* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    142    229     415
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02117    32.88489   169.66212
    3     1 S   H    _H1_     3     1.02083    91.40182   -66.84515
    4     1 S   H    _H2_     4     1.02044    89.14809    41.83940
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   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    57.98762
   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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C15    36     1.83941    98.15542  -178.23431
   34    33 S   Br   Br1_    37     1.98032   109.11301  -175.89129
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C16    38     1.51970   109.54141   -59.96180
   39    38 S   CM   _C11    39     1.45091   119.07800   127.59801
   40    39 S   CM   _C12    40     1.35293   123.02977    -4.60419
   41    40 S   Br   Br4_    41     1.89175   120.50817   179.67494
   42    39 S   CT   _C10    46     1.52429   105.32860   176.05141
   43    40 S   CM   _C13    42     1.47846   120.48440     1.96762
   44    43 S   Br   Br3_    43     1.90040   118.52805  -178.98857
   45    42 S   CA   _C9_    47     1.54421   115.71765  -102.72014
   46    42 S   CA   _C18    62     1.54148   112.41665   121.66993
   47    42 S   OS   _O33    77     1.45999   103.98227     8.28835
   48    33 S   CM   _C14    44     1.53210   110.08207    66.25235
   49    48 S   Br   Br2_    45     1.90989   115.23970    55.84354
   50    45 S   CA   _C4_    48     1.39436   119.98637   165.73478
   51    50 S   HA   _H3_    49     1.08738   120.48372     0.02798
   52    46 S   CA   _C19    63     1.39537   120.00663   105.69695
   53    52 S   HA   _H6_    64     1.08718   120.42306     0.11014
   54    38 S   CMA  _C17    78     1.35511   130.28100   -52.21252
   55    54 S   OM   _O34    79     1.26512   128.86886    -1.32751
   56    50 S   CA   _C5_    50     1.39481   120.02760  -179.96044
   57    56 S   HA   _H4_    51     1.08660   119.63735   179.96574
   58    52 S   CA   _C20    65     1.39430   120.04916  -179.97202
   59    58 S   HA   _H7_    66     1.08686   119.65634   180.00000
   60    56 S   CA   _C6_    52     1.39463   119.97078     0.01978
   61    58 S   CA   _C21    67     1.39470   119.96036     0.06853
   62    60 S   CA   _C7_    53     1.39523   120.01248     0.04423
   63    60 S   OH   _O42    60     1.36205   118.99659   179.92087
   64    63 S   HO   _H10    61     0.97019   110.23023  -179.94065
   65    61 S   CA   _C22    68     1.39508   120.04455    -0.04423
   66    61 S   OH   _O38    75     1.36291   118.98521   179.87967
   67    66 S   HO   _H9_    76     0.97041   110.16600     0.02798
   68    45 S   CA   _C8_    54     1.39463   120.01198   -14.22001
   69    68 S   HA   _H5_    55     1.08840   119.81789    -0.05935
   70    62 S   SY   _S2_    56     1.74902   120.87326   179.97202
   71    70 S   OY   _O41    57     1.46925   103.70350    69.99243
   72    70 S   OY   _O39    58     1.47137   105.71690  -170.02133
   73    70 S   OY   _O40    59     1.47020   103.74603   -50.17146
   74    46 S   CA   _C23    69     1.39480   120.05555   -74.24595
   75    74 S   HA   _H8_    70     1.08825   119.78565    -0.05595
   76    65 S   SY   _S1_    71     1.74940   120.88104   179.95577
   77    76 S   OY   _O37    72     1.47021   103.62120    70.04927
   78    76 S   OY   _O35    73     1.47072   105.69137  -169.99077
   79    76 S   OY   _O36    74     1.46961   103.78948   -50.12387
  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   8   5   4   3
  12   6   2   1   1  12  15  10   4  18   3   2  14  13   6   2
   1   8   4   8   4   1   1   7   3   7   3   9   9   8   3   1
   8   3   1   5   1   3   2   1   1   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    48    49    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    48    49    42    47    54    55  
   38    39    43    48    49    54  
