* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    122    197     359
    1     0 S   NP   _N1_     1    28.53365    95.15349   -20.69815
    2     1 S   H    _HN1     2     1.02810    31.06626   153.97169
    3     1 S   H    _H1_     3     1.02756    89.57624   -78.54446
    4     1 S   H    _H2_     4     1.03092    89.72381    29.45537
    5     1 S   CT   _CA1     5     1.50220   141.90853   154.10292
    6     5 S   HC   _HA1     6     1.09601   105.04783    59.36882
    7     5 S   CO3  _C1_     7     1.53797   112.57654   -60.13544
    8     7 S   O2Z  _O11     8     1.26303   115.17173   -41.04294
    9     7 S   O2Z  _O12     9     1.26277   114.87659   137.84577
   10     5 S   CT   _CB1    10     1.53088   107.33112   176.67545
   11    10 S   HC   HB11    11     1.09825   108.91120   -53.86784
   12    10 S   HC   HB12    12     1.09663   110.42277    62.20568
   13    10 S   CT   _CG1    13     1.53069   113.17752  -175.21734
   14    13 S   HC   HG11    14     1.09490   110.39931   -64.67326
   15    13 S   HC   HG12    15     1.09654   109.98373    54.23700
   16    13 S   C    _CD1    16     1.51998   112.31718   173.94518
   17    16 S   O    _OE1    17     1.22806   123.03857   -11.72938
   18    16 S   N    _N2_    18     1.38650   112.06240   170.00757
   19    18 S   H    _HN2    19     1.01574   118.94395     1.25226
   20    18 S   CT1  _CA2    20     1.45807   122.80935   172.66714
   21    20 S   HC   _HA2    21     1.09724   109.07428    20.44787
   22    20 S   C    _C2_    22     1.53013   106.49868   -96.00217
   23    22 S   O    _O2_    23     1.22986   123.07998   -27.82729
   24    20 S   CT   _CB2    32     1.53162   112.77138   144.17996
   25    24 S   HC   HB21    33     1.09460   110.86304    50.43935
   26    24 S   HC   HB22    34     1.09560   110.07833   168.21428
   27    22 S   N    _N3_    24     1.38523   112.58701   154.78018
   28    27 S   H    _HN3    25     1.01652   120.34119    -1.80515
   29    24 S   S    _SG2    35     1.82779   111.51563   -73.98779
   30    27 S   CT   _CA3    26     1.45349   122.46740   178.67116
   31    30 S   HC   HA31    27     1.09568   107.75431   -56.92196
   32    30 S   HC   HA32    28     1.09564   107.65720    59.39883
   33    29 S   CT   _C16    36     1.83549   100.63729   109.87324
   34    33 S   HC   _H3_    37     1.09533   110.08659   -33.67742
   35    30 S   CO3  _C3_    29     1.52886   114.35308  -178.80025
   36    35 S   O2Z  _O31    30     1.26334   116.08083    -0.38104
   37    35 S   O2Z  _O32    31     1.26443   114.40421   179.60833
   38    33 S   CO3  _C17    38     1.53926   103.47422    84.38340
   39    38 S   O2Z  _O35    39     1.26414   116.45716    86.81503
   40    38 S   O2Z  _O34    40     1.26593   114.70678   -94.51502
   41    33 S   CT   _C15    41     1.52974   110.10807  -155.77253
   42    41 S   HC   _H11    42     1.09797   109.47492  -167.18419
   43    41 S   HC   _H12    43     1.09784   111.34635   -49.48212
   44    41 S   C    _C14    44     1.52280   113.02674    74.34225
   45    44 S   O    _O33    45     1.22665   121.61545    21.20708
   46    44 S   N    _N4_    46     1.39083   111.48017  -160.61852
   47    46 S   H    _H10    47     1.01668   117.37750    -2.63500
   48    46 S   CA   _C13    48     1.41434   126.95815   177.63421
   49    48 S   CA   _C12    49     1.39721   117.58149   178.17437
   50    49 S   HA   _H9_    50     1.08795   120.62585    -0.37534
   51    49 S   CA   _C11    51     1.40407   120.86809   179.79633
   52    51 S   HA   _H8_    52     1.08710   116.93855   179.75451
   53    51 S   CA   _C10    53     1.41561   122.00152    -0.22555
   54    53 S   CA   _C8_    54     1.42083   125.86819   179.80119
   55    53 S   CA   _C19    67     1.39165   115.19190    -0.16313
   56    54 S   CA   _C9_    55     1.41611   123.67399     0.16551
   57    56 S   HA   _H7_    56     1.08726   121.08268     0.10087
   58    48 S   CA   _C18    68     1.39089   124.21189    -2.44136
   59    58 S   HA   _H13    69     1.08294   122.17930     0.24708
   60    56 S   CA   _C4_    57     1.39896   122.16593  -179.88131
   61    60 S   HA   _H4_    58     1.08646   119.88335   179.97202
   62    60 S   CA   _C5_    59     1.38726   120.05151     0.01978
   63    62 S   HA   _H5_    60     1.08591   120.26263   179.98022
   64    62 S   CA   _C6_    61     1.39026   119.50299    -0.00000
   65    64 S   HA   _H6_    62     1.08739   118.59768  -179.98022
   66    54 S   CA   _C7_    63     1.40634   120.09871  -179.70993
