* LIGAND DATABASE FILE (OPLS2005)
*
001      71    71    131    195     385
    1     0 S   NP   _N1_     1    28.78311    94.41734   -20.86773
    2     1 S   H    _HN1     2     1.02778    87.14250   -72.37820
    3     1 S   H    _H1_     3     1.02961    94.21050    35.78846
    4     1 S   H    _H2_     4     1.02838    30.04643   153.17383
    5     1 S   CT   _CA1     5     1.50105   140.35508   165.37956
    6     5 S   HC   _HA1     6     1.09568   105.28651    52.70527
    7     5 S   CO3  _C1_     7     1.53838   112.29089   -67.63591
    8     7 S   O2Z  _O11     8     1.26361   115.00987   -45.39855
    9     7 S   O2Z  _O12     9     1.26233   114.92302   133.82006
   10     5 S   CT   _CB1    10     1.53088   107.43978   170.69819
   11    10 S   HC   HB11    11     1.09818   109.50376   -49.96607
   12    10 S   HC   HB12    12     1.09828   110.34783    66.60987
   13    10 S   CT   _CG1    13     1.53010   112.62543  -171.06611
   14    13 S   HC   HG11    14     1.09566   110.39717   -59.10109
   15    13 S   HC   HG12    15     1.09625   110.15722    60.02186
   16    13 S   C    _CD1    16     1.51800   112.09165  -179.78694
   17    16 S   O    _OE1    17     1.22729   123.16047   -12.85285
   18    16 S   N    _N2_    18     1.38562   111.70290   167.78110
   19    18 S   H    _HN2    19     1.01590   119.01059     1.17253
   20    18 S   CT1  _CA2    20     1.46259   123.47847  -177.85945
   21    20 S   HC   _HA2    21     1.09727   109.40614   -15.59998
   22    20 S   C    _C2_    22     1.53391   108.16459  -131.36171
   23    22 S   O    _O2_    23     1.23001   122.32330  -145.01293
   24    20 S   CT   _CB2    32     1.53399   111.15516   106.59986
   25    24 S   HC   HB21    33     1.09465   109.54362    54.15681
   26    24 S   HC   HB22    34     1.09504   110.81307   172.66329
   27    22 S   N    _N3_    24     1.38536   113.28670    42.31058
   28    27 S   H    _HN3    25     1.01531   118.90469    -0.54429
   29    24 S   S    _SG2    35     1.82869   111.71610   -68.05149
   30    27 S   CT   _CA3    26     1.45447   123.42048   175.10847
   31    30 S   HC   HA31    27     1.09525   109.21071    24.90102
   32    30 S   HC   HA32    28     1.09494   107.12844   141.90332
   33    29 S   CT   _C11    36     1.85730    99.84663   152.85829
   34    33 S   HC   _H5_    37     1.09054   103.72528    39.34466
   35    30 S   CO3  _C3_    29     1.52928   113.13475   -98.55539
   36    35 S   O2Z  _O31    30     1.26401   115.41392   -44.19470
   37    35 S   O2Z  _O32    31     1.26356   114.97668   136.74730
   38    33 S   CT   _C10    38     1.57463   110.74805   -78.93436
   39    38 S   HC   _H4_    39     1.09980   107.30421    31.17539
   40    33 S   CT   _C12    63     1.54052   107.77118   154.19837
   41    40 S   HC   _H12    64     1.09258   111.01682   170.27840
   42    40 S   HC   _H13    65     1.09651   110.98656    51.00197
   43    38 S   CM   _C5_    40     1.53367   112.75070   -85.46566
   44    40 S   CO4  _C13    66     1.52360   113.82614   -71.19438
   45    44 S   O    _O33    67     1.23018   122.86460   -22.11928
   46    43 S   CM   _C6_    41     1.34614   122.16313  -107.56162
   47    46 S   HC   _H9_    42     1.08796   119.35496  -178.68493
   48    43 S   CT   _C4_    59     1.50450   117.76752    75.12024
   49    48 S   HC   _H6_    60     1.09276   111.10852   -72.96115
   50    48 S   HC   _H7_    61     1.09557   111.97361   167.18488
   51    48 S   HC   _H8_    62     1.09397   110.37988    48.07724
   52    44 S   CT   _C14    68     1.50675   116.16241   160.62169
   53    52 S   HC   _H14    69     1.09270   109.53832    60.49354
   54    52 S   HC   _H15    70     1.09279   109.60130   -60.58810
   55    52 S   HC   _H16    71     1.09352   109.72632  -179.90721
   56    46 S   CT   _C7_    43     1.49714   124.82566    -1.50740
   57    56 S   HC   _H3_    44     1.09659   107.71454  -115.43077
   58    56 S   CT   _C8_    45     1.53081   114.51923     6.58169
   59    58 S   HC   _H10    46     1.09650   110.09784    89.85389
   60    58 S   HC   _H11    47     1.09902   108.33523  -156.90707
   61    56 S   OH   _O34    57     1.42469   108.45522   128.89086
   62    61 S   HO   _H23    58     0.97236   107.41996   176.95406
   63    38 S   CT   _C9_    48     1.58638   114.93310   146.16515
   64    63 S   CT   _C15    49     1.55390   109.15706  -158.75285
   65    64 S   HC   _H17    50     1.09636   110.73096    63.94492
   66    64 S   HC   _H18    51     1.09391   112.96580   -56.28713
   67    64 S   HC   _H19    52     1.09626   111.00314  -176.77432
   68    63 S   CT   _C16    53     1.54290   113.18044   -40.94611
   69    68 S   HC   _H20    54     1.09504   111.22575   -50.27737
   70    68 S   HC   _H21    55     1.09670   110.98429  -169.83411
