* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    135    204     388
    1     0 S   NP   _N1_     1    30.10634    99.21122   -18.33779
    2     1 S   H    _HN1     2     1.02947    77.44824    46.30121
    3     1 S   H    _H1_     3     1.02837    65.70050   161.89480
    4     1 S   H    _H2_     4     1.02785    63.89888   -71.54675
    5     1 S   CT   _CA1     5     1.50079   172.05759  -133.06491
    6     5 S   HC   _HA1     6     1.09596   105.18688    -2.79008
    7     5 S   CO3  _C1_     7     1.53670   112.30657  -122.73741
    8     7 S   O2Z  _O11     8     1.26338   115.11319   -50.13849
    9     7 S   O2Z  _O12     9     1.26232   114.81970   128.88182
   10     5 S   CT   _CB1    10     1.53050   107.41024   114.71912
   11    10 S   HC   HB11    11     1.09820   109.00378   -53.85293
   12    10 S   HC   HB12    12     1.09785   110.60542    62.55128
   13    10 S   CT   _CG1    13     1.52962   112.62810  -175.05525
   14    13 S   HC   HG11    14     1.09547   110.38236   -67.47973
   15    13 S   HC   HG12    15     1.09672   109.97242    51.62268
   16    13 S   C    _CD1    16     1.51793   112.38450   171.66469
   17    16 S   O    _OE1    17     1.22725   123.31088    -2.52623
   18    16 S   N    _N2_    18     1.38563   111.59402   178.33564
   19    18 S   H    _HN2    19     1.01614   118.91694    -1.05053
   20    18 S   CT1  _CA2    20     1.46255   123.46633   175.95586
   21    20 S   HC   _HA2    21     1.09730   109.46685    -5.36776
   22    20 S   C    _C2_    22     1.53519   108.26052  -120.73971
   23    22 S   O    _O2_    23     1.23039   122.38832  -149.14699
   24    20 S   CT   _CB2    32     1.53273   111.38259   117.07257
   25    24 S   HC   HB21    33     1.08957   109.10426    55.31265
   26    24 S   HC   HB22    34     1.09511   110.54125   173.07658
   27    22 S   N    _N3_    24     1.38359   113.56591    38.32038
   28    27 S   H    _HN3    25     1.01622   119.46201    -3.58397
   29    24 S   S    _SG2    35     1.82459   111.20793   -68.44488
   30    27 S   CT   _CA3    26     1.45276   123.23054   177.16434
   31    30 S   HC   HA31    27     1.09548   107.49591   -64.99653
   32    30 S   HC   HA32    28     1.09556   108.00274    51.44661
   33    29 S   CT   _C15    36     1.87743   103.12614   135.73835
   34    30 S   CO3  _C3_    29     1.52953   114.06990   173.43926
   35    34 S   O2Z  _O31    30     1.26376   116.04375    -0.99976
   36    34 S   O2Z  _O32    31     1.26429   114.41454   179.07592
   37    33 S   CA   _C7_    37     1.52227   110.53409   -68.48714
   38    33 S   CT   _C14    50     1.54145   111.43645   175.46655
   39    38 S   HC   _H4_    51     1.10612   110.83412   172.35604
   40    37 S   CA   _C6_    38     1.40312   122.66016    94.33513
   41    40 S   HA   _H8_    39     1.08425   120.27311    -0.04846
   42    38 S   OS   _O34    52     1.42660   106.37140   -72.91078
   43    40 S   CA   _C5_    40     1.40469   122.17961  -179.17671
   44    42 S   CMA  _C17    53     1.43129   101.64545   -40.27333
   45    44 S   OM   _O35    54     1.26343   122.09150  -156.93180
   46    43 S   CA   _C10    41     1.40062   119.52562    -0.81469
   47    33 S   CM   _C16    55     1.51420   109.05488    72.71096
   48    43 S   CT   _C4_    69     1.50435   119.52356  -179.91377
   49    48 S   HC   _H5_    70     1.09473   110.16549   115.71439
   50    48 S   HC   _H6_    71     1.09492   110.27236  -123.38621
   51    48 S   HC   _H7_    72     1.09509   111.67564    -4.02287
   52    46 S   CA   _C9_    42     1.39648   119.20200     2.11748
   53    52 S   HA   _H9_    43     1.08690   120.40173   179.09431
   54    47 S   CT   _C18    56     1.49739   124.61929   -89.27769
   55    54 S   HC   _H15    57     1.09378   110.42002   -71.80731
   56    54 S   HC   _H16    58     1.09509   112.47464   169.30526
   57    54 S   HC   _H17    59     1.09112   111.74704    50.03749
