* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    150    238     444
    1     0 S   NP   _N1_     1    28.69274    95.56998   -20.16131
    2     1 S   H    _HN1     2     1.02766    83.88987   -67.73913
    3     1 S   H    _H1_     3     1.02962    89.49890    40.82090
    4     1 S   H    _H2_     4     1.02827    36.75819   160.78194
    5     1 S   CT   _CA1     5     1.50203   147.23564   169.61263
    6     5 S   HC   _HA1     6     1.09581   105.11784    53.44556
    7     5 S   CO3  _C1_     7     1.53838   112.48627   -66.39181
    8     7 S   O2Z  _O11     8     1.26364   115.00848   -37.34829
    9     7 S   O2Z  _O12     9     1.26266   114.93399   141.44928
   10     5 S   CT   _CB1    10     1.53084   107.33086   171.21770
   11    10 S   HC   HB11    11     1.09817   109.17921   -50.19580
   12    10 S   HC   HB12    12     1.09809   110.38881    66.25637
   13    10 S   CT   _CG1    13     1.52992   112.83715  -171.38550
   14    13 S   HC   HG11    14     1.09560   110.34380   -64.79391
   15    13 S   HC   HG12    15     1.09649   110.09199    54.29034
   16    13 S   C    _CD1    16     1.51868   112.35254   174.22898
   17    16 S   O    _OE1    17     1.22728   123.25083   -10.74706
   18    16 S   N    _N2_    18     1.38612   111.67294   170.42026
   19    18 S   H    _HN2    19     1.01594   118.88029    -0.40926
   20    18 S   CT1  _CA2    20     1.46249   123.53012   179.57479
   21    20 S   HC   _HA2    21     1.09736   109.33524   -16.76746
   22    20 S   C    _C2_    22     1.53429   108.05867  -132.34623
   23    22 S   O    _O2_    23     1.23007   122.31379  -144.94862
   24    20 S   CT   _CB2    32     1.53384   111.42274   105.60865
   25    24 S   HC   HB21    33     1.09512   109.79654    53.45327
   26    24 S   HC   HB22    34     1.09514   110.74436   171.71904
   27    22 S   N    _N3_    24     1.38530   113.28651    42.34050
   28    27 S   H    _HN3    25     1.01536   118.91056    -0.52039
   29    24 S   S    _SG2    35     1.82866   111.75109   -69.54346
   30    27 S   CT   _CA3    26     1.45445   123.43013   175.17444
   31    30 S   HC   HA31    27     1.09525   109.21079    24.81255
   32    30 S   HC   HA32    28     1.09496   107.12612   141.81272
   33    29 S   CT   _C18    36     1.85949   100.21173   143.71796
   34    33 S   HC   _H5_    37     1.09296   104.17758    36.14510
   35    30 S   CO3  _C3_    29     1.52928   113.14285   -98.64724
   36    35 S   O2Z  _O31    30     1.26402   115.42356   -44.12281
   37    35 S   O2Z  _O32    31     1.26358   114.97147   136.82084
   38    33 S   CT   _C17    38     1.52969   107.76891   -79.60025
   39    38 S   HC   _H17    39     1.09523   111.27958   170.10115
   40    38 S   HC   _H18    40     1.09553   112.21559    51.11155
   41    38 S   CO4  _C16    41     1.50925   109.96155   -70.33818
   42    41 S   O    _O34    42     1.22976   121.59278   128.00537
   43    41 S   CT   _C15    43     1.50676   116.57080   -57.12870
   44    43 S   HC   _H15    44     1.09554   108.47057   168.20333
   45    43 S   HC   _H16    45     1.09623   106.22840   -75.52992
   46    43 S   CT   _C14    46     1.52496   113.45809    45.14497
   47    46 S   HC   _H4_    47     1.10231   105.93032  -158.51804
   48    33 S   CT   _C7_    48     1.57170   115.77801   155.44081
   49    46 S   OS   _O33    57     1.44779   110.78870    88.87258
   50    48 S   CR3  _C8_    49     1.50025   113.17311   -34.45768
   51    48 S   CT   _C6_    71     1.55168   112.66532  -162.83605
   52    51 S   HC   _H11    72     1.09736   108.57739   -62.94232
   53    51 S   HC   _H12    73     1.09958   109.72001  -177.48487
   54    50 S   CA   _C9_    50     1.38530   129.89994   -77.07255
   55    54 S   CA   _C10    51     1.40439   117.08853   176.51457
   56    55 S   HA   _H13    52     1.08861   120.14744  -179.51342
   57    54 S   CT   _C20    63     1.49836   122.20548    -0.76796
   58    57 S   HC   _H22    64     1.09615   111.19933    66.51475
   59    57 S   HC   _H23    65     1.09649   109.10959  -175.25542
   60    55 S   CA   _C11    53     1.40865   121.65944    -0.36262
   61    60 S   HA   _H14    54     1.08614   117.59198  -179.61641