   71    68 S   HC   _H22    56     1.09467   112.16247    71.51492
  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
  16   8   2   1   1  25   8  10   4   3  13   5   4  13   5   5
   2   1   1   3   2   1   1   9   6  13   5   4   2   1   8   7
   3   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    63    40    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    46    58    63    64    68    48    40    41    42    44    45    52  
   38    39    43    63    40    41    42    44  
   36    37  
   37  
    0  
   39    43    46    47    56    58    59    60    63    64    65    66    67    68    69    70    71    48    49    50    51    40    41    42    44  
   43    46    58    63    64    68    48    40  
   41    42    44    45    52    53    54    55    43    63  
   42    44    45    52  
   44    45    52  
   46    47    56    57    58    63    64    68    61    48    49    50    51  
   45    52    53    54    55  
   52    53    54    55  
   47    56    57    58    59    60    63    61    62    48    49    50    51  
   56    57    58    61    48  
   49    50    51    56    63  
   50    51  
   51  
    0  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    63    64    68    61    62  
   58    59    60    63    61    62  
   59    60    63    64    65    66    67    68    69    70    71    61    62  
   60    63    64    68    61  
   63    64    68    61  
   62    63  
    0  
   64    65    66    67    68    69    70    71  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   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    40   268.000  1.529
   38    39   340.000  1.090
   38    43   317.000  1.510
   38    63   268.000  1.529
   43    46   549.000  1.340
   43    48   317.000  1.510
   46    47   340.000  1.080
   46    56   317.000  1.510
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    61   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   268.000  1.529
   63    68   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   61    62   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    70.00000  112.02700
   33    38    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    46    70.00000  124.00000
   38    43    48    65.00000  117.92700
   38    63    58    58.35000  112.70000
   38    63    64    58.35000  112.70000
   38    63    68    58.35000  112.70000
   43    38    39    35.00000  109.50000
   43    46    47    35.00000  120.00000
   43    46    56    70.00000  124.00000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   46    56    57    35.00000  109.50000
   46    56    58    70.00000  112.02700
   46    56    61    90.00000  110.39200
   56    46    47    35.00000  117.00000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    63    58.35000  112.70000
   56    61    62    55.00000  108.50000
   58    56    57    37.50000  110.70000
   58    63    64    58.35000  112.70000
   58    63    68    58.35000  112.70000
   60    58    59    33.00000  107.80000
   63    38    39    37.50000  110.70000
   63    38    43    70.00000  112.02700
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    66    37.50000  110.70000
   63    64    67    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    63    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    50.00000  109.50000
   48    43    46    70.00000  124.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    44    45    80.00000  120.40000
   40    44    52    70.00000  116.00000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   44    52    53    35.00000  109.50000
   44    52    54    35.00000  109.50000
   44    52    55    35.00000  109.50000
   52    44    45    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    38    63   0.44750  1.0 1.0
   29    33    38    63  -0.17800 -1.0 2.0
   29    33    38    63   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   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
   33    38    43    46   0.09850  1.0 1.0
   33    38    43    46   0.15250 -1.0 2.0
   33    38    43    46  -0.50650  1.0 3.0
   33    38    43    48   0.46850  1.0 1.0
   33    38    43    48   0.08550 -1.0 2.0
   33    38    43    48   0.09800  1.0 3.0
   33    38    63    58   0.56750  1.0 1.0
   33    38    63    58  -0.07550 -1.0 2.0
   33    38    63    58   0.20000  1.0 3.0
   33    38    63    64   0.56750  1.0 1.0
   33    38    63    64  -0.07550 -1.0 2.0
   33    38    63    64   0.20000  1.0 3.0
   33    38    63    68   0.56750  1.0 1.0
   33    38    63    68  -0.07550 -1.0 2.0
   33    38    63    68   0.20000  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    52   0.60050  1.0 1.0
   33    40    44    52   0.05600 -1.0 2.0
   33    40    44    52   0.26150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    63   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    44  -0.95700  1.0 1.0
