* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    144    209     415
    1     0 S   NP   _N1_     1    28.71232    94.19483   -21.10969
    2     1 S   H    _HN1     2     1.02789    89.23095   -82.48021
    3     1 S   H    _H1_     3     1.02955    93.23693    25.76014
    4     1 S   H    _H2_     4     1.02845    28.85158   146.30758
    5     1 S   CT   _CA1     5     1.50087   139.49601   153.10609
    6     5 S   HC   _HA1     6     1.09580   105.25991    55.85633
    7     5 S   CO3  _C1_     7     1.53718   112.26694   -64.32241
    8     7 S   O2Z  _O11     8     1.26414   115.16408   -49.15829
    9     7 S   O2Z  _O12     9     1.26220   114.91679   130.29179
   10     5 S   CT   _CB1    10     1.53101   107.43485   173.60325
   11    10 S   HC   HB11    11     1.09820   109.26258   -51.81129
   12    10 S   HC   HB12    12     1.09823   110.45007    64.66422
   13    10 S   CT   _CG1    13     1.53043   112.73238  -173.00552
   14    13 S   HC   HG11    14     1.09525   110.37432   -61.83514
   15    13 S   HC   HG12    15     1.09633   110.13868    57.29329
   16    13 S   C    _CD1    16     1.51826   112.13420   177.34391
   17    16 S   O    _OE1    17     1.22741   123.08876   -12.18714
   18    16 S   N    _N2_    18     1.38618   111.82224   168.82499
   19    18 S   H    _HN2    19     1.01576   119.12760     0.55778
   20    18 S   CT1  _CA2    20     1.46233   123.31761   179.80617
   21    20 S   HC   _HA2    21     1.09735   109.36769    -9.22019
   22    20 S   C    _C2_    22     1.53461   108.28428  -124.79394
   23    22 S   O    _O2_    23     1.23019   122.27065  -145.50823
   24    20 S   CT   _CB2    32     1.53420   111.71013   112.85097
   25    24 S   HC   HB21    33     1.09539   109.80909    56.32204
   26    24 S   HC   HB22    34     1.09522   110.06086   175.25418
   27    22 S   N    _N3_    24     1.38521   113.40471    41.80887
   28    27 S   H    _HN3    25     1.01516   118.91815    -0.59182
   29    24 S   S    _SG2    35     1.82774   111.80645   -64.84218
   30    27 S   CT   _CA3    26     1.45445   123.46380   175.19804
   31    30 S   HC   HA31    27     1.09522   109.29130    23.79346
   32    30 S   HC   HA32    28     1.09499   107.12189   140.79017
   33    29 S   CT   _C19    36     1.84425    99.68194  -175.47697
   34    33 S   HC   _H3_    37     1.09620   106.15360    51.45102
   35    30 S   CO3  _C3_    29     1.52911   113.01660   -99.72153
   36    35 S   O2Z  _O31    30     1.26410   115.34852   -46.40241
   37    35 S   O2Z  _O32    31     1.26347   115.02341   134.51644
   38    33 S   CA   _C10    38     1.51941   111.80131   -67.35899
   39    33 S   CT   _C20    77     1.53561   109.83112   168.80613
   40    39 S   HC   _H22    78     1.09915   109.22915   172.43340
   41    39 S   HC   _H23    79     1.09837   110.93197    55.98969
   42    38 S   CA   _C9_    39     1.40104   119.63325   119.11069
   43    42 S   HA   _H10    40     1.08854   119.43042     0.18131
   44    39 S   CO3  _C21    80     1.53308   115.67704   -68.95319
   45    44 S   O2Z  _O36    81     1.26206   116.12891   -33.52558
   46    44 S   O2Z  _O35    82     1.26440   114.45311   147.69537
   47    42 S   CA   _C8_    41     1.40351   121.32726  -179.70591
   48    47 S   CA   _C13    42     1.40572   118.94436    -0.73462
   49    47 S   CT   _C7_    63     1.51260   119.01238  -179.24463
   50    49 S   HC   _H8_    64     1.09747   109.84318  -146.16058
   51    49 S   HC   _H9_    65     1.09518   109.48669   -32.59793
   52    48 S   CA   _C12    43     1.40521   121.12854     0.41259
   53    48 S   OH   _O33    61     1.37137   117.00423  -179.58457
   54    53 S   HO   _H12    62     0.96911   110.28511  -179.07423
   55    49 S   CM   _C6_    66     1.50356   112.34468    92.74587
   56    55 S   HC   _H7_    67     1.08991   114.03563    74.27631
   57    38 S   CA   _C11    44     1.40309   121.89321   -61.25812
   58    57 S   HA   _H11    45     1.08862   119.13169     0.33630
   59    52 S   CT   _C14    46     1.51246   123.44147   178.22756
   60    59 S   HC   _H13    47     1.09705   109.84062    43.21373
   61    59 S   HC   _H14    48     1.09587   109.94797   156.56959
   62    55 S   CM   _C5_    68     1.34694   128.00397  -107.05950
   63    59 S   CM   _C15    49     1.50387   112.37244   -78.64146
   64    63 S   HC   _H15    50     1.08940   114.43030    79.43514
   65    62 S   CT   _C4_    69     1.50588   120.39614  -178.77667
   66    65 S   HC   _H4_    70     1.09497   110.21721   120.68104
   67    65 S   HC   _H5_    71     1.09497   110.26480  -119.50613
   68    65 S   HC   _H6_    72     1.09511   112.43089     0.60781
   69    62 S   CT   _C22    73     1.50259   125.30125     1.77762
   70    69 S   HC   _H24    74     1.09535   110.02055   123.69948
   71    69 S   HC   _H25    75     1.09496   110.06006  -117.03791
