* LIGAND DATABASE FILE (OPLS2005)
*
001      74    73    130    189     382
    1     0 S   NP   _N1_     1    28.71603    94.76063   -21.12296
    2     1 S   H    _HN1     2     1.02776    92.21192   -72.79570
    3     1 S   H    _H1_     3     1.02958    88.91102    35.54445
    4     1 S   H    _H2_     4     1.02833    29.88433   163.75214
    5     1 S   CT   _CA1     5     1.50116   140.48837   157.14153
    6     5 S   HC   _HA1     6     1.09584   105.17251    62.45079
    7     5 S   CO3  _C1_     7     1.53849   112.70085   -57.47744
    8     7 S   O2Z  _O11     8     1.26352   115.02589   -37.26613
    9     7 S   O2Z  _O12     9     1.26301   114.95674   141.98989
   10     5 S   CT   _CB1    10     1.53142   107.42051  -179.73166
   11    10 S   HC   HB11    11     1.09804   109.31963   -51.75607
   12    10 S   HC   HB12    12     1.09816   110.39621    64.88997
   13    10 S   CT   _CG1    13     1.52860   112.51090  -172.99574
   14    13 S   HC   HG11    14     1.09448   109.89734   -65.15948
   15    13 S   HC   HG12    15     1.09655   110.11180    53.79998
   16    13 S   C    _CD1    16     1.51770   112.88553   174.34199
   17    16 S   O    _OE1    17     1.22684   123.38749    -6.10817
   18    16 S   N    _N2_    18     1.38596   111.39307   174.55813
   19    18 S   H    _HN2    19     1.01752   118.75570    -0.27906
   20    18 S   CT1  _CA2    20     1.46140   123.83093   179.06038
   21    20 S   HC   _HA2    21     1.09726   109.33848   -14.66116
   22    20 S   C    _C2_    22     1.53532   108.03892  -130.23161
   23    22 S   O    _O2_    23     1.23018   122.25130  -147.13714
   24    20 S   CTL  _CB2    32     1.53441   111.53918   107.83949
   25    24 S   HC   HB21    33     1.09603   109.68917    52.39107
   26    24 S   HC   HB22    34     1.09528   110.32706   171.36453
   27    22 S   N    _N3_    24     1.38508   113.41449    40.26249
   28    27 S   H    _HN3    25     1.01528   118.89266    -0.80842
   29    24 S   S    _SG2    35     1.82671   111.93967   -69.15428
   30    27 S   CT   _CA3    26     1.45447   123.54042   175.20445
   31    30 S   HC   HA31    27     1.09517   109.32757    22.54032
   32    30 S   HC   HA32    28     1.09498   107.09566   139.55455
   33    29 S   S    _S1_    36     2.05915   101.77571   172.18104
   34    30 S   CO3  _C3_    29     1.52924   113.04989  -101.00153
   35    34 S   O2Z  _O31    30     1.26409   115.38920   -44.61018
   36    34 S   O2Z  _O32    31     1.26352   114.99613   136.29791
   37    33 S   CT   _C14    37     1.82111   102.20982   -84.77207
   38    37 S   HC   _H21    38     1.09587   107.81508   163.77373
   39    37 S   HC   _H22    39     1.09509   109.50917    48.47201
   40    37 S   CT   _C13    40     1.52541   111.91848   -75.91350
   41    40 S   HC   _H19    41     1.09495   111.83443    52.74600
   42    40 S   HC   _H20    42     1.09535   110.78414   -68.11445
   43    40 S   N    _N5_    43     1.45316   110.60164   173.36889
   44    43 S   H    _H18    44     1.01545   118.29997    88.25828
   45    43 S   C    _C12    45     1.38685   122.04373   -90.07099
   46    45 S   O    _O35    46     1.22803   124.37274    -2.08272
   47    45 S   CT   _C11    47     1.51962   111.97583   176.78393
   48    47 S   HC   _H16    48     1.09668   108.09569   -57.17137
   49    47 S   HC   _H17    49     1.09626   107.95073    59.29582
   50    47 S   CT   _C10    50     1.52483   113.33175  -179.65622
   51    50 S   HC   _H14    51     1.09456   110.86492   -56.55380
   52    50 S   HC   _H15    52     1.09519   109.74141  -176.14583
   53    50 S   N    _N4_    53     1.45161   112.01914    63.19210
   54    53 S   H    _H13    54     1.01763   116.81900   -95.30889
