* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    144    218     424
    1     0 S   NP   _N1_     1    28.89298    94.74425   -19.96874
    2     1 S   H    _HN1     2     1.02782    81.66031   -82.45858
    3     1 S   H    _H1_     3     1.02966    93.95924    25.48713
    4     1 S   H    _H2_     4     1.02839    35.39606   139.62797
    5     1 S   CT   _CA1     5     1.50089   144.85104   160.35746
    6     5 S   HC   _HA1     6     1.09570   105.30217    46.45527
    7     5 S   CO3  _C1_     7     1.53814   112.43746   -73.89553
    8     7 S   O2Z  _O11     8     1.26337   115.07456   -42.82532
    9     7 S   O2Z  _O12     9     1.26243   115.00113   136.61627
   10     5 S   CT   _CB1    10     1.53117   107.45731   164.51054
   11    10 S   HC   HB11    11     1.09814   109.54427   -50.04372
   12    10 S   HC   HB12    12     1.09823   110.33698    66.59788
   13    10 S   CT   _CG1    13     1.52952   112.52268  -171.14414
   14    13 S   HC   HG11    14     1.09495   110.23490   -59.67706
   15    13 S   HC   HG12    15     1.09598   110.01677    59.60431
   16    13 S   C    _CD1    16     1.51652   112.42311   179.84934
   17    16 S   O    _OE1    17     1.22734   123.11045   -11.11347
   18    16 S   N    _N2_    18     1.38638   111.69657   169.39557
   19    18 S   H    _HN2    19     1.01595   119.30488     1.61689
   20    18 S   CT1  _CA2    20     1.46170   123.24753  -177.85306
   21    20 S   HC   _HA2    21     1.09749   109.16814   -12.95214
   22    20 S   C    _C2_    22     1.53448   108.98921  -128.43830
   23    22 S   O    _O2_    23     1.23020   122.15195  -150.79896
   24    20 S   CT   _CB2    32     1.53458   111.30450   108.71314
   25    24 S   HC   HB21    33     1.09386   109.78037    54.68198
   26    24 S   HC   HB22    34     1.09494   110.48476   173.86544
   27    22 S   N    _N3_    24     1.38523   113.45238    37.34339
   28    27 S   H    _HN3    25     1.01490   118.89156    -1.38183
   29    24 S   S    _SG2    35     1.82871   111.62119   -66.28993
   30    27 S   CT   _CA3    26     1.45421   123.38615   174.46158
   31    30 S   HC   HA31    27     1.09525   109.12546    27.37288
   32    30 S   HC   HA32    28     1.09473   107.16467   144.44794
   33    29 S   CT   _C7_    36     1.83265    99.63910   177.30252
   34    33 S   HC   _H3_    37     1.09516   108.23913    45.39591
   35    30 S   CO3  _C3_    29     1.52925   113.17184   -96.13468
   36    35 S   O2Z  _O31    30     1.26419   115.42793   -44.21815
   37    35 S   O2Z  _O32    31     1.26367   115.01799   136.78244
   38    33 S   C    _C8_    38     1.52399   108.64219   -74.92360
   39    38 S   O    _O35    39     1.22992   122.39924   -63.68821
   40    33 S   CT   _C6_    74     1.53291   110.36093   165.61573
   41    40 S   HC   _H9_    75     1.09749   110.72344    47.92520
   42    40 S   HC   _H10    76     1.09747   109.73500   166.18532
   43    38 S   N    _N4_    40     1.38504   112.91184   116.68319
   44    43 S   H    _H11    41     1.01530   119.79205    -1.28115
   45    40 S   CO4  _C5_    77     1.51319   113.02208   -75.10079
   46    45 S   O    _O34    78     1.22329   125.17336   -19.65033
   47    43 S   CT   _C9_    42     1.45573   123.24485   179.94065
   48    47 S   HC   _H12    43     1.09571   108.70470   -27.47502
   49    47 S   HC   _H13    44     1.09547   106.41158  -142.89563
   50    45 S   OS   _O33    79     1.36549   109.11817   162.03865
   51    47 S   CT1  _C10    45     1.53334   112.76550    95.46316
   52    51 S   HC   _H4_    46     1.09777   108.12206   176.27427
   53    50 S   CT   _C4_    80     1.43060   115.22938   179.39413
   54    53 S   HC   _H6_    81     1.09329   108.10791   179.22343
   55    53 S   HC   _H7_    82     1.09426   110.32196    60.52603
   56    53 S   HC   _H8_    83     1.09420   110.26071   -62.09503
   57    51 S   CO3  _C11    47     1.54311   110.18172    59.93174
   58    57 S   O2Z  _O37    48     1.26449   115.09787    56.08939
   59    57 S   O2Z  _O36    49     1.26399   115.74944  -124.36499
   60    51 S   N    _N5_    50     1.46282   111.68177   -66.72972
