* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    129    204     379
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02071    35.82943   134.77268
    3     1 S   H    _H1_     3     1.02116    80.42316   -83.32705
    4     1 S   H    _H2_     4     1.02059    98.41068    24.38670
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C15    36     1.84923    97.34553  -158.11236
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C12    37     1.53450   108.63426   -60.04334
   38    37 S   HC   _H25    38     1.10317   110.08819   -32.80897
   39    37 S   HC   _H26    39     1.10231   110.78380  -150.09360
   40    33 S   CT   _C14    55     1.53632   106.60601  -178.29280
   41    40 S   HC   _H29    56     1.09508   111.50880   177.56772
   42    37 S   CO4  _C11    40     1.50555   113.74418    88.44807
   43    42 S   O    _O17    41     1.22811   122.14574  -137.25241
   44    40 S   CA   _C9_    57     1.47948   114.10084    50.23982
   45    40 S   OS   _O18    69     1.45342   108.95979   -63.45384
   46    42 S   OS   _O19    42     1.35529   115.88944    46.34479
   47    44 S   CA   _C7_    58     1.38354   130.02270    62.57905
   48    47 S   HA   _H24    59     1.08596   121.20504    -0.36045
   49    46 S   CT   _C16    43     1.44947   121.77012    -8.30596
   50    47 S   CA   _C5_    60     1.39817   118.36675   179.51543
   51    50 S   HA   _H22    61     1.08701   119.79431   179.89165
   52    33 S   CT   _C13    44     1.54387   108.17530    62.58644
   53    52 S   HC   _H27    45     1.09686   110.10688   -10.03348
   54    52 S   HC   _H28    46     1.09745   108.76330   102.96417
   55    49 S   CT   _C17    47     1.53198   110.34695    85.98737
   56    55 S   HC   _H30    48     1.08622   109.35978    56.11247
   57    55 S   HC   _H31    49     1.08591   109.32337   -63.82401
   58    55 S   HC   _H32    50     1.08576   109.36548   176.11713
   59    49 S   CT   _C18    51     1.53824   105.56484  -157.68493
   60    59 S   HC   _H33    52     1.08652   109.47183   -62.16396
   61    59 S   HC   _H34    53     1.08623   109.48408   177.77331
   62    59 S   HC   _H35    54     1.08638   109.46485    57.75924
   63    50 S   CA   _C4_    62     1.40455   120.66625    -0.10279
   64    63 S   HA   _H21    63     1.08682   119.64528   179.96044
   65    63 S   CA   _C6_    64     1.39514   120.56610    -0.03956
   66    65 S   HA   _H23    65     1.08324   120.80257  -179.95577
   67    44 S   CA   _C8_    66     1.38034   109.68377  -118.10939
   68    67 S   CO4  _C10    67     1.45404   108.96652     0.59578
   69    68 S   O    _O16    68     1.21465   126.82655   179.74744
  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  13   5   4   3
  19   2   1   1  13   6   5  15   6   6   2  12   6  12   8   4
  11   6   3  10   3   2   7   3   2   1   3   2   1   1   5   3
   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    49    52    53    54    40    41    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    46    49    52    53    54    55    59    40    41    44    47    67    68    45  
   35    36  
   36  
    0  
   38    39    42    43    46    49    52    53    54    40    41    44    45  
   39    42    43    46    52    40  
   42    43    46    52    40  
   41    44    47    48    50    65    67    68    69    45    42    49    52    53    54  
   44    47    67    68    45    52  
   43    46    49    52    55    59  
   46    49  
   47    48    50    51    63    65    66    67    68    69    45    52  
   47    52    65    67    68    69  
   49    52    53    54    55    56    57    58    59    60    61    62  
   48    50    51    63    64    65    67    68  
   50    51    63    67  
   52    53    54    55    56    57    58    59    60    61    62  
   51    63    64    65    66    67  
   63    64    65  
   53    54    55    56    57    58    59    60    61    62  
   54    55    59  
   55    59  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68  
   65    66    67  
   66    67    68    69  
   67    68  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    46   214.000  1.327