   62    57 S   NP   _N4_    66     1.51654   114.55592   -56.23822
   63    62 S   H    _H3_    67     1.02931   107.36075   -40.25604
   64    60 S   CA   _C12    55     1.39529   120.72533    -0.20077
   65    62 S   CT   _C5_    68     1.51183   114.15093    79.22868
   66    65 S   HC   _H9_    69     1.09648   106.34917   169.68710
   67    65 S   HC   _H10    70     1.09335   108.28902    54.14784
   68    62 S   CT   _C4_    74     1.51086   110.76997  -155.28348
   69    68 S   HC   _H6_    75     1.09324   108.47138   -63.06106
   70    68 S   HC   _H7_    76     1.09331   108.17348    57.71018
   71    68 S   HC   _H8_    77     1.09326   108.21201   176.18294
   72    50 S   CA   _C13    56     1.39804   109.20170    99.52597
   73    64 S   OS   _O35    58     1.36420   126.40387  -179.30339
   74    73 S   CT   _C19    59     1.42241   116.75046     1.27626
   75    74 S   HC   _H19    60     1.09427   107.76909   179.30255
   76    74 S   HC   _H20    61     1.09507   111.15702    61.50166
   77    74 S   HC   _H21    62     1.09501   111.10799   -62.92813
  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  10   5   4   3
  18   8   2   1   1  11   5   4   8   4   9   5   4  11   5  14
   7  15  11   5   4  13  10   4  13   5   4   5   3   8   7   6
   6   2   1   3   2   1   1   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    48    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    50    54    72    49    65    51    52    53  
   38    39    40    41    46    48    50    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    48    50    51  
   40    41    42    43    48  
   41    42    43    48  
   42    43    44    45    46    47    48    49  
   43    44    45    46  
   44    45    46    47    48    50    72    49    51  
   45    46    47    48    49  
   46    47    48    49  
   47    48    50    54    64    72    49    65    51    52    53  
   48    50    72    49    51  
   50    54    55    64    72    49    57    62    65    66    67    51    52    53  
   73    51    50    54    60    64    72  
   54    55    56    60    64    72    73    57    58    59    62    65    51    52    53  
   52    53    68    54    57    62    63    65    66    67    72  
   53    62    65    66    67  
   62    65    66    67  
   55    56    60    61    64    72    57    58    59    62    63    65    68  
   56    60    61    64    72    73    57    58    59    62  
   60    61    64    57  
   58    59    62    63    65    66    67    68    69    70    71    60    72  
   59    62    63    65    68  
   62    63    65    68  
   61    64    72    73    74  
   64    72    73  
   63    65    66    67    68    69    70    71  
   65    66    67    68    69    70    71  
   72    73    74    75    76    77  
   66    67    68    69    70    71  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74  
   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   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   63   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   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    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   268.000  1.529
   33    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   320.000  1.410
   48    50   317.000  1.510
   48    51   268.000  1.529
   50    54   490.000  1.398
   50    72   490.000  1.398
   54    55   469.000  1.400
   54    57   317.000  1.510
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    72   469.000  1.400
   64    73   450.000  1.364
   72    49   450.000  1.364
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   367.000  1.471
   62    63   434.000  1.010
   62    65   367.000  1.471
   62    68   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    48    46    58.35000  112.70000
   33    48    50    70.00000  112.17500
   33    48    51    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    49    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    50    70.00000  112.17500
   46    48    51    58.35000  112.70000
   46    49    72    75.00000  111.00000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    50    54    70.00000  120.00000
   48    50    72    70.00000  120.00000
