    49    50    50.00000  120.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    66    56.20000  109.47000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    66    69    51.80000  107.20000
   61    66    85    51.80000  107.20000
   63    61    62    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    73    56.20000  109.47000
   66    85    78    56.20000  109.47000
   66    85    86    35.00000  109.50000
   66    85    87    35.00000  109.50000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    80.00000  111.20000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    76    77    35.00000  109.50000
   73    76    78    75.00000  113.01200
   73    76    81    75.00000  113.01200
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    85    80.00000  111.20000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   78    76    77    35.00000  109.50000
   78    85    86    37.50000  110.70000
   78    85    87    37.50000  110.70000
   80    78    79    33.00000  107.80000
   85    66    69    51.80000  107.20000
   85    78    79    37.50000  110.70000
   85    78    80    37.50000  110.70000
   87    85    86    33.00000  107.80000
   81    76    77    35.00000  109.50000
   81    76    78    75.00000  113.01200
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    47  -0.16000  1.0 1.0
   29    33    39    47  -0.03200 -1.0 2.0
   29    33    39    47   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    47    45   3.62500 -1.0 2.0
   33    39    47    48   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    44   3.62500 -1.0 2.0
   40    39    47    45   3.62500 -1.0 2.0
   40    39    47    48   3.62500 -1.0 2.0
   40    42   -44    45   3.62500 -1.0 2.0
   40    42    44    46   3.62500 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    44   3.62500 -1.0 2.0
   42    44    45    47   3.62500 -1.0 2.0
   42    44    45    49   3.62500 -1.0 2.0
   42    44    46    72   0.25000 -1.0 2.0
   42    44    46    72   0.25000 -1.0 4.0
   43    42    44    45   3.62500 -1.0 2.0
   43    42    44    46   3.62500 -1.0 2.0
   44    45   -47    39   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    49    50   0.17750 -1.0 2.0
   44    45    49    51  -1.00000  1.0 1.0
   44    45    49    51   1.25000 -1.0 2.0
   45    44    46    72   0.25000 -1.0 2.0
   45    44    46    72   0.25000 -1.0 4.0
   45    49    50    54   0.17750 -1.0 2.0
   45    49   -50    72   0.17750 -1.0 2.0
   45    49    51    52   0.00000  1.0 1.0
   45    49    51    53   0.00000  1.0 1.0
   45    49    51    56  -0.12500  1.0 1.0
   45    49    51    56  -0.12500 -1.0 2.0
   45    49    51    56   0.25000  1.0 3.0
   47    39    40    41   3.62500 -1.0 2.0
   47    39   -40    42   3.62500 -1.0 2.0
   47    45    49    50   0.17750 -1.0 2.0
   47    45    49    51  -1.00000  1.0 1.0
   47    45    49    51   1.25000 -1.0 2.0
   49    45    47    39   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    50    54    55   3.62500 -1.0 2.0
   49    50    54    59   3.62500 -1.0 2.0
   49    50    72    67   3.62500 -1.0 2.0
   49    50    72    46   3.62500 -1.0 2.0
   49    51    56    57   0.22950  1.0 3.0
   49    51    56    58   0.22950  1.0 3.0
   49    51    56    61   1.26750  1.0 1.0
   49    51    56    61  -0.00950 -1.0 2.0
   49    51    56    61   0.30600  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    56  -0.12500  1.0 1.0
   50    49    51    56  -0.12500 -1.0 2.0
   50    49    51    56   0.25000  1.0 3.0
   50    54    59    60   3.62500 -1.0 2.0
   50    54    59    64   3.62500 -1.0 2.0
   50    72   -46    44   0.25000 -1.0 2.0
   50    72   -46    44   0.25000 -1.0 4.0
   54    50    72    67   3.62500 -1.0 2.0
   54    50    72    46   3.62500 -1.0 2.0
   54    59    64    65   3.62500 -1.0 2.0
   54    59   -64    67   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    64   3.62500 -1.0 2.0
   59    64    67    68   3.62500 -1.0 2.0
   59    64    67    72   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    67   3.62500 -1.0 2.0
   64    67   -72    50   3.62500 -1.0 2.0
   64    67    72    46   3.62500 -1.0 2.0
   65    64    67    68   3.62500 -1.0 2.0
   65    64    67    72   3.62500 -1.0 2.0
   67    72    46    44   0.25000 -1.0 2.0
   67    72    46    44   0.25000 -1.0 4.0
   68    67    72    50   3.62500 -1.0 2.0
   68    67    72    46   3.62500 -1.0 2.0
   72    50    54    55   3.62500 -1.0 2.0