   55    53 S   C    _C9_    55     1.38386   123.58530    83.84010
   56    55 S   O    _O34    56     1.22890   124.63093     3.80189
   57    55 S   CT   _C8_    57     1.53086   112.68419  -176.43597
   58    57 S   HC   _H3_    58     1.09710   109.20138   -25.36345
   59    57 S   CT   _C5_    59     1.56003   113.23010    97.26995
   60    57 S   OH   _O36    73     1.42484   107.70277  -140.89409
   61    60 S   HO   _H23    74     0.97274   107.41760    61.31264
   62    59 S   CT   _C4_    60     1.54631   108.19587  -173.75769
   63    62 S   HC   _H4_    61     1.09573   111.42137    58.23270
   64    62 S   HC   _H5_    62     1.09566   111.47323   -62.05379
   65    62 S   HC   _H6_    63     1.09609   111.11214   178.16389
   66    59 S   CT   _C6_    64     1.54242   111.68441    67.84629
   67    66 S   HC   _H7_    65     1.09484   111.52953   -62.91215
   68    66 S   HC   _H8_    66     1.09637   110.90939   177.67763
   69    66 S   HC   _H9_    67     1.09523   111.79407    58.01202
   70    59 S   CT   _C7_    68     1.54414   112.05999   -53.83962
   71    70 S   HC   _H10    69     1.09584   111.11827  -174.13358
   72    70 S   HC   _H11    70     1.09529   110.92024    66.60977
   73    70 S   OH   _O33    71     1.41982   110.88770   -54.19371
   74    73 S   HO   _H12    72     0.97415   106.98985   159.62152
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1   8   5   4   7   4   3   7   3   8   4   8   5
   4   7   4   3   7   3   9   4  16   6  15   4   1  11   4   3
   2   7   3   2   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45  
   39    40    41    42    43  
   40    41    42    43  
   41    42    43    44    45    46    47  
   42    43    44    45  
   43    44    45  
   44    45    46    47    48    49    50  
   45    46    47  
   46    47    48    49    50    51    52    53  
   47    48    49    50  
   48    49    50    51    52    53    54    55  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    56    57  
   52    53    54    55  
   53    54    55  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57    58    59    62    66    70    60    61  
   57    58    59    60  
   58    59    62    63    64    65    66    67    68    69    70    71    72    73    60    61  
   59    62    66    70    60    61  
   62    63    64    65    66    67    68    69    70    71    72    73    74    60    61  
   61    62    66    70  
    0  
   63    64    65    66    67    68    69    70    71    72    73  
   64    65    66    70  
   65    66    70  
   66    70  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   44   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   337.000  1.449
   43    44   434.000  1.010
   43    45   490.000  1.335
   45    46   570.000  1.229
   45    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   337.000  1.449
   53    54   434.000  1.010
   53    55   490.000  1.335
   55    56   570.000  1.229
   55    57   317.000  1.522
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    60   320.000  1.410
   59    62   268.000  1.529
   59    66   268.000  1.529
   59    70   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   320.000  1.410
   73    74   553.000  0.945
   60    61   553.000  0.945
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    50.00000  114.70000
   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    75.00000  111.63000
   37    40    41    37.50000  110.70000
   37    40    42    37.50000  110.70000
   37    40    43    70.00000  110.72300
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    43    44    38.00000  118.40000
   40    43    45    50.00000  121.90000
   42    40    41    33.00000  107.80000