   46    49   320.000  1.410
   49    52   268.000  1.529
   49    55   268.000  1.529
   49    59   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.510
   40    45   320.000  1.410
   44    47   469.000  1.400
   44    67   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    51   367.000  1.080
   50    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   310.000  1.470
   68    69   570.000  1.229
   68    45   214.000  1.327
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    52    49    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    54    37.50000  110.70000
   33    40    41    37.50000  110.70000
   33    40    44    70.00000  112.17500
   33    40    45    50.00000  109.50000
   37    42    43    80.00000  120.40000
   37    42    46    81.00000  111.40000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    46    49    83.00000  116.90000
   46    42    43    83.00000  123.40000
   46    49    52    50.00000  109.50000
   46    49    55    50.00000  109.50000
   46    49    59    50.00000  109.50000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    62    37.50000  110.70000
   52    33    37    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    49    52    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    49    52    58.35000  112.70000
   59    49    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   40    44    47    70.00000  120.00000
   40    44    67    70.00000  120.00000
   40    45    68    83.00000  116.90000
   44    40    41    35.00000  109.50000
   44    47    48    35.00000  120.00000
   44    47    50    63.00000  120.00000
   44    67    65    63.00000  120.00000
   44    67    68    60.00000  119.52600
   47    50    51    35.00000  120.00000
   47    50    63    63.00000  120.00000
   50    47    48    35.00000  120.00000
   50    63    64    35.00000  120.00000
   50    63    65    63.00000  120.00000
   63    50    51    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    60.00000  119.52600
   67    44    47    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    68    69    75.00000  123.78400
   67    68    45    81.00000  111.40000
   45    40    41    35.00000  109.50000
   45    40    44    85.00000  111.85700
   45    68    69    83.00000  123.40000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    52    49   0.44750  1.0 1.0
   29    33    52    49  -0.17800 -1.0 2.0
   29    33    52    49   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    37    42    43   0.30150 -1.0 2.0
   33    37    42    46   0.36750  1.0 3.0
   33    40    44    47   0.04150 -1.0 2.0
   33    40    44    67   0.04150 -1.0 2.0
   33    40    45    68  -0.25900  1.0 1.0
   33    40    45    68  -0.47000 -1.0 2.0
   33    40    45    68   0.11750  1.0 3.0
   37    33    52    49   0.56750  1.0 1.0
   37    33    52    49  -0.07550 -1.0 2.0
   37    33    52    49   0.20000  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    54   0.15000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44  -0.03700  1.0 1.0
   37    33    40    44   0.37200 -1.0 2.0
   37    33    40    44  -0.47300  1.0 3.0
   37    33    40    45   0.62750  1.0 1.0
   37    33    40    45  -0.30950 -1.0 2.0
   37    33    40    45   0.27300  1.0 3.0
   37    42   -46    49   1.63150  1.0 1.0
   37    42   -46    49   2.92000 -1.0 2.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    46   0.00000  1.0 1.0
   39    37    42    43   0.00000  1.0 1.0
   39    37    42    46   0.00000  1.0 1.0
   42    46    49    52  -0.25900  1.0 1.0
   42    46    49    52  -0.47000 -1.0 2.0
   42    46    49    52   0.11750  1.0 3.0
   42    46    49    55  -0.25900  1.0 1.0
   42    46    49    55  -0.47000 -1.0 2.0
   42    46    49    55   0.11750  1.0 3.0
   42    46    49    59  -0.25900  1.0 1.0
   42    46    49    59  -0.47000 -1.0 2.0
   42    46    49    59   0.11750  1.0 3.0
   43    42    46    49   3.00000 -1.0 2.0
   46    49   -52    33   0.62750  1.0 1.0
   46    49   -52    33  -0.30950 -1.0 2.0
   46    49   -52    33   0.27300  1.0 3.0