   67    66 S   CO4  _C20    64     1.48188   121.01330    -0.16313
   68    67 S   O    _O37    65     1.22441   122.78507   179.45500
   69    67 S   OS   _O36    66     1.38349   115.89254    -0.74887
  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
  10   7   2   1   1   6   2   1   7   4   3   6   3   8   3   9
   8   4   8   3  11  13   7   8   4   3   1   6   3   5   3   5
   2   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    41    42    43    44  
   36    37  
   37  
    0  
   39    40    41    42    43    44  
   40    41  
   41  
   42    43    44    45    46    47    48  
   43    44    45    46  
   44    45    46  
   45    46    47    48    49    58  
   46    47    48  
   47    48    49    50    51    55    58    59  
   48    49    58  
   49    50    51    52    53    69    55    58    59  
   50    51    52    53    54    55    58    59  
   51    52    53    58  
   52    53    54    56    66    69    55    58  
   53    54    55  
   54    56    57    60    64    66    67    69    55    58    59  
   56    57    60    61    62    64    65    66    67    68    69    55    58  
   58    59    56    66    67    68    69  
   57    60    61    62    63    64    66    67  
   60    61    62    66  
   59    67    69  
   69  
   61    62    63    64    65    66  
   62    63    64  
   63    64    65    66    67  
   64    65    66  
   65    66    67    68    69  
   66    67  
   67    68    69  
   68    69  
   69  
    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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   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   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
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    41   268.000  1.529
   38    39   656.000  1.250
   38    40   656.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   317.000  1.522
   44    45   570.000  1.229
   44    46   490.000  1.335
   46    47   434.000  1.010
   46    48   360.000  1.404
   48    49   469.000  1.400
   48    58   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   375.000  1.464
   53    55   469.000  1.400
   54    56   469.000  1.400
   54    66   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   310.000  1.470
   67    68   570.000  1.229
   67    69   214.000  1.327
   69    55   450.000  1.364
   55    58   469.000  1.400
   58    59   367.000  1.080
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  116.78000
   29    33    41    75.00000  111.63000
   33    38    39    70.00000  117.00000
   33    38    40    70.00000  117.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   40    38    39    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    70.00000  109.69300
   41    44    45    80.00000  120.40000
   41    44    46    70.00000  116.60000
   43    41    42    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    35.00000  109.50000
   44    46    47    35.00000  119.80000
   44    46    48    65.00000  121.96500
   46    44    45    80.00000  122.90000
   46    48    49    70.00000  119.01900
   46    48    58    70.00000  119.01900
   48    46    47    45.00000  118.23600
   48    49    50    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    58    55    63.00000  120.00000
   48    58    59    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    60.00000  122.76000
   51    53    55    63.00000  120.00000
   53    51    52    35.00000  120.00000
   53    54    56    60.00000  122.76000
   53    54    66    60.00000  122.76000
   53    55    69    70.00000  120.00000
   53    55    58    63.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    60    63.00000  120.00000
   54    66    64    63.00000  120.00000
   54    66    67    60.00000  119.52600
   56    60    61    35.00000  120.00000
   56    60    62    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    60.00000  119.52600
   66    54    56    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    68    75.00000  123.78400
   66    67    69    81.00000  111.40000
   67    69    55    85.00000  115.98000
   69    67    68    83.00000  123.40000
   69    55    58    70.00000  120.00000
   55    53    54    60.00000  122.76000
   55    58    59    35.00000  120.00000
   58    48    49    63.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.30150 -1.0 2.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    41    44    45   0.30150 -1.0 2.0
   33    41    44    46   1.39750  1.0 1.0