   43    40    41    35.00000  109.50000
   43    40    42    35.00000  109.50000
   43    45    46    80.00000  122.90000
   43    45    47    70.00000  116.60000
   45    43    44    35.00000  119.80000
   45    47    48    35.00000  109.50000
   45    47    49    35.00000  109.50000
   45    47    50    63.00000  111.10000
   47    45    46    80.00000  120.40000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    70.00000  110.72300
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    38.00000  118.40000
   50    53    55    50.00000  121.90000
   52    50    51    33.00000  107.80000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   53    55    56    80.00000  122.90000
   53    55    57    70.00000  116.60000
   55    53    54    35.00000  119.80000
   55    57    58    35.00000  109.50000
   55    57    59    63.00000  111.10000
   55    57    60    95.00000  109.52300
   57    55    56    80.00000  120.40000
   57    59    62    58.35000  112.70000
   57    59    66    58.35000  112.70000
   57    59    70    58.35000  112.70000
   57    60    61    55.00000  108.50000
   59    57    58    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    69    37.50000  110.70000
   59    70    71    37.50000  110.70000
   59    70    72    37.50000  110.70000
   59    70    73    50.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    59    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    59    62    58.35000  112.70000
   70    59    66    58.35000  112.70000
   70    73    74    55.00000  108.50000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   60    57    58    35.00000  109.50000
   60    57    59    50.00000  109.50000
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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  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  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.24000  1.0 3.0
   29    33    37    39   0.24000  1.0 3.0
   29    33    37    40   0.09450  1.0 1.0
   29    33    37    40  -0.17100 -1.0 2.0
   29    33    37    40   0.39100  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    42   0.15000  1.0 3.0
   33    37    40    43   0.56750  1.0 1.0
   33    37    40    43  -0.07550 -1.0 2.0
   33    37    40    43   0.20000  1.0 3.0
   37    40    43    44   0.00000  1.0 1.0
   37    40    43    45  -0.43950  1.0 1.0
   37    40    43    45  -0.08100 -1.0 2.0
   37    40    43    45   0.03350  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42   0.15000  1.0 3.0
   38    37    40    43   0.15000  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42   0.15000  1.0 3.0
   39    37    40    43   0.15000  1.0 3.0
   40    43    45    46   3.04450 -1.0 2.0
   40    43    45    47   1.49850  1.0 1.0
   40    43    45    47   1.53950 -1.0 2.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   42    40    43    44   0.00000  1.0 1.0
   42    40    43    45   0.00000  1.0 1.0
   43    45    47    48   0.00000  1.0 1.0
   43    45    47    49   0.00000  1.0 1.0
   43    45    47    50   1.39750  1.0 1.0
   43    45    47    50  -0.07950 -1.0 2.0
   43    45    47    50  -0.18750  1.0 3.0
   44    43    45    46   2.45000 -1.0 2.0
   44    43    45    47   2.45000 -1.0 2.0
   45    47    50    51  -0.11250  1.0 3.0
   45    47    50    52  -0.11250  1.0 3.0
   45    47    50    53  -2.10200  1.0 1.0
   45    47    50    53  -0.31600 -1.0 2.0
   45    47    50    53   0.13050  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.00000  1.0 1.0
   46    45    47    50   0.30150 -1.0 2.0
   47    50    53    54   0.00000  1.0 1.0
   47    50    53    55  -0.43950  1.0 1.0
   47    50    53    55  -0.08100 -1.0 2.0