   36    37  
   37  
    0  
   39    40    41    43    48    49    42    45    46    47    54    55  
   40    41    43    44    48    42    45    50    68    46    52    74    47    54    55  
   41    43    44    48    49    42    45    46    47    54  
   43    44    48    42  
   45    50    51    56    62    68    69    46    52    53    58    65    74    75    47    54    55    43  
   44    48    49  
   48    49  
   50    51    56    57    60    62    68    69    70    46    52    74    47    54  
   52    53    58    59    61    65    74    75    76    47    54    50    68  
   54    55    50    52    68    74  
   49    54  
    0  
   51    56    57    60    62    68    69    63  
   56    57    60    68  
   53    58    59    61    65    74    75    66  
   58    59    61    74  
   55  
    0  
   57    60    62    68    70    63    64  
   60    62    63  
   59    61    65    74    76    66    67  
   61    65    66  
   62    68    69    70    71    72    73    63    64  
   65    74    75    76    77    78    79    66    67  
   68    69    70    71    72    73    63    64  
   64    68    70  
    0  
   74    75    76    77    78    79    66    67  
   67    74    76  
    0  
   69    70    71    72    73  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79  
   76  
   77    78    79  
   78    79  
   79  
    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   0.211400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   41   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   42   3.5000   0.0660   0.352600   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   44   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   45   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   49   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.2500   1.291800   2.0025   1.7750   0.025682759  -1.666211680
   71   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   72   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   73   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   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   0.2500   1.291800   2.0025   1.7750   0.025682759  -1.666211680
   77   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   78   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   79   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
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   245.000  1.990
   33    38   317.000  1.510
   33    48   317.000  1.510
   38    39   380.000  1.444
   38    54   465.000  1.376
   39    40   549.000  1.340
   39    42   317.000  1.510
   40    41   165.000  1.979
   40    43   380.000  1.444
   43    44   165.000  1.979
   43    48   549.000  1.340
   48    49   165.000  1.979
   42    45   317.000  1.510
   42    46   317.000  1.510
   42    47   320.000  1.410
   45    50   469.000  1.400
   45    68   469.000  1.400
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    62   469.000  1.400
   60    63   450.000  1.364
   62    68   469.000  1.400
   62    70   225.000  1.779
   68    69   367.000  1.080
   70    71   735.000  1.471
   70    72   735.000  1.471
   70    73   735.000  1.471
   63    64   553.000  0.945
   46    52   469.000  1.400
   46    74   469.000  1.400
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    65   469.000  1.400
   61    66   450.000  1.364
   65    74   469.000  1.400
   65    76   225.000  1.779
   74    75   367.000  1.080
   76    77   735.000  1.471
   76    78   735.000  1.471
   76    79   735.000  1.471
   66    67   553.000  0.945
   47    54   440.000  1.360
   54    55   745.000  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    65.00000  111.00000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    54    70.00000  124.00000
   33    48    43    70.00000  124.00000
   33    48    49    70.00000  111.14000
   38    33    34    70.00000  109.00000
   38    39    40    70.00000  123.01800