   61    60 S   H    _H14    51     1.01567   116.79208   103.46910
   62    60 S   C    _C12    52     1.38564   123.20267   -78.98705
   63    62 S   O    _O38    53     1.22998   124.19475     0.73966
   64    62 S   CT1  _C13    54     1.53032   112.70264  -177.64640
   65    64 S   HC   _H5_    55     1.09609   109.73675   -27.86353
   66    64 S   CT   _C14    56     1.53779   110.36443    94.88531
   67    66 S   HC   _H15    57     1.09825   110.50449   159.88644
   68    66 S   HC   _H16    58     1.09835   110.90903    43.19280
   69    64 S   NT   _N6_    71     1.46636   107.57972  -145.11311
   70    69 S   H    _H22    72     1.02196   109.22871   178.45022
   71    69 S   H    _H23    73     1.01987   109.38699    62.89135
   72    66 S   CA   _C15    59     1.51131   112.53267   -79.71626
   73    72 S   CA   _C16    60     1.40227   120.08712   -85.48665
   74    73 S   HA   _H17    61     1.08691   120.14271    -2.05166
   75    73 S   CA   _C17    62     1.39473   120.55402   177.86119
   76    75 S   HA   _H18    63     1.08608   119.94066  -179.73312
   77    75 S   CA   _C18    64     1.39121   119.53835    -0.07402
   78    77 S   CA   _C19    65     1.39253   120.78305     0.46478
   79    78 S   HA   _H19    66     1.08595   121.00409  -179.74589
   80    77 S   OH   _O39    69     1.36609   118.20907  -179.57387
   81    80 S   HO   _H21    70     0.97242   108.46840   175.78499
   82    72 S   CA   _C20    67     1.40163   120.81014    92.87803
   83    82 S   HA   _H20    68     1.08734   120.36668     1.33119
  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
  12   7   2   1   1  11   4   7   4   3   8   4   6   2  10   5
   4   4   9   6   3   2   1   1   5   2   1   7   3  10   4  10
   7  12   5   4   3   1   1   9   8   4   7   3   6   5   3   2
   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    50    53    43  
   42    45    46    50  
   45    46    50  
   44    47    48    49    51    52    57    60  
   47    48    49    51  
   46    50    53    54    55    56  
   50    53  
   48    49    51    52    57    58    59    60    61    62  
   49    51    52    57    60  
   51    52    57    60  
   53    54    55    56  
   52    57    58    59    60    61    62    63    64  
   57    58    59    60    61    62  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62  
   59    60  
   60  
   61    62    63    64    65    66    69  
   62    63    64  
   63    64    65    66    67    68    72    69    70    71  
   64    65    66    69  
   65    66    67    68    72    73    82    69    70    71  
   66    67    68    72    69    70    71  
   67    68    72    73    74    75    78    82    83    69    70    71  
   68    72    73    82    69  
   72    73    82    69  
   70    71    72  
   71  
    0  
   73    74    75    76    77    78    79    82    83  
   74    75    76    77    78    82    83    80  
   75    76    77    82  
   76    77    78    79    82    80    81  
   77    78    80  
   78    79    82    83    80    81  
   79    82    83    80    81  
   82    83    80  
   81    82  
    0  
   83  
    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   0.107500   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   44   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   490.000  1.335
   43    44   434.000  1.010
   43    47   337.000  1.449
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    57   317.000  1.522
   51    60   337.000  1.449
   57    58   656.000  1.250
   57    59   656.000  1.250
   60    61   434.000  1.010
   60    62   490.000  1.335
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   305.000  1.457
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   317.000  1.510
   72    73   469.000  1.400
   72    82   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   469.000  1.400
   77    80   450.000  1.364
   78    79   367.000  1.080
   78    82   469.000  1.400
   82    83   367.000  1.080
   80    81   553.000  0.945
   69    70   434.000  1.010
   69    71   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    50   214.000  1.327
