* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    147    231     435
    1     0 S   NP   _N1_     1    29.14597    98.03737   -22.74047
    2     1 S   H    _HN1     2     1.02830   118.08363  -126.42311
    3     1 S   H    _H1_     3     1.02854    68.71160   -26.54475
    4     1 S   H    _H2_     4     1.02939    38.76046   150.04853
    5     1 S   CT   _CA1     5     1.50487   127.06097    74.63520
    6     5 S   HC   _HA1     6     1.09690   104.58771   103.16756
    7     5 S   CO3  _C1_     7     1.54313   110.89243   -12.84690
    8     7 S   O2Z  _O11     8     1.26022   116.69209  -114.34801
    9     7 S   O2Z  _O12     9     1.26572   113.77788    64.47800
   10     5 S   CT   _CB1    10     1.53050   106.98613  -140.79377
   11    10 S   HC   HB11    11     1.09862   109.88875   -42.65394
   12    10 S   HC   HB12    12     1.09763   110.29896    73.92520
   13    10 S   CT   _CG1    13     1.53077   112.37896  -163.05480
   14    13 S   HC   HG11    14     1.09482   111.27552   -63.24183
   15    13 S   HC   HG12    15     1.09640   109.51222    55.91898
   16    13 S   C    _CD1    16     1.51751   111.35394   176.93931
   17    16 S   O    _OE1    17     1.22804   122.85748    25.28387
   18    16 S   N    _N2_    18     1.38536   112.30597  -155.59470
   19    18 S   H    _HN2    19     1.01624   119.22696     2.84675
   20    18 S   CT1  _CA2    20     1.46376   123.26208   179.07571
   21    20 S   HC   _HA2    21     1.09732   109.30533     8.97588
   22    20 S   C    _C2_    22     1.53599   109.06656  -106.79932
   23    22 S   O    _O2_    23     1.23080   122.18462  -148.74480
   24    20 S   CT   _CB2    32     1.53282   111.14885   130.74145
   25    24 S   HC   HB21    33     1.09500   109.21063    58.32542
   26    24 S   HC   HB22    34     1.09492   110.99555   177.03166
   27    22 S   N    _N3_    24     1.38311   113.85974    38.82559
   28    27 S   H    _HN3    25     1.01534   119.62337    -3.50867
   29    24 S   S    _SG2    35     1.82727   111.13439   -62.97898
   30    27 S   CT   _CA3    26     1.45286   123.32559   177.11989
   31    30 S   HC   HA31    27     1.09549   107.52781   -63.52420
   32    30 S   HC   HA32    28     1.09551   107.97019    52.92429
   33    29 S   CT   _C20    36     1.82130    99.41044   154.68672
   34    33 S   HC   _H21    37     1.09135   110.69957   -23.66351
   35    33 S   HC   _H22    38     1.09433   107.24293    92.23209
   36    30 S   CO3  _C3_    29     1.53000   114.02861   174.81798
   37    36 S   O2Z  _O31    30     1.26397   116.08175    -3.33043
   38    36 S   O2Z  _O32    31     1.26432   114.43252   176.73325
   39    33 S   CM   _C18    39     1.50290   110.81008  -145.08063
   40    39 S   CMA  _C19    40     1.35081   126.71813  -119.80093
   41    40 S   OM   _O37    41     1.26304   128.00486    -1.02870
   42    40 S   OS   _O36    42     1.41947   109.83618   177.00082
   43    42 S   CT   _C7_    43     1.44155   106.65992    16.35746
   44    43 S   HC   _H4_    44     1.09498   106.19306    95.72608
   45    43 S   CT   _C6_    45     1.53168   107.61818  -146.09401
   46    45 S   HC   _H11    46     1.09967   108.29242    59.53896
   47    45 S   HC   _H12    47     1.09911   108.08177   -52.92797
   48    39 S   CT   _C8_    61     1.50383   122.26442    58.12904
   49    48 S   HC   _H5_    62     1.09762   106.26365   -77.08083
   50    45 S   CT   _C5_    48     1.54712   117.46996  -176.08073
   51    50 S   HC   _H3_    49     1.09561   107.88057    73.11281
   52    50 S   CT   _C11    50     1.55060   112.74838   -48.54479
   53    52 S   HC   _H7_    51     1.09935   107.65081   -49.70081
   54    50 S   CT   _C4_    74     1.53820   107.50888  -172.91379
   55    54 S   HC   _H8_    75     1.09533   111.28534    70.64836
   56    54 S   HC   _H9_    76     1.09575   110.85364   -49.51615
   57    54 S   HC   _H10    77     1.09433   111.34930  -168.19732
   58    52 S   CM   _C12    52     1.50979   117.15724  -166.02941