   38    39    42    70.00000  124.00000
   38    54    47    80.00000  120.01400
   38    54    55    65.00000  137.10300
   39    40    41    65.00000  115.01300
   39    40    43    70.00000  123.01800
   39    42    45    70.00000  112.99600
   39    42    46    70.00000  112.99600
   39    42    47    85.00000  110.90400
   40    43    44    65.00000  115.01300
   40    43    48    70.00000  123.01800
   43    40    41    65.00000  115.01300
   43    48    49    65.00000  115.01300
   48    33    34    70.00000  109.00000
   48    33    38    70.00000  110.12100
   48    43    44    65.00000  115.01300
   42    39    40    70.00000  124.00000
   42    45    50    70.00000  120.00000
   42    45    68    70.00000  120.00000
   42    46    52    70.00000  120.00000
   42    46    74    70.00000  120.00000
   42    47    54    90.00000  111.18400
   45    50    51    35.00000  120.00000
   45    50    56    63.00000  120.00000
   45    68    62    63.00000  120.00000
   45    68    69    35.00000  120.00000
   50    56    57    35.00000  120.00000
   50    56    60    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    60    62    63.00000  120.00000
   56    60    63    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    62    68    63.00000  120.00000
   60    62    70    65.00000  117.06700
   60    63    64    35.00000  113.00000
   62    68    69    35.00000  120.00000
   62    70    71   100.00000  107.67100
   62    70    72   100.00000  107.67100
   62    70    73   100.00000  107.67100
   68    45    50    63.00000  120.00000
   70    62    68    65.00000  117.06700
   72    70    71   115.00000  120.17200
   73    70    71   115.00000  120.17200
   73    70    72   115.00000  120.17200
   63    60    62    70.00000  120.00000
   46    42    45    70.00000  112.04700
   46    52    53    35.00000  120.00000
   46    52    58    63.00000  120.00000
   46    74    65    63.00000  120.00000
   46    74    75    35.00000  120.00000
   52    58    59    35.00000  120.00000
   52    58    61    63.00000  120.00000
   58    52    53    35.00000  120.00000
   58    61    65    63.00000  120.00000
   58    61    66    70.00000  120.00000
   61    58    59    35.00000  120.00000
   61    65    74    63.00000  120.00000
   61    65    76    65.00000  117.06700
   61    66    67    35.00000  113.00000
   65    74    75    35.00000  120.00000
   65    76    77   100.00000  107.67100
   65    76    78   100.00000  107.67100
   65    76    79   100.00000  107.67100
   74    46    52    63.00000  120.00000
   76    65    74    65.00000  117.06700
   78    76    77   115.00000  120.17200
   79    76    77   115.00000  120.17200
   79    76    78   115.00000  120.17200
   66    61    65    70.00000  120.00000
   47    42    45    85.00000  111.85700
   47    42    46    85.00000  111.85700
   47    54    55    65.00000  121.00000
   54    38    39    70.00000  117.34000
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   0.01700  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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48  -0.62250  1.0 1.0
   24    29    33    48  -0.38450 -1.0 2.0
   24    29    33    48   0.81900  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    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    54   0.42700  1.0 1.0
   29    33    38    54  -0.70350 -1.0 2.0
   29    33    38    54  -0.43150  1.0 3.0
   29    33    48    43   0.42700  1.0 1.0
   29    33    48    43  -0.70350 -1.0 2.0
   29    33    48    43  -0.43150  1.0 3.0
   29    33    48    49   0.09700  1.0 1.0
   29    33    48    49   0.15600 -1.0 2.0
   29    33    48    49  -0.50800  1.0 3.0
   33    38    39    40  -0.18600  1.0 3.0
   33    38    39    42   0.35650  1.0 1.0
   33    38    39    42   0.31450 -1.0 2.0
   33    38    54    47   7.00000 -1.0 2.0
   33    38    54    55   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    54   0.09700  1.0 1.0