   47    50    53    55   0.03350  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    53    55    56   3.04450 -1.0 2.0
   50    53    55    57   1.49850  1.0 1.0
   50    53    55    57   1.53950 -1.0 2.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   52    50    53    54   0.00000  1.0 1.0
   52    50    53    55   0.00000  1.0 1.0
   53    55    57    58   0.00000  1.0 1.0
   53    55    57    59   1.39750  1.0 1.0
   53    55    57    59  -0.07950 -1.0 2.0
   53    55    57    59  -0.18750  1.0 3.0
   53    55    57    60   0.00000  1.0 1.0
   54    53    55    56   2.45000 -1.0 2.0
   54    53    55    57   2.45000 -1.0 2.0
   55    57    59    62  -0.95700  1.0 1.0
   55    57    59    62  -0.18200 -1.0 2.0
   55    57    59    62   0.29450  1.0 3.0
   55    57    59    66  -0.95700  1.0 1.0
   55    57    59    66  -0.18200 -1.0 2.0
   55    57    59    66   0.29450  1.0 3.0
   55    57    59    70  -0.95700  1.0 1.0
   55    57    59    70  -0.18200 -1.0 2.0
   55    57    59    70   0.29450  1.0 3.0
   55    57    60    61   0.91850  1.0 1.0
   55    57    60    61   0.57950  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.30150 -1.0 2.0
   56    55    57    60   0.30150 -1.0 2.0
   57    59    62    63   0.15000  1.0 3.0
   57    59    62    64   0.15000  1.0 3.0
   57    59    62    65   0.15000  1.0 3.0
   57    59    66    67   0.15000  1.0 3.0
   57    59    66    68   0.15000  1.0 3.0
   57    59    66    69   0.15000  1.0 3.0
   57    59    70    71   0.15000  1.0 3.0
   57    59    70    72   0.15000  1.0 3.0
   57    59    70    73   0.86500  1.0 1.0
   57    59    70    73  -0.17500 -1.0 2.0
   57    59    70    73   0.20800  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    59    66   0.15000  1.0 3.0
   58    57    59    70   0.15000  1.0 3.0
   58    57    60    61   0.19450  1.0 3.0
   59    57    60    61  -0.11600  1.0 1.0
   59    57    60    61  -0.09450 -1.0 2.0
   59    57    60    61   0.21250  1.0 3.0
   59    70    73    74  -0.11600  1.0 1.0
   59    70    73    74  -0.09450 -1.0 2.0
   59    70    73    74   0.21250  1.0 3.0
   62    59    66    67   0.15000  1.0 3.0
   62    59    66    68   0.15000  1.0 3.0
   62    59    66    69   0.15000  1.0 3.0
   62    59    70    71   0.15000  1.0 3.0
   62    59    70    72   0.15000  1.0 3.0
   62    59    70    73   0.86500  1.0 1.0
   62    59    70    73  -0.17500 -1.0 2.0
   62    59    70    73   0.20800  1.0 3.0
   66    59    62    63   0.15000  1.0 3.0
   66    59    62    64   0.15000  1.0 3.0
   66    59    62    65   0.15000  1.0 3.0
   66    59    70    71   0.15000  1.0 3.0
   66    59    70    72   0.15000  1.0 3.0
   66    59    70    73   0.86500  1.0 1.0
   66    59    70    73  -0.17500 -1.0 2.0
   66    59    70    73   0.20800  1.0 3.0
   70    59    62    63   0.15000  1.0 3.0
   70    59    62    64   0.15000  1.0 3.0
   70    59    62    65   0.15000  1.0 3.0
   70    59    66    67   0.15000  1.0 3.0
   70    59    66    68   0.15000  1.0 3.0
   70    59    66    69   0.15000  1.0 3.0
   71    70    73    74   0.19450  1.0 3.0
   72    70    73    74   0.19450  1.0 3.0
   60    57    59    62   0.86500  1.0 1.0
   60    57    59    62  -0.17500 -1.0 2.0
   60    57    59    62   0.20800  1.0 3.0
   60    57    59    66   0.86500  1.0 1.0
   60    57    59    66  -0.17500 -1.0 2.0
   60    57    59    66   0.20800  1.0 3.0
   60    57    59    70   0.86500  1.0 1.0
   60    57    59    70  -0.17500 -1.0 2.0
   60    57    59    70   0.20800  1.0 3.0
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
   44    45    43    40   1.00000 -1.0 2.0
   43    47    45    46  10.50000 -1.0 2.0
   54    55    53    50   1.00000 -1.0 2.0
   53    57    55    56  10.50000 -1.0 2.0
END