   59    58 S   HC   _H13    53     1.08219   123.40980    41.45832
   60    58 S   CM   _C13    54     1.33409   114.50582  -146.60918
   61    60 S   HC   _H14    55     1.07520   128.73371  -174.34431
   62    60 S   CO4  _C14    56     1.46990   105.32613     4.83983
   63    62 S   O    _O33    57     1.22140   122.20782  -170.00607
   64    52 S   CT   _C10    58     1.56408   114.52279    73.70605
   65    64 S   CT   _C9_    59     1.55913   113.83518   -88.39485
   66    65 S   HC   _H6_    60     1.09711   109.29385   -90.45822
   67    64 S   CT   _C15    70     1.55119   113.64016    43.34462
   68    67 S   HC   _H15    71     1.09238   112.50096   -76.69568
   69    67 S   HC   _H16    72     1.09679   111.32209   162.55441
   70    67 S   HC   _H17    73     1.09669   111.86100    44.19620
   71    65 S   OS   _O34    63     1.45256   109.04269   150.09723
   72    71 S   CO4  _C16    64     1.36185   118.96099   103.39424
   73    72 S   O    _O35    65     1.22268   126.78816     1.95735
   74    72 S   CT   _C17    66     1.49830   109.27502  -178.76520
   75    74 S   HC   _H18    67     1.09288   109.78022   -62.67920
   76    74 S   HC   _H19    68     1.09375   109.36987   178.15899
   77    74 S   HC   _H20    69     1.09299   109.83871    59.21955
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  14   7  15   6   5  10
   4  14   8  19   8   5   2   1   1   8   4   6   3   9   3   8
   9   3   4   2   1   1   6   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    65    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    64    65    66    48    49    71  
   41    42    43    44    45    65    48    49  
   42    43    48  
   43    44    45    46    47    50    65    48    49  
   44    45    46    47    50    51    52    64    65    66    48    49    71    54  
   45    46    47    50    65    48    49  
   46    47    50    51    52    53    58    64    65    48    49    54    55    56    57  
   47    50    51    52    48    54  
   50    51    52    48    54  
   49    71    72    67    50    52    62    64    65    66  
   71    64    65    66  
   51    52    53    58    59    60    62    64    65    67    54    55    56    57  
   52    53    58    64    54    55    56    57  
   53    58    59    60    61    62    63    64    65    66    71    67    68    69    70    54    55    56    57  
   58    59    60    62    64    65    67    54  
   55    56    57    58    64  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    67  
   60    61    62    64  
   61    62    63    64    65    67  
   62    63    64  
   63    64    65    66    71    67    68    69    70  
   64    65    67  
   65    66    71    72    67    68    69    70  
   66    71    72    73    74    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    58   317.000  1.510
   52    64   268.000  1.529
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   340.000  1.080
   60    62   320.000  1.462
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    48   268.000  1.529
   65    71   320.000  1.410
   48    49   340.000  1.090
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    65    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    58.35000  112.70000
   43    48    65    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    58.35000  112.70000
   45    50    54    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    58    70.00000  112.02700
   50    52    64    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    58    59    35.00000  117.00000
   52    58    60    70.00000  124.00000
   52    64    62    63.00000  111.10000
   52    64    65    58.35000  112.70000
   52    64    67    58.35000  112.70000
   58    52    53    35.00000  109.50000
   58    60    61    35.00000  120.00000
   58    60    62    65.00000  118.96000
   60    58    59    35.00000  120.00000
   60    62    63    80.00000  123.72100
   60    62    64    65.00000  118.62400
   62    60    61    40.00000  117.72500