   34    33    38    54   0.15600 -1.0 2.0
   34    33    38    54  -0.50800  1.0 3.0
   34    33    48    43   0.09700  1.0 1.0
   34    33    48    43   0.15600 -1.0 2.0
   34    33    48    43  -0.50800  1.0 3.0
   34    33    48    49   0.09700  1.0 1.0
   34    33    48    49   0.15600 -1.0 2.0
   34    33    48    49  -0.50800  1.0 3.0
   38    33    48    43  -0.28300  1.0 1.0
   38    33    48    43   0.26700 -1.0 2.0
   38    33    48    43  -0.63300  1.0 3.0
   38    33    48    49   0.09700  1.0 1.0
   38    33    48    49   0.15600 -1.0 2.0
   38    33    48    49  -0.50800  1.0 3.0
   38    39    40    41   7.00000 -1.0 2.0
   38    39   -40    43   7.00000 -1.0 2.0
   38    39    42    45   1.44450  1.0 1.0
   38    39    42    45   0.06600 -1.0 2.0
   38    39    42    45   0.29250  1.0 3.0
   38    39    42    46   1.44450  1.0 1.0
   38    39    42    46   0.06600 -1.0 2.0
   38    39    42    46   0.29250  1.0 3.0
   38    39   -42    47   0.39000  1.0 1.0
   38    39   -42    47  -0.05800 -1.0 2.0
   38    39   -42    47  -0.55150  1.0 3.0
   39    38   -54    47   7.00000 -1.0 2.0
   39    38    54    55   7.00000 -1.0 2.0
   39    40    43    44  -0.18600  1.0 3.0
   39    40    43    48   0.28850  1.0 1.0
   39    40    43    48   2.61350 -1.0 2.0
   39    40    43    48   0.78400  1.0 3.0
   39    42    45    50   0.18050 -1.0 2.0
   39    42    45    68   0.18050 -1.0 2.0
   39    42    46    52   0.18050 -1.0 2.0
   39    42    46    74   0.18050 -1.0 2.0
   39    42   -47    54  -0.48150  1.0 1.0
   39    42   -47    54   0.09250 -1.0 2.0
   39    42   -47    54  -0.12850  1.0 3.0
   40    39    42    45   1.44450  1.0 1.0
   40    39    42    45   0.06600 -1.0 2.0
   40    39    42    45   0.29250  1.0 3.0
   40    39    42    46   1.44450  1.0 1.0
   40    39    42    46   0.06600 -1.0 2.0
   40    39    42    46   0.29250  1.0 3.0
   40    39    42    47   0.39000  1.0 1.0
   40    39    42    47  -0.05800 -1.0 2.0
   40    39    42    47  -0.55150  1.0 3.0
   40    43   -48    33   7.00000 -1.0 2.0
   40    43    48    49   7.00000 -1.0 2.0
   41    40    43    44   1.08500 -1.0 2.0
   41    40    43    48  -0.18600  1.0 3.0
   44    43    48    33   7.00000 -1.0 2.0
   44    43    48    49   7.00000 -1.0 2.0
   48    33   -38    39  -0.28300  1.0 1.0
   48    33   -38    39   0.26700 -1.0 2.0
   48    33   -38    39  -0.63300  1.0 3.0
   48    33    38    54  -0.28300  1.0 1.0
   48    33    38    54   0.26700 -1.0 2.0
   48    33    38    54  -0.63300  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    43   7.00000 -1.0 2.0
   42    45    50    51   3.62500 -1.0 2.0
   42    45    50    56   3.62500 -1.0 2.0
   42    45    68    62   3.62500 -1.0 2.0
   42    45    68    69   3.62500 -1.0 2.0
   42    46    52    53   3.62500 -1.0 2.0
   42    46    52    58   3.62500 -1.0 2.0
   42    46    74    65   3.62500 -1.0 2.0
   42    46    74    75   3.62500 -1.0 2.0
   42    47   -54    38  -2.26850  1.0 1.0
   42    47   -54    38   3.39050 -1.0 2.0
   42    47    54    55   2.00000 -1.0 2.0
   45    42    46    52   0.04300 -1.0 2.0
   45    42    46    74   0.04300 -1.0 2.0
   45    42    47    54  -0.48150  1.0 1.0
   45    42    47    54   0.09250 -1.0 2.0
   45    42    47    54  -0.12850  1.0 3.0
   45    50    56    57   3.62500 -1.0 2.0
   45    50    56    60   3.62500 -1.0 2.0
   50    45    68    62   3.62500 -1.0 2.0
   50    45    68    69   3.62500 -1.0 2.0
   50    56   -60    62   3.62500 -1.0 2.0
   50    56    60    63   3.62500 -1.0 2.0
   51    50    56    57   3.62500 -1.0 2.0
   51    50    56    60   3.62500 -1.0 2.0
   56    60    62    68   3.62500 -1.0 2.0
   56    60    62    70   3.62500 -1.0 2.0
   56    60    63    64   0.84100 -1.0 2.0
   57    56    60    62   3.62500 -1.0 2.0
   57    56    60    63   3.62500 -1.0 2.0
   60    62   -68    45   3.62500 -1.0 2.0
   60    62    68    69   3.62500 -1.0 2.0
   60    62    70    71   0.19500  1.0 1.0