   33    41    44    46  -0.07950 -1.0 2.0
   33    41    44    46  -0.18750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    44  -0.11250  1.0 3.0
   38    33    41    42  -0.11250  1.0 3.0
   38    33    41    43  -0.11250  1.0 3.0
   38    33    41    44  -0.30950  1.0 1.0
   38    33    41    44   1.11150 -1.0 2.0
   38    33    41    44   0.40350  1.0 3.0
   41    33    38    39   0.41150 -1.0 2.0
   41    33    38    40   0.41150 -1.0 2.0
   41    44    46    47   2.45000 -1.0 2.0
   41    44    46    48   0.76000  1.0 1.0
   41    44    46    48   4.11600 -1.0 2.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    46   0.00000  1.0 1.0
   43    41    44    45   0.00000  1.0 1.0
   43    41    44    46   0.00000  1.0 1.0
   44    46    48    49   1.00100  1.0 1.0
   44    46    48    49   0.85050 -1.0 2.0
   44    46    48    58   1.00100  1.0 1.0
   44    46    48    58   0.85050 -1.0 2.0
   45    44    46    47   2.45000 -1.0 2.0
   45    44    46    48   0.04000 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    51   3.62500 -1.0 2.0
   46    48    58    55   3.62500 -1.0 2.0
   46    48    58    59   3.62500 -1.0 2.0
   47    46    48    49   0.97800 -1.0 2.0
   47    46    48    58   0.97800 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    51    53   3.62500 -1.0 2.0
   49    48    58    55   3.62500 -1.0 2.0
   49    48    58    59   3.62500 -1.0 2.0
   49    51    53    54   3.62500 -1.0 2.0
   49    51   -53    55   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53    54    56  -0.19450  1.0 1.0
   51    53    54    56   0.63300 -1.0 2.0
   51    53    54    56   0.07450  1.0 3.0
   51    53    54    66  -0.19450  1.0 1.0
   51    53    54    66   0.63300 -1.0 2.0
   51    53    54    66   0.07450  1.0 3.0
   51    53    55    69   3.62500 -1.0 2.0
   51    53    55    58   3.62500 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    55   3.62500 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54    56    60   3.62500 -1.0 2.0
   53    54    66    64   3.62500 -1.0 2.0
   53    54    66    67   3.62500 -1.0 2.0
   53    55   -58    48   3.62500 -1.0 2.0
   53    55    58    59   3.62500 -1.0 2.0
   54    53    55    69   3.62500 -1.0 2.0
   54    53    55    58   3.62500 -1.0 2.0
   54    56    60    61   3.62500 -1.0 2.0
   54    56    60    62   3.62500 -1.0 2.0
   54    66    67    68   1.05000 -1.0 2.0
   54    66   -67    69   0.98750 -1.0 2.0
   56    54    66    64   3.62500 -1.0 2.0
   56    54    66    67   3.62500 -1.0 2.0
   56    60    62    63   3.62500 -1.0 2.0
   56    60   -62    64   3.62500 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    62   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   60    62    64    66   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64   -66    54   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   1.05000 -1.0 2.0
   64    66    67    69   0.98750 -1.0 2.0
   65    64    66    54   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   66    54    56    57   3.62500 -1.0 2.0
   66    54   -56    60   3.62500 -1.0 2.0
   66    67    69    55   2.00000 -1.0 2.0
   67    69   -55    53   0.01300  1.0 1.0
   67    69   -55    53   0.97950 -1.0 2.0
   67    69   -55    53  -0.55700  1.0 3.0
   67    69    55    58   0.01300  1.0 1.0
   67    69    55    58   0.97950 -1.0 2.0
   67    69    55    58  -0.55700  1.0 3.0
   68    67    69    55   3.00000 -1.0 2.0
   69    55    58    48   3.62500 -1.0 2.0
   69    55    58    59   3.62500 -1.0 2.0
   55    53    54    56  -0.19450  1.0 1.0
   55    53    54    56   0.63300 -1.0 2.0
   55    53    54    56   0.07450  1.0 3.0
   55    53   -54    66  -0.19450  1.0 1.0
   55    53   -54    66   0.63300 -1.0 2.0
   55    53   -54    66   0.07450  1.0 3.0
   58    48    49    50   3.62500 -1.0 2.0
   58    48   -49    51   3.62500 -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
   39    33    38    40  10.50000 -1.0 2.0
   41    46    44    45  10.50000 -1.0 2.0
   47    44    46    48   1.00000 -1.0 2.0
   49    58    48    46   4.00000 -1.0 2.0
   51    50    49    48   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   54    55    53    51   4.00000 -1.0 2.0
   56    66    54    53   4.00000 -1.0 2.0
   60    57    56    54   1.10000 -1.0 2.0
   62    61    60    56   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   64    67    66    54   4.00000 -1.0 2.0
   66    69    67    68  10.50000 -1.0 2.0
   69    58    55    53   4.00000 -1.0 2.0
   55    59    58    48   1.10000 -1.0 2.0
END