   62    64    65    63.00000  111.10000
   62    64    67    63.00000  111.10000
   64    52    53    37.50000  110.70000
   64    52    58    70.00000  112.02700
   64    62    63    80.00000  120.40000
   64    65    66    37.50000  110.70000
   64    65    48    58.35000  112.70000
   64    65    71    50.00000  109.50000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    48    49    37.50000  110.70000
   65    71    72    83.00000  116.90000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    65    66    37.50000  110.70000
   71    65    66    35.00000  109.50000
   71    65    48    50.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    81.00000  111.40000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   74    72    73    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   67    64    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    65   0.46850  1.0 1.0
   33    39    48    65   0.08550 -1.0 2.0
   33    39    48    65   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    65   0.09850  1.0 1.0
   40    39    48    65   0.15250 -1.0 2.0
   40    39    48    65  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.62750  1.0 1.0
   42    43    45    50  -0.30950 -1.0 2.0
   42    43    45    50   0.27300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    65   0.62750  1.0 1.0
   42    43    48    65  -0.30950 -1.0 2.0
   42    43    48    65   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.15000  1.0 3.0
   43    45    50    52   0.56750  1.0 1.0
   43    45    50    52  -0.07550 -1.0 2.0
   43    45    50    52   0.20000  1.0 3.0
   43    45    50    54   0.56750  1.0 1.0
   43    45    50    54  -0.07550 -1.0 2.0
   43    45    50    54   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    65   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    65   0.56750  1.0 1.0
   45    43    48    65  -0.07550 -1.0 2.0
   45    43    48    65   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    52    53   0.15000  1.0 3.0
   45    50    52    58   0.34400  1.0 1.0
   45    50    52    58   0.09450 -1.0 2.0
   45    50    52    58   0.11100  1.0 3.0
   45    50    52    64   0.56750  1.0 1.0
   45    50    52    64  -0.07550 -1.0 2.0
   45    50    52    64   0.20000  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    56   0.15000  1.0 3.0
   45    50    54    57   0.15000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   50    52    58    59   0.00000  1.0 1.0
   50    52    58    60   0.09850  1.0 1.0
   50    52    58    60   0.15250 -1.0 2.0
   50    52    58    60  -0.50650  1.0 3.0
   50    52    64    62  -0.95700  1.0 1.0
   50    52    64    62  -0.18200 -1.0 2.0
   50    52    64    62   0.29450  1.0 3.0
   50    52    64    65   0.56750  1.0 1.0
   50    52    64    65  -0.07550 -1.0 2.0
   50    52    64    65   0.20000  1.0 3.0
   50    52    64    67   0.56750  1.0 1.0
   50    52    64    67  -0.07550 -1.0 2.0
   50    52    64    67   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    58   0.15000  1.0 3.0
   51    50    52    64   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   52    58    60    61   7.00000 -1.0 2.0
   52    58   -60    62   7.00000 -1.0 2.0
   52    64    65    66   0.15000  1.0 3.0
   52    64    65    48   0.56750  1.0 1.0
   52    64    65    48  -0.07550 -1.0 2.0
   52    64    65    48   0.20000  1.0 3.0
   52    64    65    71   0.62750  1.0 1.0
   52    64    65    71  -0.30950 -1.0 2.0
   52    64    65    71   0.27300  1.0 3.0
   52    64    67    68   0.15000  1.0 3.0
   52    64    67    69   0.15000  1.0 3.0
   52    64    67    70   0.15000  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    64    62  -0.11250  1.0 3.0
   53    52    64    65   0.15000  1.0 3.0
   53    52    64    67   0.15000  1.0 3.0
   58    52   -64    62  -0.98800  1.0 1.0
   58    52   -64    62   0.48800 -1.0 2.0
   58    52   -64    62   0.76800  1.0 3.0
   58    52    64    65   0.34400  1.0 1.0
   58    52    64    65   0.09450 -1.0 2.0