   58    46 S   OS   _O33    64     1.37142   116.05751  -178.57166
   59    37 S   CA   _C8_    44     1.42023   119.34899   -83.11061
   60    58 S   CT   _C11    65     1.42275   117.03377   167.56654
   61    60 S   HC   _H10    66     1.09423   107.73102  -173.97172
   62    60 S   HC   _H11    67     1.09333   111.22335    68.28884
   63    60 S   HC   _H12    68     1.09523   111.24226   -56.13125
   64    59 S   CT   _C12    45     1.53321   122.89338    -2.14931
   65    64 S   HC   _H3_    46     1.09979   105.76877  -125.89247
   66    64 S   CT   _C13    47     1.54223   115.48443    -8.95456
   67    66 S   HC   _H13    48     1.09633   112.17987   106.51211
   68    66 S   HC   _H14    49     1.09817   109.68104  -138.78387
   69    64 S   CT   _C19    60     1.53310   111.84175   117.17758
   70    69 S   HC   _H18    61     1.09514   111.20399   -61.45941
   71    69 S   HC   _H19    62     1.09546   110.70347   178.42480
   72    69 S   HC   _H20    63     1.09429   111.84209    58.79481
  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  11   5   4   3
  20   2   1   1  18  14   7  12   4   8  10   7   2  13   6   5
   2   1   1   8   3   3   2   1   1   5   9   3   2   1   1   8
   7   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    59    66    38    39    42    44    47    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    43    52    59    64    66    67    68    38    39    42    44    45    47    54    55    56    57  
   35    36  
   36  
    0  
   40    41    43    46    52    53    59    64    65    66    38    39    42    44    47    54    69    48  
   39    42    44    45    47    54    69    40    59    64    65    66    67    68  
   42    44    47    64    66    67    68  
   41    43    46    52    59    64    47    58    48    49    50    51  
   43    46    59    48  
   44    45    47    54    64    66    67    68  
   46    52    53    59    58    60    48    49    50    51  
   45    47    54    55    56    57    66  
   47    54  
   52    53    59    64    58    60    61    62    63    48    49    50    51  
   54    55    56    57    59    66  
   49    50    51    52    58  
   50    51  
   51  
    0  
   53    59    64    65    66    69    58    60  
   59    64    58  
   55    56    57  
   56    57  
   57  
    0  
   60    61    62    63    59  
   64    65    66    67    68    69    70    71    72  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    72  
   66    67    68    69    70    71    72  
   67    68    69    70    71    72  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    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   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.065000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   72   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    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   317.000  1.510
   33    38   268.000  1.529
   33    47   317.000  1.510
   37    40   469.000  1.400
   37    59   469.000  1.400
   40    41   367.000  1.080
   40    43   469.000  1.400
   43    46   469.000  1.400
   43    48   317.000  1.510
   46    52   469.000  1.400
   46    58   450.000  1.364
   52    53   367.000  1.080
   52    59   469.000  1.400
   59    64   317.000  1.510
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    38   268.000  1.529
   38    39   340.000  1.090
   38    42   320.000  1.410
   42    44   440.000  1.360
   44    45   745.000  1.250
   44    47   465.000  1.376
   47    54   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   58    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  112.20000
   33    37    40    70.00000  120.00000
   33    37    59    70.00000  120.00000
   33    38    66    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    42    50.00000  109.50000
   33    47    44    70.00000  124.00000
   33    47    54    65.00000  117.92700
   37    40    41    35.00000  120.00000
   37    40    43    63.00000  120.00000