   50    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    70.00000  116.60000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  119.80000
   38    43    47    50.00000  121.90000
   43    38    39    80.00000  122.90000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    51    70.00000  110.72300
   47    43    44    38.00000  118.40000
   47    51    52    37.50000  110.70000
   47    51    57    63.00000  111.10000
   47    51    60    80.00000  109.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    57    58    70.00000  117.00000
   51    57    59    70.00000  117.00000
   51    60    61    38.00000  118.40000
   51    60    62    50.00000  121.90000
   57    51    52    35.00000  109.50000
   59    57    58    80.00000  126.00000
   60    51    52    35.00000  109.50000
   60    51    57    63.00000  110.10000
   60    62    63    80.00000  122.90000
   60    62    64    70.00000  116.60000
   62    60    61    35.00000  119.80000
   62    64    65    35.00000  109.50000
   62    64    66    63.00000  111.10000
   62    64    69    75.00000  111.54000
   64    62    63    80.00000  120.40000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    72    63.00000  114.00000
   64    69    70    50.00000  111.55300
   64    69    71    50.00000  111.55300
   66    64    65    37.50000  110.70000
   66    72    73    70.00000  120.00000
   66    72    82    70.00000  120.00000
   68    66    67    33.00000  107.80000
   72    66    67    35.00000  109.50000
   72    66    68    35.00000  109.50000
   72    73    74    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    82    78    63.00000  120.00000
   72    82    83    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    63.00000  120.00000
   75    77    80    70.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  120.00000
   77    78    82    63.00000  120.00000
   77    80    81    35.00000  113.00000
   78    82    83    35.00000  120.00000
   82    72    73    63.00000  120.00000
   82    78    79    35.00000  120.00000
   80    77    78    70.00000  120.00000
   69    64    65    50.00000  109.55000
   69    64    66    80.00000  111.22000
   71    69    70    43.60000  106.40000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    45    46    80.00000  120.40000
   40    45    50    81.00000  111.40000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    50    53    83.00000  116.90000
   50    45    46    83.00000  123.40000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.30150 -1.0 2.0
   29    33    38    43   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   2.45000 -1.0 2.0
   33    38    43    47   1.49850  1.0 1.0
   33    38    43    47   1.53950 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    50   0.36750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    45   0.11950  1.0 1.0
   38    33    40    45   0.20300 -1.0 2.0
   38    33    40    45  -0.70800  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43    47    51  -0.43950  1.0 1.0
   38    43    47    51  -0.08100 -1.0 2.0
   38    43    47    51   0.03350  1.0 3.0
   39    38    43    44   2.45000 -1.0 2.0
   39    38    43    47   3.04450 -1.0 2.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    57  -4.61400  1.0 1.0
   43    47    51    60   2.20050  1.0 1.0
   43    47    51    60   0.63450 -1.0 2.0
   43    47    51    60  -0.91300  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    51   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59   0.00000  1.0 1.0
   47    51    60    61   0.00000  1.0 1.0
   47    51    60    62   0.25950  1.0 1.0
   47    51    60    62   0.43850 -1.0 2.0
   47    51    60    62   2.61650  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    57  -0.03800  1.0 3.0
   48    47    51    60   0.23200  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    57  -0.03800  1.0 3.0
   49    47    51    60   0.23200  1.0 3.0
   51    60    62    63   3.04450 -1.0 2.0
   51    60    62    64   1.15000  1.0 1.0
   51    60    62    64   3.04450 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59   0.00000  1.0 1.0
   52    51    60    61   0.00000  1.0 1.0