   58    52    64    65   0.11100  1.0 3.0
   58    52    64    67   0.34400  1.0 1.0
   58    52    64    67   0.09450 -1.0 2.0
   58    52    64    67   0.11100  1.0 3.0
   58    60    62    63   1.00000 -1.0 2.0
   58    60   -62    64  -0.33500  1.0 1.0
   58    60   -62    64   1.06600 -1.0 2.0
   58    60   -62    64  -0.14000  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    62   -64    52   0.65300  1.0 1.0
   60    62   -64    52  -0.03850 -1.0 2.0
   60    62   -64    52   0.33900  1.0 3.0
   60    62    64    65   0.65300  1.0 1.0
   60    62    64    65  -0.03850 -1.0 2.0
   60    62    64    65   0.33900  1.0 3.0
   60    62    64    67   0.65300  1.0 1.0
   60    62    64    67  -0.03850 -1.0 2.0
   60    62    64    67   0.33900  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.04550  1.0 1.0
   61    60    62    64   0.83000 -1.0 2.0
   61    60    62    64  -0.04000  1.0 3.0
   62    64    65    66  -0.11250  1.0 3.0
   62    64    65    48  -0.95700  1.0 1.0
   62    64    65    48  -0.18200 -1.0 2.0
   62    64    65    48   0.29450  1.0 3.0
   62    64    65    71  -0.09450  1.0 1.0
   62    64    65    71  -1.12950 -1.0 2.0
   62    64    65    71   0.54000  1.0 3.0
   62    64    67    68  -0.11250  1.0 3.0
   62    64    67    69  -0.11250  1.0 3.0
   62    64    67    70  -0.11250  1.0 3.0
   63    62    64    52   0.30150 -1.0 2.0
   63    62    64    65   0.30150 -1.0 2.0
   63    62    64    67   0.30150 -1.0 2.0
   64    52    58    59   0.00000  1.0 1.0
   64    52   -58    60   0.09850  1.0 1.0
   64    52   -58    60   0.15250 -1.0 2.0
   64    52   -58    60  -0.50650  1.0 3.0
   64    65    48    39   0.34400  1.0 1.0
   64    65    48    39   0.09450 -1.0 2.0
   64    65    48    39   0.11100  1.0 3.0
   64    65    48    43   0.56750  1.0 1.0
   64    65    48    43  -0.07550 -1.0 2.0
   64    65    48    43   0.20000  1.0 3.0
   64    65    48    49   0.15000  1.0 3.0
   64    65    71    72  -0.25900  1.0 1.0
   64    65    71    72  -0.47000 -1.0 2.0
   64    65    71    72   0.11750  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    71    72    73   3.00000 -1.0 2.0
   65    71    72    74   1.63150  1.0 1.0
   65    71    72    74   2.92000 -1.0 2.0
   66    65    48    39   0.15000  1.0 3.0
   66    65    48    43   0.15000  1.0 3.0
   66    65    48    49   0.15000  1.0 3.0
   66    65    71    72   0.08050  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.56750  1.0 1.0
   48    43    45    50  -0.07550 -1.0 2.0
   48    43    45    50   0.20000  1.0 3.0
   48    65    71    72  -0.25900  1.0 1.0
   48    65    71    72  -0.47000 -1.0 2.0
   48    65    71    72   0.11750  1.0 3.0
   71    65    48    39   0.61850  1.0 1.0
   71    65    48    39  -0.22750 -1.0 2.0
   71    65    48    39   0.15300  1.0 3.0
   71    65    48    43   0.62750  1.0 1.0
   71    65    48    43  -0.30950 -1.0 2.0
   71    65    48    43   0.27300  1.0 3.0
   71    65    48    49   0.23400  1.0 3.0
   71    72    74    75   0.00000  1.0 1.0
   71    72    74    76   0.00000  1.0 1.0
   71    72    74    77   0.00000  1.0 1.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    74    77   0.00000  1.0 1.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    48   0.56750  1.0 1.0
   67    64    65    48  -0.07550 -1.0 2.0
   67    64    65    48   0.20000  1.0 3.0
   67    64    65    71   0.62750  1.0 1.0
   67    64    65    71  -0.30950 -1.0 2.0
   67    64    65    71   0.27300  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    58   0.34400  1.0 1.0
   54    50    52    58   0.09450 -1.0 2.0
   54    50    52    58   0.11100  1.0 3.0
   54    50    52    64   0.56750  1.0 1.0
   54    50    52    64  -0.07550 -1.0 2.0
   54    50    52    64   0.20000  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
   37    30    36    38  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   52    59    58    60   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
END