   37    59    52    63.00000  120.00000
   37    59    64    70.00000  120.00000
   40    43    46    63.00000  120.00000
   40    43    48    70.00000  120.00000
   43    40    41    35.00000  120.00000
   43    46    52    63.00000  120.00000
   43    46    58    70.00000  120.00000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   46    52    53    35.00000  120.00000
   46    52    59    63.00000  120.00000
   46    58    60    75.00000  111.00000
   52    59    64    70.00000  120.00000
   59    37    40    63.00000  120.00000
   59    52    53    35.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    70.00000  112.17500
   59    64    69    70.00000  112.17500
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    38    58.35000  112.70000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    37.50000  110.70000
   66    64    65    37.50000  110.70000
   66    38    39    37.50000  110.70000
   66    38    42    50.00000  109.50000
   68    66    67    33.00000  107.80000
   38    33    37    70.00000  112.17500
   38    66    67    37.50000  110.70000
   38    66    68    37.50000  110.70000
   38    42    44    90.00000  111.18400
   42    38    39    35.00000  109.50000
   42    44    45    65.00000  121.00000
   42    44    47    80.00000  120.01400
   44    47    54    70.00000  124.00000
   47    33    37    70.00000  112.99600
   47    33    38    70.00000  112.02700
   47    44    45    65.00000  137.10300
   47    54    55    35.00000  109.50000
   47    54    56    35.00000  109.50000
   47    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   58    46    52    70.00000  120.00000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   48    43    46    70.00000  120.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    47  -0.62250  1.0 1.0
   24    29    33    47  -0.38450 -1.0 2.0
   24    29    33    47   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    59  -0.16000  1.0 1.0
   29    33    37    59  -0.03200 -1.0 2.0
   29    33    37    59   0.04500  1.0 3.0
   29    33    38    66   0.44750  1.0 1.0
   29    33    38    66  -0.17800 -1.0 2.0
   29    33    38    66   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    47    44   0.42700  1.0 1.0
   29    33    47    44  -0.70350 -1.0 2.0
   29    33    47    44  -0.43150  1.0 3.0
   29    33    47    54   0.30250  1.0 1.0
   29    33    47    54  -0.14950 -1.0 2.0
   29    33    47    54   0.36900  1.0 3.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    59    52   3.62500 -1.0 2.0
   33    37    59    64   3.62500 -1.0 2.0
   33    38   -42    44  -0.46850  1.0 1.0
   33    38   -42    44   0.09300 -1.0 2.0
   33    38   -42    44  -0.12850  1.0 3.0
   33    47    54    55   0.34800  1.0 3.0
   33    47    54    56   0.34800  1.0 3.0
   33    47    54    57   0.34800  1.0 3.0
   37    33    38    66  -0.03700  1.0 1.0
   37    33    38    66   0.37200 -1.0 2.0
   37    33    38    66  -0.47300  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    42  -0.64350  1.0 1.0
   37    33    38    42  -0.04200 -1.0 2.0
   37    33    38    42   0.19800  1.0 3.0
   37    33    47    44   1.44450  1.0 1.0
   37    33    47    44   0.06600 -1.0 2.0
   37    33    47    44   0.29250  1.0 3.0
   37    33    47    54   0.09700  1.0 1.0
   37    33    47    54   0.15600 -1.0 2.0
   37    33    47    54  -0.50800  1.0 3.0
   37    40    43    46   3.62500 -1.0 2.0
   37    40    43    48   3.62500 -1.0 2.0
   37    59    64    65   0.00000  1.0 1.0
   37    59   -64    66   0.04150 -1.0 2.0
   37    59    64    69   0.04150 -1.0 2.0
   40    37    59    52   3.62500 -1.0 2.0
   40    37    59    64   3.62500 -1.0 2.0
   40    43   -46    52   3.62500 -1.0 2.0
   40    43    46    58   3.62500 -1.0 2.0
   40    43    48    49   0.00000  1.0 1.0
   40    43    48    50   0.00000  1.0 1.0
   40    43    48    51   0.00000  1.0 1.0
   41    40    43    46   3.62500 -1.0 2.0