   48    51    65    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   50    54    55    70.00000  112.88000
   50    54    57    80.00000  105.07000
   50    72    64    70.00000  112.88000
   50    72    49    70.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    60    63.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    75.00000  110.83300
   55    60    61    35.00000  120.00000
   55    60    64    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    64    72    63.00000  120.00000
   60    64    73    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    72    49    70.00000  120.00000
   64    73    74    75.00000  111.00000
   72    50    54    60.00000  130.80000
   49    46    47    35.00000  109.50000
   49    46    48    50.00000  109.50000
   73    64    72    70.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   57    54    55    70.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    65    75.00000  113.01200
   57    62    68    75.00000  113.01200
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    51    80.00000  111.20000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    35.00000  109.50000
   65    62    63    35.00000  109.50000
   65    51    52    37.50000  110.70000
   65    51    53    37.50000  110.70000
   67    65    66    33.00000  107.80000
   51    48    50    70.00000  112.17500
   51    65    66    37.50000  110.70000
   51    65    67    37.50000  110.70000
   53    51    52    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    65    75.00000  113.01200
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    48    46   0.44750  1.0 1.0
   29    33    48    46  -0.17800 -1.0 2.0
   29    33    48    46   0.20200  1.0 3.0
   29    33    48    50   0.56750  1.0 1.0
   29    33    48    50  -0.07550 -1.0 2.0
   29    33    48    50   0.20000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    48    50    54   0.04150 -1.0 2.0
   33    48    50    72   0.04150 -1.0 2.0
   33    48    51    65   0.56750  1.0 1.0
   33    48    51    65  -0.07550 -1.0 2.0
   33    48    51    65   0.20000  1.0 3.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    48    46   0.15000  1.0 3.0
   34    33    48    50   0.43200  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33    48    46   0.56750  1.0 1.0
   38    33    48    46  -0.07550 -1.0 2.0
   38    33    48    46   0.20000  1.0 3.0
   38    33    48    50  -0.03700  1.0 1.0
   38    33    48    50   0.37200 -1.0 2.0
   38    33    48    50  -0.47300  1.0 3.0
   38    33    48    51   0.56750  1.0 1.0
   38    33    48    51  -0.07550 -1.0 2.0
   38    33    48    51   0.20000  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    48  -0.95700  1.0 1.0
   41    43    46    48  -0.18200 -1.0 2.0
   41    43    46    48   0.29450  1.0 3.0
   41    43    46    49  -0.09450  1.0 1.0
   41    43    46    49  -1.12950 -1.0 2.0
   41    43    46    49   0.54000  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46   -48    33   0.56750  1.0 1.0
   43    46   -48    33  -0.07550 -1.0 2.0
   43    46   -48    33   0.20000  1.0 3.0
   43    46    48    50  -0.03700  1.0 1.0
   43    46    48    50   0.37200 -1.0 2.0
   43    46    48    50  -0.47300  1.0 3.0
   43    46    48    51   0.56750  1.0 1.0
   43    46    48    51  -0.07550 -1.0 2.0
   43    46    48    51   0.20000  1.0 3.0
   43    46    49    72  -0.32850  1.0 1.0
   43    46    49    72  -0.35800 -1.0 2.0
   43    46    49    72   0.33950  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.23400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.23400  1.0 3.0
   46    48    50    54   0.04150 -1.0 2.0
   46    48   -50    72   0.04150 -1.0 2.0
   46    48    51    65   0.56750  1.0 1.0
   46    48    51    65  -0.07550 -1.0 2.0
   46    48    51    65   0.20000  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   47    46    48    33   0.15000  1.0 3.0
   47    46    48    50   0.43200  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    49    72   0.08050  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41  -0.95700  1.0 1.0
   48    33   -38    41  -0.18200 -1.0 2.0
   48    33   -38    41   0.29450  1.0 3.0
   48    46   -49    72  -0.32850  1.0 1.0