   38    33    40    44  -0.18200 -1.0 2.0
   38    33    40    44   0.29450  1.0 3.0
   38    43    46    47   7.00000 -1.0 2.0
   38    43    46    56   7.00000 -1.0 2.0
   38    43    48    49   0.34800  1.0 3.0
   38    43    48    50   0.34800  1.0 3.0
   38    43    48    51   0.34800  1.0 3.0
   38    63    64    65   0.15000  1.0 3.0
   38    63    64    66   0.15000  1.0 3.0
   38    63    64    67   0.15000  1.0 3.0
   38    63    68    69   0.15000  1.0 3.0
   38    63    68    70   0.15000  1.0 3.0
   38    63    68    71   0.15000  1.0 3.0
   39    38    43    46   0.00000  1.0 1.0
   39    38    43    48   0.34800  1.0 3.0
   39    38    63    58   0.15000  1.0 3.0
   39    38    63    64   0.15000  1.0 3.0
   39    38    63    68   0.15000  1.0 3.0
   43    38    63    58   0.34400  1.0 1.0
   43    38    63    58   0.09450 -1.0 2.0
   43    38    63    58   0.11100  1.0 3.0
   43    38    63    64   0.34400  1.0 1.0
   43    38    63    64   0.09450 -1.0 2.0
   43    38    63    64   0.11100  1.0 3.0
   43    38    63    68   0.34400  1.0 1.0
   43    38    63    68   0.09450 -1.0 2.0
   43    38    63    68   0.11100  1.0 3.0
   43    46    56    57   0.00000  1.0 1.0
   43    46   -56    58   0.09850  1.0 1.0
   43    46   -56    58   0.15250 -1.0 2.0
   43    46   -56    58  -0.50650  1.0 3.0
   43    46    56    61   0.67800  1.0 1.0
   43    46    56    61   0.47050 -1.0 2.0
   43    46    56    61  -0.62500  1.0 3.0
   46    43    48    49   0.00000  1.0 1.0
   46    43    48    50   0.00000  1.0 1.0
   46    43    48    51   0.00000  1.0 1.0
   46    56    58    59   0.15000  1.0 3.0
   46    56    58    60   0.15000  1.0 3.0
   46    56    58    63   0.34400  1.0 1.0
   46    56    58    63   0.09450 -1.0 2.0
   46    56    58    63   0.11100  1.0 3.0
   46    56    61    62  -0.07800  1.0 1.0
   46    56    61    62  -0.21500 -1.0 2.0
   46    56    61    62  -0.03150  1.0 3.0
   47    46    56    57   0.33100  1.0 3.0
   47    46    56    58   0.00000  1.0 1.0
   47    46    56    61   0.00000  1.0 1.0
   56    58   -63    38   0.56750  1.0 1.0
   56    58   -63    38  -0.07550 -1.0 2.0
   56    58   -63    38   0.20000  1.0 3.0
   56    58    63    64   0.56750  1.0 1.0
   56    58    63    64  -0.07550 -1.0 2.0
   56    58    63    64   0.20000  1.0 3.0
   56    58    63    68   0.56750  1.0 1.0
   56    58    63    68  -0.07550 -1.0 2.0
   56    58    63    68   0.20000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    63   0.15000  1.0 3.0
   57    56    61    62   0.19450  1.0 3.0
   58    56    61    62  -0.11600  1.0 1.0
   58    56    61    62  -0.09450 -1.0 2.0
   58    56    61    62   0.21250  1.0 3.0
   58    63    64    65   0.15000  1.0 3.0
   58    63    64    66   0.15000  1.0 3.0
   58    63    64    67   0.15000  1.0 3.0
   58    63    68    69   0.15000  1.0 3.0
   58    63    68    70   0.15000  1.0 3.0
   58    63    68    71   0.15000  1.0 3.0
   59    58    63    38   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    68   0.15000  1.0 3.0
   60    58    63    38   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    68   0.15000  1.0 3.0
   63    38   -43    46   0.09850  1.0 1.0
   63    38   -43    46   0.15250 -1.0 2.0
   63    38   -43    46  -0.50650  1.0 3.0
   63    38    43    48   0.46850  1.0 1.0
   63    38    43    48   0.08550 -1.0 2.0
   63    38    43    48   0.09800  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.15000  1.0 3.0
   68    63    64    65   0.15000  1.0 3.0
   68    63    64    66   0.15000  1.0 3.0
   68    63    64    67   0.15000  1.0 3.0
   61    56    58    59   0.23400  1.0 3.0
   61    56    58    60   0.23400  1.0 3.0
   61    56    58    63   0.86500  1.0 1.0
   61    56    58    63  -0.17500 -1.0 2.0
   61    56    58    63   0.20800  1.0 3.0
   48    43    46    47   7.00000 -1.0 2.0
   48    43    46    56   7.00000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.34400  1.0 1.0
   40    33    38    43   0.09450 -1.0 2.0
   40    33    38    43   0.11100  1.0 3.0
   40    33    38    63   0.56750  1.0 1.0
   40    33    38    63  -0.07550 -1.0 2.0
   40    33    38    63   0.20000  1.0 3.0
   40    44    52    53   0.00000  1.0 1.0
   40    44    52    54   0.00000  1.0 1.0
   40    44    52    55   0.00000  1.0 1.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    52   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    52   0.00000  1.0 1.0
   45    44    52    53   0.00000  1.0 1.0
   45    44    52    54   0.00000  1.0 1.0
   45    44    52    55   0.00000  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    48    43    46   1.10000 -1.0 2.0
   56    47    46    43   1.10000 -1.0 2.0
   40    52    44    45  10.50000 -1.0 2.0
END
