* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    122    189     357
    1     0 S   NP   _N1_     1    28.89031    98.15542   -22.13036
    2     1 S   H    _HN1     2     1.02786    96.57255   -90.64650
    3     1 S   H    _H1_     3     1.02951    62.46014    16.67061
    4     1 S   H    _H2_     4     1.02829    52.35582   161.79018
    5     1 S   CT   _CA1     5     1.50110   150.77569    99.37323
    6     5 S   HC   _HA1     6     1.09574   105.19964   107.85261
    7     5 S   CO3  _C1_     7     1.53794   112.48612   -12.39013
    8     7 S   O2Z  _O11     8     1.26373   115.00859   -42.00799
    9     7 S   O2Z  _O12     9     1.26244   114.95093   137.17095
   10     5 S   CT   _CB1    10     1.53084   107.42409  -134.14895
   11    10 S   HC   HB11    11     1.09832   109.38348   -49.69455
   12    10 S   HC   HB12    12     1.09814   110.43715    66.91934
   13    10 S   CT   _CG1    13     1.52985   112.60191  -170.67920
   14    13 S   HC   HG11    14     1.09583   110.61708   -65.45059
   15    13 S   HC   HG12    15     1.09671   109.79815    53.77844
   16    13 S   C    _CD1    16     1.51795   112.26341   174.23653
   17    16 S   O    _OE1    17     1.22725   123.30498     6.22397
   18    16 S   N    _N2_    18     1.38654   111.64110  -173.85905
   19    18 S   H    _HN2    19     1.01581   118.92060     1.90742
   20    18 S   CT1  _CA2    20     1.46204   123.40789   177.61640
   21    20 S   HC   _HA2    21     1.09737   109.38233     2.52398
   22    20 S   C    _C2_    22     1.53566   108.61695  -112.94586
   23    22 S   O    _O2_    23     1.23058   122.28133  -148.17660
   24    20 S   CT   _CB2    32     1.53416   111.52947   124.55934
   25    24 S   HC   HB21    33     1.09442   109.70110    56.05621
   26    24 S   HC   HB22    34     1.09444   109.87642   174.93392
   27    22 S   N    _N3_    24     1.38329   113.71347    39.28386
   28    27 S   H    _HN3    25     1.01585   119.59002    -3.29806
   29    24 S   S    _SG2    35     1.82954   111.24576   -65.19824
   30    27 S   CT   _CA3    26     1.45287   123.21631   177.13611
   31    30 S   HC   HA31    27     1.09551   107.50822   -64.63455
   32    30 S   HC   HA32    28     1.09558   107.98729    51.80641
   33    29 S   CT   _C17    36     1.85183   100.83408   179.96574
   34    30 S   CO3  _C3_    29     1.52964   114.07733   173.80540
   35    34 S   O2Z  _O31    30     1.26376   116.06912    -0.67840
   36    34 S   O2Z  _O32    31     1.26429   114.41351   179.38071
   37    33 S   CO4  _C12    37     1.53331   108.88977   170.29518
   38    37 S   O    _O17    38     1.23012   124.07249   -25.16525
   39    33 S   OS   _O19    65     1.42918   113.07315    44.49820
   40    37 S   CM   _C10    39     1.48493   117.49578   159.48626
   41    40 S   HC   _H26    40     1.08473   114.83105   163.23702
   42    39 S   CT   _C18    66     1.42183   116.15690    73.06643
   43    42 S   HC   _H32    67     1.09370   107.85895  -173.44536
   44    42 S   HC   _H33    68     1.09349   110.83197    68.78452
   45    42 S   HC   _H34    69     1.09307   111.77609   -54.69791
   46    40 S   CM   _C11    41     1.34163   123.10652   -14.18783
   47    46 S   CO4  _C13    42     1.50016   118.35905    -5.72293
   48    47 S   O    _O18    43     1.23097   120.73640   177.33046
   49    46 S   CT   _C19    47     1.52908   125.29089   176.77803
   50    49 S   HC   _H35    48     1.10058   105.84642   137.48435
   51    33 S   CT   _C16    44     1.53074   107.43454   -73.28464
   52    51 S   HC   _H30    45     1.09658   110.60834    71.29310
   53    51 S   HC   _H31    46     1.09752   112.37902   -50.55771
   54    49 S   CA   _C9_    49     1.52688   111.99799  -105.66679
   55    49 S   CM   _C15    60     1.51782   114.27579    21.03396
   56    55 S   HC   _H29    61     1.08826   118.05494   -70.28796
   57    54 S   CA   _C7_    50     1.40523   121.59575    56.86997
   58    57 S   HA   _H24    51     1.08704   120.65813    -0.11535
   59    55 S   CM   _C14    62     1.33922   124.09102   110.41128
   60    59 S   HC   _H27    63     1.08485   120.44604   179.62102
   61    59 S   HC   _H28    64     1.08457   121.71830    -0.36477
   62    57 S   CA   _C5_    52     1.39623   120.65339   179.74821
   63    62 S   HA   _H22    53     1.08631   119.92300   179.88131