   72    50   -54    59   3.62500 -1.0 2.0
   46    44    45    47   3.62500 -1.0 2.0
   46    44   -45    49   3.62500 -1.0 2.0
   51    49    50    54  -1.00000  1.0 1.0
   51    49    50    54   1.25000 -1.0 2.0
   51    49    50    72  -1.00000  1.0 1.0
   51    49    50    72   1.25000 -1.0 2.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56    61    66   1.53400  1.0 1.0
   51    56    61    66  -0.09950 -1.0 2.0
   51    56    61    66   0.05700  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    61    66    69   0.23450  1.0 1.0
   56    61    66    69   0.02050 -1.0 2.0
   56    61    66    69   0.25250  1.0 3.0
   56    61    66    85   0.23450  1.0 1.0
   56    61    66    85   0.02050 -1.0 2.0
   56    61    66    85   0.25250  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    66   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    66   0.15000  1.0 3.0
   61    66    69    70   0.28000  1.0 3.0
   61    66    69    71   0.28000  1.0 3.0
   61    66    69    73   0.58650  1.0 1.0
   61    66    69    73   0.12600 -1.0 2.0
   61    66    69    73   0.33350  1.0 3.0
   61    66    85    78   0.58650  1.0 1.0
   61    66    85    78   0.12600 -1.0 2.0
   61    66    85    78   0.33350  1.0 3.0
   61    66    85    86   0.28000  1.0 3.0
   61    66    85    87   0.28000  1.0 3.0
   62    61    66    69   0.28000  1.0 3.0
   62    61    66    85   0.28000  1.0 3.0
   63    61    66    69   0.28000  1.0 3.0
   63    61    66    85   0.28000  1.0 3.0
   66    69    73    74   0.15000  1.0 3.0
   66    69    73    75   0.15000  1.0 3.0
   66    69    73    76   0.99100  1.0 1.0
   66    69    73    76  -1.80900 -1.0 2.0
   69    66    85    78   0.23450  1.0 1.0
   69    66    85    78   0.02050 -1.0 2.0
   69    66    85    78   0.25250  1.0 3.0
   69    66    85    86   0.28000  1.0 3.0
   69    66    85    87   0.28000  1.0 3.0
   69    73    76    77   0.17350  1.0 3.0
   69    73   -76    78   0.47100  1.0 1.0
   69    73    76    81   0.47100  1.0 1.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    76   0.19200  1.0 3.0
   71    69    73    74   0.15000  1.0 3.0
   71    69    73    75   0.15000  1.0 3.0
   71    69    73    76   0.19200  1.0 3.0
   73    76    78    79   0.15000  1.0 3.0
   73    76    78    80   0.15000  1.0 3.0
   73    76    78    85   0.47100  1.0 1.0
   73    76    81    82   0.15000  1.0 3.0
   73    76    81    83   0.15000  1.0 3.0
   73    76    81    84   0.15000  1.0 3.0
   74    73    76    77   0.13050  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    81   0.15000  1.0 3.0
   75    73    76    77   0.13050  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    81   0.15000  1.0 3.0
   76    78   -85    66   0.99100  1.0 1.0
   76    78   -85    66  -1.80900 -1.0 2.0
   76    78    85    86   0.19200  1.0 3.0
   76    78    85    87   0.19200  1.0 3.0
   77    76    78    79   0.13050  1.0 3.0
   77    76    78    80   0.13050  1.0 3.0
   77    76    78    85   0.17350  1.0 3.0
   77    76    81    82   0.13050  1.0 3.0
   77    76    81    83   0.13050  1.0 3.0
   77    76    81    84   0.13050  1.0 3.0
   78    76    81    82   0.15000  1.0 3.0
   78    76    81    83   0.15000  1.0 3.0
   78    76    81    84   0.15000  1.0 3.0
   79    78    85    66   0.15000  1.0 3.0
   79    78    85    86   0.15000  1.0 3.0
   79    78    85    87   0.15000  1.0 3.0
   80    78    85    66   0.15000  1.0 3.0
   80    78    85    86   0.15000  1.0 3.0
   80    78    85    87   0.15000  1.0 3.0
   85    66    69    70   0.28000  1.0 3.0
   85    66    69    71   0.28000  1.0 3.0
   85    66   -69    73   0.23450  1.0 1.0
   85    66   -69    73   0.02050 -1.0 2.0
   85    66   -69    73   0.25250  1.0 3.0
   81    76    78    79   0.15000  1.0 3.0
   81    76    78    80   0.15000  1.0 3.0
   81    76    78    85   0.47100  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   40    47    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   45    46    44    42   4.00000 -1.0 2.0
   47    49    45    44   4.00000 -1.0 2.0
   45    48    47    39   1.10000 -1.0 2.0
   51    45    49    50   1.00000 -1.0 2.0
   54    72    50    49   4.00000 -1.0 2.0
   59    55    54    50   1.10000 -1.0 2.0
   64    60    59    54   1.10000 -1.0 2.0
   67    65    64    59   1.10000 -1.0 2.0
   72    68    67    64   1.10000 -1.0 2.0
   67    46    72    50   4.00000 -1.0 2.0
END