   72    69 S   HC   _H26    76     1.09171   113.65715     3.78982
   73    63 S   CM   _C16    51     1.34744   127.83065  -101.80252
   74    73 S   CT   _C17    52     1.50791   120.14480  -179.72876
   75    74 S   HC   _H16    53     1.09471   110.54589   119.32401
   76    74 S   HC   _H17    54     1.09507   110.20372  -120.66532
   77    74 S   HC   _H18    55     1.09518   112.36850    -0.80259
   78    73 S   CT   _C18    56     1.50429   125.11320     2.27193
   79    78 S   HC   _H19    57     1.09117   113.85160     2.96115
   80    78 S   HC   _H20    58     1.09498   109.35882   122.90634
   81    78 S   OH   _O34    59     1.42129   109.27429  -117.73413
   82    81 S   HO   _H21    60     0.97526   106.96702  -150.62724
  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
  14   7   2   1   1  13   7   4   3  11   4   2   1   1  12  13
   9   4   3  10   3   1  10   3   5   1   7   4   3   8  10   3
   7   3   2   1   3   2   1   1   9   7   3   2   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    57    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    52    57    58    39    40    41    44    45    46  
   38    42    57    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    52    57    58    59    49    39    40    41    44  
   40    41    44    45    46    42    57  
   41    44    45    46  
   44    45    46  
   43    47    48    52    57    58    53    49    50    51    55  
   47    48    57    49  
   45    46  
   46  
    0  
   48    52    57    59    53    54    49    50    51    55    56    62  
   52    57    58    59    60    61    63    53    54    49    50    51    55  
   50    51    55    56    62    65    69    52    53  
   51    55    56    62  
   55    56    62  
   57    58    59    60    61    63    64    73    53    54  
   54    57    59  
    0  
   56    62    65    66    67    68    69    70    71    72  
   62    65    69  
   58    59    60    61    63  
   59  
   60    61    63    64    73    74    78  
   61    63    64    73  
   63    64    73  
   65    66    67    68    69    70    71    72  
   64    73    74    75    76    77    78    79    80    81  
   73    74    78  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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  -0.335000   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    57   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    48   469.000  1.400
   47    49   317.000  1.510
   48    52   469.000  1.400
   48    53   450.000  1.364
   52    57   469.000  1.400
   52    59   317.000  1.510
   57    58   367.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   317.000  1.510
   63    64   340.000  1.080
   63    73   549.000  1.340
   73    74   317.000  1.510
   73    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   320.000  1.410
   81    82   553.000  0.945
   53    54   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   317.000  1.510
   55    56   340.000  1.080
   55    62   549.000  1.340
   62    65   317.000  1.510
   62    69   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   656.000  1.250
   44    46   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    47    63.00000  120.00000
   38    57    52    63.00000  120.00000
   38    57    58    35.00000  120.00000
   42    47    48    63.00000  120.00000
   42    47    49    70.00000  120.00000
   47    42    43    35.00000  120.00000
   47    48    52    63.00000  120.00000
   47    48    53    70.00000  120.00000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    55    70.00000  112.99600
   48    52    57    63.00000  120.00000
   48    52    59    70.00000  120.00000
   48    53    54    35.00000  113.00000
   52    57    58    35.00000  120.00000
   52    59    60    35.00000  109.50000
   52    59    61    35.00000  109.50000
   52    59    63    70.00000  112.99600
   57    38    42    63.00000  120.00000
   59    52    57    70.00000  120.00000
   59    63    64    35.00000  117.00000
   59    63    73    70.00000  124.00000
   61    59    60    33.00000  107.80000
   63    59    60    35.00000  109.50000
   63    59    61    35.00000  109.50000
   63    73    74    70.00000  124.00000
   63    73    78    70.00000  124.00000
   73    63    64    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    90.00000  110.39200
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    73    74    65.00000  117.92700
   78    81    82    55.00000  108.50000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   53    48    52    70.00000  120.00000
   49    47    48    70.00000  120.00000
   49    55    56    35.00000  117.00000
   49    55    62    70.00000  124.00000
   51    49    50    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    51    35.00000  109.50000
   55    62    65    70.00000  124.00000