   64    62 S   CA   _C4_    54     1.39296   120.11211    -0.20936
   65    64 S   HA   _H21    55     1.08613   120.05024  -180.00000
   66    64 S   CA   _C6_    56     1.39296   119.91178    -0.09891
   67    66 S   HA   _H23    57     1.08632   119.98207  -179.90721
   68    54 S   CA   _C8_    58     1.40417   119.87283  -123.88931
   69    68 S   HA   _H25    59     1.08742   120.43399     0.47888
  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
  15   2   1   1  11   5   9   9   3   4   2   1   1  13   8   4
  14   6   2   1   1  12   6   3   8   4   2   1   1   6   3   5
   3   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    51    52    53    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    51    52    53    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    51    52    53    49    39    42  
   40    41    46    51    39  
   42    43    44    45    40    47    51    52    53  
   41    46    47    48    51    49    50    54    55  
   46    47    49  
   43    44    45    51  
   44    45  
   45  
    0  
   47    48    51    52    53    49    50    54    57    68    55    56    59  
   48    51    52    53    49    50    54    55  
   51    52    53    49  
   50    54    57    58    62    66    68    69    55    56    59    60    61    51  
   54    57    68    55    56    59  
   52    53  
   53  
    0  
   57    58    62    63    64    66    67    68    69    55    56    59  
   56    59    60    61    57    68  
   59    60    61  
   58    62    63    64    65    66    68    69  
   62    63    64    68  
   60    61  
   61  
    0  
   63    64    65    66    67    68  
   64    65    66  
   65    66    67    68    69  
   66    67    68  
   67    68    69  
   68    69  
   69  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.396900   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   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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  1.522
   33    51   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    41   340.000  1.080
   40    46   549.000  1.340
   46    47   320.000  1.462
   46    49   317.000  1.510
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   49    50   340.000  1.090
   49    54   317.000  1.510
   49    55   317.000  1.510
   54    57   469.000  1.400
   54    68   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   55    56   340.000  1.080
   55    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    75.00000  110.18000
   29    33    51    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    53    37.50000  110.70000
   33    39    42    60.00000  109.50000
   37    40    41    40.00000  117.72500
   37    40    46    65.00000  118.96000
   40    37    38    80.00000  123.72100
   40    46    47    65.00000  118.96000
   40    46    49    70.00000  124.00000
   46    40    41    35.00000  120.00000
   46    47    48    80.00000  123.72100
   46    47    51    65.00000  118.62400
   46    49    50    35.00000  109.50000
   46    49    54    70.00000  112.99600
   46    49    55    70.00000  110.12100
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   51    33    37    63.00000  111.10000
   51    47    48    80.00000  120.40000
   53    51    52    33.00000  107.80000
   49    46    47    65.00000  116.34900
   49    54    57    70.00000  120.00000
   49    54    68    70.00000  120.00000
   49    55    56    35.00000  117.00000
   49    55    59    70.00000  124.00000
   54    49    50    35.00000  109.50000
   54    57    58    35.00000  120.00000
   54    57    62    63.00000  120.00000
   54    68    66    63.00000  120.00000
   54    68    69    35.00000  120.00000
   57    62    63    35.00000  120.00000
   57    62    64    63.00000  120.00000
   62    57    58    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    35.00000  120.00000
   68    54    57    63.00000  120.00000
   68    66    67    35.00000  120.00000
   55    49    50    35.00000  109.50000
   55    49    54    70.00000  112.99600
   55    59    60    35.00000  120.00000
   55    59    61    35.00000  120.00000
   59    55    56    35.00000  120.00000
   61    59    60    35.00000  117.00000
   39    33    37    90.00000  108.74100
   39    33    51    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.15000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   0.04550  1.0 1.0