   52    51    60    62   0.00000  1.0 1.0
   57    51    60    61   0.00000  1.0 1.0
   57    51    60    62  -0.29800  1.0 1.0
   57    51    60    62   0.13950 -1.0 2.0
   57    51    60    62  -2.45650  1.0 3.0
   60    51    57    58   0.00000  1.0 1.0
   60    51    57    59   0.00000  1.0 1.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    66   0.93250  1.0 1.0
   60    62    64    66   0.04450 -1.0 2.0
   60    62    64    66   0.17550  1.0 3.0
   60    62    64    69   0.00000  1.0 1.0
   61    60    62    63   2.45000 -1.0 2.0
   61    60    62    64   2.45000 -1.0 2.0
   62    64    66    67  -0.03800  1.0 3.0
   62    64    66    68  -0.03800  1.0 3.0
   62    64    66    72  -0.84850  1.0 1.0
   62    64    66    72  -0.22800 -1.0 2.0
   62    64    66    72   0.29250  1.0 3.0
   62    64    69    70   0.21900  1.0 1.0
   62    64    69    70  -0.24900 -1.0 2.0
   62    64    69    70   0.15200  1.0 3.0
   62    64    69    71   0.21900  1.0 1.0
   62    64    69    71  -0.24900 -1.0 2.0
   62    64    69    71   0.15200  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    69   0.30150 -1.0 2.0
   64    66    72    73   0.00000  1.0 1.0
   64    66    72    82   0.00000  1.0 1.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    72   0.23100  1.0 3.0
   65    64    69    70   0.20000  1.0 3.0
   65    64    69    71   0.20000  1.0 3.0
   66    64    69    70  -0.05950  1.0 1.0
   66    64    69    70   0.08850 -1.0 2.0
   66    64    69    70   0.11750  1.0 3.0
   66    64    69    71  -0.05950  1.0 1.0
   66    64    69    71   0.08850 -1.0 2.0
   66    64    69    71   0.11750  1.0 3.0
   66    72    73    74   3.62500 -1.0 2.0
   66    72    73    75   3.62500 -1.0 2.0
   66    72    82    78   3.62500 -1.0 2.0
   66    72    82    83   3.62500 -1.0 2.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    82   0.00000  1.0 1.0
   68    66    72    73   0.00000  1.0 1.0
   68    66    72    82   0.00000  1.0 1.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    77   3.62500 -1.0 2.0
   73    72    82    78   3.62500 -1.0 2.0
   73    72    82    83   3.62500 -1.0 2.0
   73    75   -77    78   3.62500 -1.0 2.0
   73    75    77    80   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    78    79   3.62500 -1.0 2.0
   75    77    78    82   3.62500 -1.0 2.0
   75    77    80    81   0.84100 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    80   3.62500 -1.0 2.0
   77    78   -82    72   3.62500 -1.0 2.0
   77    78    82    83   3.62500 -1.0 2.0
   78    77    80    81   0.84100 -1.0 2.0
   79    78    82    72   3.62500 -1.0 2.0
   79    78    82    83   3.62500 -1.0 2.0
   82    72    73    74   3.62500 -1.0 2.0
   82    72   -73    75   3.62500 -1.0 2.0
   80    77    78    79   3.62500 -1.0 2.0
   80    77    78    82   3.62500 -1.0 2.0
   69    64    66    67   0.15000  1.0 3.0
   69    64    66    68   0.15000  1.0 3.0
   69    64    66    72   0.83750  1.0 1.0
   69    64    66    72   0.32200 -1.0 2.0
   69    64    66    72   0.70600  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   1.39750  1.0 1.0
   40    33    38    43  -0.07950 -1.0 2.0
   40    33    38    43  -0.18750  1.0 3.0
   40    45    50    53   1.63150  1.0 1.0
   40    45    50    53   2.92000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    50   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    50   0.00000  1.0 1.0
   45    50    53    54   0.08050  1.0 3.0
   45    50    53    55   0.08050  1.0 3.0
   45    50    53    56   0.08050  1.0 3.0
   46    45    50    53   3.00000 -1.0 2.0
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    43    38    39  10.50000 -1.0 2.0
   44    38    43    47   1.00000 -1.0 2.0
   58    51    57    59  10.50000 -1.0 2.0
   61    62    60    51   1.00000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
   73    82    72    66   4.00000 -1.0 2.0
   75    74    73    72   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   78    80    77    75   4.00000 -1.0 2.0
   82    79    78    77   1.10000 -1.0 2.0
   78    83    82    72   1.10000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
END