   55    62    69    70.00000  124.00000
   62    55    56    35.00000  120.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    62    65    65.00000  117.92700
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    57    52   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    44    45   0.41150 -1.0 2.0
   33    39    44    46   0.41150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44  -2.95950  1.0 1.0
   38    33    39    44   0.02300  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   42    38    57    52   3.62500 -1.0 2.0
   42    38    57    58   3.62500 -1.0 2.0
   42    47   -48    52   3.62500 -1.0 2.0
   42    47    48    53   3.62500 -1.0 2.0
   42    47    49    50   0.00000  1.0 1.0
   42    47    49    51   0.00000  1.0 1.0
   42    47    49    55   0.18050 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   43    42    47    49   3.62500 -1.0 2.0
   47    48    52    57   3.62500 -1.0 2.0
   47    48    52    59   3.62500 -1.0 2.0
   47    48    53    54   0.84100 -1.0 2.0
   47    49    55    56   0.00000  1.0 1.0
   47    49    55    62   1.44450  1.0 1.0
   47    49    55    62   0.06600 -1.0 2.0
   47    49    55    62   0.29250  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    55   0.18050 -1.0 2.0
   48    52   -57    38   3.62500 -1.0 2.0
   48    52    57    58   3.62500 -1.0 2.0
   48    52    59    60   0.00000  1.0 1.0
   48    52    59    61   0.00000  1.0 1.0
   48    52    59    63   0.18050 -1.0 2.0
   52    48    53    54   0.84100 -1.0 2.0
   52    59    63    64   0.00000  1.0 1.0
   52    59    63    73   1.44450  1.0 1.0
   52    59    63    73   0.06600 -1.0 2.0
   52    59    63    73   0.29250  1.0 3.0
   57    38    42    43   3.62500 -1.0 2.0
   57    38   -42    47   3.62500 -1.0 2.0
   57    52    59    60   0.00000  1.0 1.0
   57    52    59    61   0.00000  1.0 1.0
   57    52    59    63   0.18050 -1.0 2.0
   59    52    57    38   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   59    63    73    74   7.00000 -1.0 2.0
   59    63    73    78   7.00000 -1.0 2.0
   60    59    63    64   0.33100  1.0 3.0
   60    59    63    73   0.00000  1.0 1.0
   61    59    63    64   0.33100  1.0 3.0
   61    59    63    73   0.00000  1.0 1.0
   63    73    74    75   0.00000  1.0 1.0
   63    73    74    76   0.00000  1.0 1.0
   63    73    74    77   0.00000  1.0 1.0
   63    73    78    79   0.00000  1.0 1.0
   63    73    78    80   0.00000  1.0 1.0
   63    73    78    81   0.67800  1.0 1.0
   63    73    78    81   0.47050 -1.0 2.0
   63    73    78    81  -0.62500  1.0 3.0
   64    63    73    74   7.00000 -1.0 2.0
   64    63    73    78   7.00000 -1.0 2.0
   73    78    81    82  -0.07800  1.0 1.0
   73    78    81    82  -0.21500 -1.0 2.0
   73    78    81    82  -0.03150  1.0 3.0
   74    73    78    79   0.34800  1.0 3.0
   74    73    78    80   0.34800  1.0 3.0
   74    73    78    81   0.18000  1.0 1.0
   74    73    78    81   0.16450 -1.0 2.0
   74    73    78    81   0.04450  1.0 3.0
   78    73    74    75   0.34800  1.0 3.0
   78    73    74    76   0.34800  1.0 3.0
   78    73    74    77   0.34800  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   53    48    52    57   3.62500 -1.0 2.0
   53    48    52    59   3.62500 -1.0 2.0
   49    47    48    52   3.62500 -1.0 2.0
   49    47    48    53   3.62500 -1.0 2.0
   49    55    62    65   7.00000 -1.0 2.0
   49    55    62    69   7.00000 -1.0 2.0
   50    49    55    56   0.33100  1.0 3.0
   50    49    55    62   0.00000  1.0 1.0
   51    49    55    56   0.33100  1.0 3.0
   51    49    55    62   0.00000  1.0 1.0
   55    62    65    66   0.00000  1.0 1.0
   55    62    65    67   0.00000  1.0 1.0
   55    62    65    68   0.00000  1.0 1.0
   55    62    69    70   0.00000  1.0 1.0
   55    62    69    71   0.00000  1.0 1.0
   55    62    69    72   0.00000  1.0 1.0
   56    55    62    65   7.00000 -1.0 2.0
   56    55    62    69   7.00000 -1.0 2.0
   65    62    69    70   0.34800  1.0 3.0
   65    62    69    71   0.34800  1.0 3.0
   65    62    69    72   0.34800  1.0 3.0
   69    62    65    66   0.34800  1.0 3.0
   69    62    65    67   0.34800  1.0 3.0
   69    62    65    68   0.34800  1.0 3.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   0.00000  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
   36    30    35    37  10.50000 -1.0 2.0
   42    57    38    33   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   48    49    47    42   4.00000 -1.0 2.0
   52    53    48    47   4.00000 -1.0 2.0
   57    59    52    48   4.00000 -1.0 2.0
   52    58    57    38   1.10000 -1.0 2.0
   59    64    63    73  15.00000 -1.0 2.0
   74    78    73    63  15.00000 -1.0 2.0
   49    56    55    62  15.00000 -1.0 2.0
   65    69    62    55  15.00000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
END