   46    49    52    53   0.23400  1.0 3.0
   46    49    52    54   0.23400  1.0 3.0
   46    49    55    56   0.23400  1.0 3.0
   46    49    55    57   0.23400  1.0 3.0
   46    49    55    58   0.23400  1.0 3.0
   46    49    59    60   0.23400  1.0 3.0
   46    49    59    61   0.23400  1.0 3.0
   46    49    59    62   0.23400  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    42  -0.95700  1.0 1.0
   52    33   -37    42  -0.18200 -1.0 2.0
   52    33   -37    42   0.29450  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    44  -0.03700  1.0 1.0
   52    33    40    44   0.37200 -1.0 2.0
   52    33    40    44  -0.47300  1.0 3.0
   52    33    40    45   0.62750  1.0 1.0
   52    33    40    45  -0.30950 -1.0 2.0
   52    33    40    45   0.27300  1.0 3.0
   52    49    55    56   0.15000  1.0 3.0
   52    49    55    57   0.15000  1.0 3.0
   52    49    55    58   0.15000  1.0 3.0
   52    49    59    60   0.15000  1.0 3.0
   52    49    59    61   0.15000  1.0 3.0
   52    49    59    62   0.15000  1.0 3.0
   55    49    52    33   0.56750  1.0 1.0
   55    49    52    33  -0.07550 -1.0 2.0
   55    49    52    33   0.20000  1.0 3.0
   55    49    52    53   0.15000  1.0 3.0
   55    49    52    54   0.15000  1.0 3.0
   55    49    59    60   0.15000  1.0 3.0
   55    49    59    61   0.15000  1.0 3.0
   55    49    59    62   0.15000  1.0 3.0
   59    49    52    33   0.56750  1.0 1.0
   59    49    52    33  -0.07550 -1.0 2.0
   59    49    52    33   0.20000  1.0 3.0
   59    49    52    53   0.15000  1.0 3.0
   59    49    52    54   0.15000  1.0 3.0
   59    49    55    56   0.15000  1.0 3.0
   59    49    55    57   0.15000  1.0 3.0
   59    49    55    58   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42  -0.95700  1.0 1.0
   40    33    37    42  -0.18200 -1.0 2.0
   40    33    37    42   0.29450  1.0 3.0
   40    33    52    49   0.56750  1.0 1.0
   40    33    52    49  -0.07550 -1.0 2.0
   40    33    52    49   0.20000  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    54   0.15000  1.0 3.0
   40    44    47    48   3.62500 -1.0 2.0
   40    44    47    50   3.62500 -1.0 2.0
   40    44    67    65   3.62500 -1.0 2.0
   40    44   -67    68   3.62500 -1.0 2.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    44    67   0.00000  1.0 1.0
   41    40    45    68   0.08050  1.0 3.0
   44    40   -45    68  -0.43900 -1.0 2.0
   44    40   -45    68   0.14100  1.0 3.0
   44    47    50    51   3.62500 -1.0 2.0
   44    47    50    63   3.62500 -1.0 2.0
   44    67    68    69   1.05000 -1.0 2.0
   44    67   -68    45   0.98750 -1.0 2.0
   47    44    67    65   3.62500 -1.0 2.0
   47    44    67    68   3.62500 -1.0 2.0
   47    50    63    64   3.62500 -1.0 2.0
   47    50   -63    65   3.62500 -1.0 2.0
   48    47    50    51   3.62500 -1.0 2.0
   48    47    50    63   3.62500 -1.0 2.0
   50    63    65    66   3.62500 -1.0 2.0
   50    63    65    67   3.62500 -1.0 2.0
   51    50    63    64   3.62500 -1.0 2.0
   51    50    63    65   3.62500 -1.0 2.0
   63    65   -67    44   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    68    69   1.05000 -1.0 2.0
   65    67    68    45   0.98750 -1.0 2.0
   66    65    67    44   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   67    44    47    48   3.62500 -1.0 2.0
   67    44   -47    50   3.62500 -1.0 2.0
   67    68   -45    40   0.59950  1.0 1.0
   67    68   -45    40   3.24850 -1.0 2.0
   69    68    45    40   3.00000 -1.0 2.0
   45    40    44    47   0.64500  1.0 1.0
   45    40    44    47   0.14800 -1.0 2.0
   45    40    44    47   0.20650  1.0 3.0
   45    40   -44    67   0.64500  1.0 1.0
   45    40   -44    67   0.14800 -1.0 2.0
   45    40   -44    67   0.20650  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    46    42    43  10.50000 -1.0 2.0
   47    67    44    40   4.00000 -1.0 2.0
   50    48    47    44   1.10000 -1.0 2.0
   63    51    50    47   1.10000 -1.0 2.0
   65    64    63    50   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    68    67    44   4.00000 -1.0 2.0
   67    45    68    69  10.50000 -1.0 2.0
END