   60    62    70    71   0.12000 -1.0 2.0
   60    62    70    72   0.19500  1.0 1.0
   60    62    70    72   0.12000 -1.0 2.0
   60    62    70    73   0.19500  1.0 1.0
   60    62    70    73   0.12000 -1.0 2.0
   62    60    63    64   0.84100 -1.0 2.0
   68    45    50    51   3.62500 -1.0 2.0
   68    45   -50    56   3.62500 -1.0 2.0
   68    62    70    71   0.19500  1.0 1.0
   68    62    70    71   0.12000 -1.0 2.0
   68    62    70    72   0.19500  1.0 1.0
   68    62    70    72   0.12000 -1.0 2.0
   68    62    70    73   0.19500  1.0 1.0
   68    62    70    73   0.12000 -1.0 2.0
   70    62    68    45   3.62500 -1.0 2.0
   70    62    68    69   3.62500 -1.0 2.0
   63    60    62    68   3.62500 -1.0 2.0
   63    60    62    70   3.62500 -1.0 2.0
   46    42    45    50   0.04300 -1.0 2.0
   46    42    45    68   0.04300 -1.0 2.0
   46    42    47    54  -0.48150  1.0 1.0
   46    42    47    54   0.09250 -1.0 2.0
   46    42    47    54  -0.12850  1.0 3.0
   46    52    58    59   3.62500 -1.0 2.0
   46    52    58    61   3.62500 -1.0 2.0
   52    46    74    65   3.62500 -1.0 2.0
   52    46    74    75   3.62500 -1.0 2.0
   52    58   -61    65   3.62500 -1.0 2.0
   52    58    61    66   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   53    52    58    61   3.62500 -1.0 2.0
   58    61    65    74   3.62500 -1.0 2.0
   58    61    65    76   3.62500 -1.0 2.0
   58    61    66    67   0.84100 -1.0 2.0
   59    58    61    65   3.62500 -1.0 2.0
   59    58    61    66   3.62500 -1.0 2.0
   61    65   -74    46   3.62500 -1.0 2.0
   61    65    74    75   3.62500 -1.0 2.0
   61    65    76    77   0.19500  1.0 1.0
   61    65    76    77   0.12000 -1.0 2.0
   61    65    76    78   0.19500  1.0 1.0
   61    65    76    78   0.12000 -1.0 2.0
   61    65    76    79   0.19500  1.0 1.0
   61    65    76    79   0.12000 -1.0 2.0
   65    61    66    67   0.84100 -1.0 2.0
   74    46    52    53   3.62500 -1.0 2.0
   74    46   -52    58   3.62500 -1.0 2.0
   74    65    76    77   0.19500  1.0 1.0
   74    65    76    77   0.12000 -1.0 2.0
   74    65    76    78   0.19500  1.0 1.0
   74    65    76    78   0.12000 -1.0 2.0
   74    65    76    79   0.19500  1.0 1.0
   74    65    76    79   0.12000 -1.0 2.0
   76    65    74    46   3.62500 -1.0 2.0
   76    65    74    75   3.62500 -1.0 2.0
   66    61    65    74   3.62500 -1.0 2.0
   66    61    65    76   3.62500 -1.0 2.0
   47    42    45    50   0.64500  1.0 1.0
   47    42    45    50   0.14800 -1.0 2.0
   47    42    45    50   0.20650  1.0 3.0
   47    42    45    68   0.64500  1.0 1.0
   47    42    45    68   0.14800 -1.0 2.0
   47    42    45    68   0.20650  1.0 3.0
   47    42    46    52   0.64500  1.0 1.0
   47    42    46    52   0.14800 -1.0 2.0
   47    42    46    52   0.20650  1.0 3.0
   47    42    46    74   0.64500  1.0 1.0
   47    42    46    74   0.14800 -1.0 2.0
   47    42    46    74   0.20650  1.0 3.0
   54    38    39    40   0.28850  1.0 1.0
   54    38    39    40   2.61350 -1.0 2.0
   54    38    39    40   0.78400  1.0 3.0
   54    38   -39    42  -0.18600  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    54   1.10000 -1.0 2.0
   38    42    39    40   1.10000 -1.0 2.0
   43    41    40    39   1.10000 -1.0 2.0
   40    44    43    48   1.10000 -1.0 2.0
   33    49    48    43   1.10000 -1.0 2.0
   50    68    45    42   4.00000 -1.0 2.0
   56    51    50    45   1.10000 -1.0 2.0
   60    57    56    50   1.10000 -1.0 2.0
   62    63    60    56   4.00000 -1.0 2.0
   68    70    62    60   4.00000 -1.0 2.0
   62    69    68    45   1.10000 -1.0 2.0
   52    74    46    42   4.00000 -1.0 2.0
   58    53    52    46   1.10000 -1.0 2.0
   61    59    58    52   1.10000 -1.0 2.0
   65    66    61    58   4.00000 -1.0 2.0
   74    76    65    61   4.00000 -1.0 2.0
   65    75    74    46   1.10000 -1.0 2.0
   47    55    54    38   1.10000 -1.0 2.0
END