   41    40    43    48   3.62500 -1.0 2.0
   43    46    52    53   3.62500 -1.0 2.0
   43    46    52    59   3.62500 -1.0 2.0
   43    46    58    60   1.63200 -1.0 2.0
   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    52   -59    37   3.62500 -1.0 2.0
   46    52    59    64   3.62500 -1.0 2.0
   46    58    60    61   0.08050  1.0 3.0
   46    58    60    62   0.08050  1.0 3.0
   46    58    60    63   0.08050  1.0 3.0
   52    46    58    60   1.63200 -1.0 2.0
   52    59    64    65   0.00000  1.0 1.0
   52    59    64    66   0.04150 -1.0 2.0
   52    59    64    69   0.04150 -1.0 2.0
   53    52    59    37   3.62500 -1.0 2.0
   53    52    59    64   3.62500 -1.0 2.0
   59    37    40    41   3.62500 -1.0 2.0
   59    37   -40    43   3.62500 -1.0 2.0
   59    64    66    67   0.43200  1.0 3.0
   59    64    66    68   0.43200  1.0 3.0
   59    64    66    38  -0.03700  1.0 1.0
   59    64    66    38   0.37200 -1.0 2.0
   59    64    66    38  -0.47300  1.0 3.0
   59    64    69    70   0.43200  1.0 3.0
   59    64    69    71   0.43200  1.0 3.0
   59    64    69    72   0.43200  1.0 3.0
   64    66   -38    33   0.56750  1.0 1.0
   64    66   -38    33  -0.07550 -1.0 2.0
   64    66   -38    33   0.20000  1.0 3.0
   64    66    38    39   0.15000  1.0 3.0
   64    66    38    42   0.62750  1.0 1.0
   64    66    38    42  -0.30950 -1.0 2.0
   64    66    38    42   0.27300  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    38   0.15000  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.15000  1.0 3.0
   66    64    69    72   0.15000  1.0 3.0
   66    38    42    44  -0.46850  1.0 1.0
   66    38    42    44   0.09300 -1.0 2.0
   66    38    42    44  -0.12850  1.0 3.0
   67    66    38    33   0.15000  1.0 3.0
   67    66    38    39   0.15000  1.0 3.0
   67    66    38    42   0.23400  1.0 3.0
   68    66    38    33   0.15000  1.0 3.0
   68    66    38    39   0.15000  1.0 3.0
   68    66    38    42   0.23400  1.0 3.0
   38    33    37    40   0.04150 -1.0 2.0
   38    33   -37    59   0.04150 -1.0 2.0
   38    33   -47    44   0.09850  1.0 1.0
   38    33   -47    44   0.15250 -1.0 2.0
   38    33   -47    44  -0.50650  1.0 3.0
   38    33    47    54   0.46850  1.0 1.0
   38    33    47    54   0.08550 -1.0 2.0
   38    33    47    54   0.09800  1.0 3.0
   38    42    44    45   2.00000 -1.0 2.0
   38    42   -44    47  -2.26850  1.0 1.0
   38    42   -44    47   3.39050 -1.0 2.0
   39    38    42    44   0.08050  1.0 3.0
   42    44   -47    33   7.00000 -1.0 2.0
   42    44    47    54   7.00000 -1.0 2.0
   44    47    54    55   0.00000  1.0 1.0
   44    47    54    56   0.00000  1.0 1.0
   44    47    54    57   0.00000  1.0 1.0
   45    44    47    33   7.00000 -1.0 2.0
   45    44    47    54   7.00000 -1.0 2.0
   47    33    37    40   0.18050 -1.0 2.0
   47    33    37    59   0.18050 -1.0 2.0
   47    33    38    66   0.34400  1.0 1.0
   47    33    38    66   0.09450 -1.0 2.0
   47    33    38    66   0.11100  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    42   0.61850  1.0 1.0
   47    33   -38    42  -0.22750 -1.0 2.0
   47    33   -38    42   0.15300  1.0 3.0
   69    64    66    67   0.15000  1.0 3.0
   69    64    66    68   0.15000  1.0 3.0
   69    64    66    38   0.56750  1.0 1.0
   69    64    66    38  -0.07550 -1.0 2.0
   69    64    66    38   0.20000  1.0 3.0
   58    46    52    53   3.62500 -1.0 2.0
   58    46    52    59   3.62500 -1.0 2.0
   48    43    46    52   3.62500 -1.0 2.0
   48    43    46    58   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
   35    30    34    36  10.50000 -1.0 2.0
   40    59    37    33   4.00000 -1.0 2.0
   43    41    40    37   1.10000 -1.0 2.0
   46    48    43    40   4.00000 -1.0 2.0
   52    58    46    43   4.00000 -1.0 2.0
   59    53    52    46   1.10000 -1.0 2.0
   52    64    59    37   4.00000 -1.0 2.0
   42    45    44    47   1.10000 -1.0 2.0
   33    54    47    44   1.10000 -1.0 2.0
END