   48    46   -49    72  -0.35800 -1.0 2.0
   48    46   -49    72   0.33950  1.0 3.0
   48    50    54    55   3.62500 -1.0 2.0
   48    50    54    57   3.62500 -1.0 2.0
   48    50    72    64   3.62500 -1.0 2.0
   48    50   -72    49   3.62500 -1.0 2.0
   50    48    51    65  -0.03700  1.0 1.0
   50    48    51    65   0.37200 -1.0 2.0
   50    48    51    65  -0.47300  1.0 3.0
   50    48    51    52   0.43200  1.0 3.0
   50    48    51    53   0.43200  1.0 3.0
   50    54    55    56   3.62500 -1.0 2.0
   50    54    55    60   3.62500 -1.0 2.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    62  -0.46400 -1.0 2.0
   50    72   -49    46   1.63200 -1.0 2.0
   54    50    72    64   3.62500 -1.0 2.0
   54    50    72    49   3.62500 -1.0 2.0
   54    55    60    61   3.62500 -1.0 2.0
   54    55   -60    64   3.62500 -1.0 2.0
   54    57    62    63   0.17350  1.0 3.0
   54    57    62    65   0.03550  1.0 1.0
   54    57    62    65   0.09800 -1.0 2.0
   54    57    62    68   0.03550  1.0 1.0
   54    57    62    68   0.09800 -1.0 2.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    62  -0.46400 -1.0 2.0
   55    60    64    72   3.62500 -1.0 2.0
   55    60    64    73   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    64   3.62500 -1.0 2.0
   60    64   -72    50   3.62500 -1.0 2.0
   60    64    72    49   3.62500 -1.0 2.0
   60    64    73    74   1.63200 -1.0 2.0
   61    60    64    72   3.62500 -1.0 2.0
   61    60    64    73   3.62500 -1.0 2.0
   64    72    49    46   1.63200 -1.0 2.0
   64    73    74    75   0.08050  1.0 3.0
   64    73    74    76   0.08050  1.0 3.0
   64    73    74    77   0.08050  1.0 3.0
   72    50   -54    55   3.62500 -1.0 2.0
   72    50    54    57   3.62500 -1.0 2.0
   72    64    73    74   1.63200 -1.0 2.0
   49    46    48    33   0.62750  1.0 1.0
   49    46    48    33  -0.30950 -1.0 2.0
   49    46    48    33   0.27300  1.0 3.0
   49    46   -48    50  -0.64350  1.0 1.0
   49    46   -48    50  -0.04200 -1.0 2.0
   49    46   -48    50   0.19800  1.0 3.0
   49    46    48    51   0.62750  1.0 1.0
   49    46    48    51  -0.30950 -1.0 2.0
   49    46    48    51   0.27300  1.0 3.0
   73    64    72    50   3.62500 -1.0 2.0
   73    64    72    49   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    60   3.62500 -1.0 2.0
   57    62    65    66   0.15000  1.0 3.0
   57    62    65    67   0.15000  1.0 3.0
   57    62    65    51   0.47100  1.0 1.0
   57    62    68    69   0.15000  1.0 3.0
   57    62    68    70   0.15000  1.0 3.0
   57    62    68    71   0.15000  1.0 3.0
   58    57    62    63   0.13050  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   58    57    62    68   0.15000  1.0 3.0
   59    57    62    63   0.13050  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   59    57    62    68   0.15000  1.0 3.0
   62    65    51    48   1.36600  1.0 1.0
   62    65    51    48  -0.11450 -1.0 2.0
   62    65    51    48   0.24250  1.0 3.0
   62    65    51    52   0.19200  1.0 3.0
   62    65    51    53   0.19200  1.0 3.0
   63    62    65    66   0.13050  1.0 3.0
   63    62    65    67   0.13050  1.0 3.0
   63    62    65    51   0.17350  1.0 3.0
   63    62    68    69   0.13050  1.0 3.0
   63    62    68    70   0.13050  1.0 3.0
   63    62    68    71   0.13050  1.0 3.0
   65    62    68    69   0.15000  1.0 3.0
   65    62    68    70   0.15000  1.0 3.0
   65    62    68    71   0.15000  1.0 3.0
   66    65    51    48   0.15000  1.0 3.0
   66    65    51    52   0.15000  1.0 3.0
   66    65    51    53   0.15000  1.0 3.0
   67    65    51    48   0.15000  1.0 3.0
   67    65    51    52   0.15000  1.0 3.0
   67    65    51    53   0.15000  1.0 3.0
   51    48    50    54   0.04150 -1.0 2.0
   51    48    50    72   0.04150 -1.0 2.0
   68    62    65    66   0.15000  1.0 3.0
   68    62    65    67   0.15000  1.0 3.0
   68    62    65    51   0.47100  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   54    72    50    48   4.00000 -1.0 2.0
   55    57    54    50   4.00000 -1.0 2.0
   60    56    55    54   1.10000 -1.0 2.0
   64    61    60    55   1.10000 -1.0 2.0
   72    73    64    60   4.00000 -1.0 2.0
   64    49    72    50   4.00000 -1.0 2.0
END