   33    37    40    41   0.83000 -1.0 2.0
   33    37    40    41  -0.04000  1.0 3.0
   33    37    40    46  -0.33500  1.0 1.0
   33    37    40    46   1.06600 -1.0 2.0
   33    37    40    46  -0.14000  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    51    47   0.11950  1.0 1.0
   37    33    51    47   0.20300 -1.0 2.0
   37    33    51    47  -0.70800  1.0 3.0
   37    33    51    52  -0.11250  1.0 3.0
   37    33    51    53  -0.11250  1.0 3.0
   37    33    39    42  -1.11000  1.0 1.0
   37    33    39    42   0.50250 -1.0 2.0
   37    33    39    42   0.47450  1.0 3.0
   37    40   -46    47   7.00000 -1.0 2.0
   37    40    46    49   7.00000 -1.0 2.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    46   1.00000 -1.0 2.0
   40    46    47    48   1.00000 -1.0 2.0
   40    46    47    51  -0.33500  1.0 1.0
   40    46    47    51   1.06600 -1.0 2.0
   40    46    47    51  -0.14000  1.0 3.0
   40    46    49    50   0.00000  1.0 1.0
   40    46    49    54   1.44450  1.0 1.0
   40    46    49    54   0.06600 -1.0 2.0
   40    46    49    54   0.29250  1.0 3.0
   40    46    49    55  -0.28300  1.0 1.0
   40    46    49    55   0.26700 -1.0 2.0
   40    46    49    55  -0.63300  1.0 3.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    49   7.00000 -1.0 2.0
   46    47   -51    33   0.65300  1.0 1.0
   46    47   -51    33  -0.03850 -1.0 2.0
   46    47   -51    33   0.33900  1.0 3.0
   46    47    51    52   0.00000  1.0 1.0
   46    47    51    53   0.00000  1.0 1.0
   46    49    54    57   0.18050 -1.0 2.0
   46    49    54    68   0.18050 -1.0 2.0
   46    49    55    56   0.00000  1.0 1.0
   46    49    55    59  -0.28300  1.0 1.0
   46    49    55    59   0.26700 -1.0 2.0
   46    49    55    59  -0.63300  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    54   0.09700  1.0 1.0
   47    46    49    54   0.15600 -1.0 2.0
   47    46    49    54  -0.50800  1.0 3.0
   47    46    49    55   0.09700  1.0 1.0
   47    46    49    55   0.15600 -1.0 2.0
   47    46    49    55  -0.50800  1.0 3.0
   48    47    51    33   0.30150 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    53   0.00000  1.0 1.0
   51    33    37    38   0.30150 -1.0 2.0
   51    33   -37    40   0.65300  1.0 1.0
   51    33   -37    40  -0.03850 -1.0 2.0
   51    33   -37    40   0.33900  1.0 3.0
   51    33    39    42   0.06250  1.0 1.0
   51    33    39    42  -0.01100 -1.0 2.0
   51    33    39    42   0.28050  1.0 3.0
   49    46    47    48  -0.64400  1.0 1.0
   49    46    47    48   0.26850 -1.0 2.0
   49    46    47    51   0.25700  1.0 1.0
   49    46    47    51   0.66200 -1.0 2.0
   49    46    47    51   0.04450  1.0 3.0
   49    54    57    58   3.62500 -1.0 2.0
   49    54    57    62   3.62500 -1.0 2.0
   49    54    68    66   3.62500 -1.0 2.0
   49    54    68    69   3.62500 -1.0 2.0
   49    55    59    60   7.00000 -1.0 2.0
   49    55    59    61   7.00000 -1.0 2.0
   50    49    54    57   0.00000  1.0 1.0
   50    49    54    68   0.00000  1.0 1.0
   50    49    55    56   0.33100  1.0 3.0
   50    49    55    59   0.00000  1.0 1.0
   54    49    55    56   0.00000  1.0 1.0
   54    49    55    59   1.44450  1.0 1.0
   54    49    55    59   0.06600 -1.0 2.0
   54    49    55    59   0.29250  1.0 3.0
   54    57    62    63   3.62500 -1.0 2.0
   54    57    62    64   3.62500 -1.0 2.0
   57    54    68    66   3.62500 -1.0 2.0
   57    54    68    69   3.62500 -1.0 2.0
   57    62    64    65   3.62500 -1.0 2.0
   57    62   -64    66   3.62500 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    64   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64    66    68   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66   -68    54   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   67    66    68    54   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   68    54    57    58   3.62500 -1.0 2.0
   68    54   -57    62   3.62500 -1.0 2.0
   55    49    54    57   0.18050 -1.0 2.0
   55    49    54    68   0.18050 -1.0 2.0
   56    55    59    60   7.00000 -1.0 2.0
   56    55    59    61   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    51    47  -0.09450  1.0 1.0
   39    33    51    47  -1.12950 -1.0 2.0
   39    33    51    47   0.54000  1.0 3.0
   39    33    51    52   0.23400  1.0 3.0
   39    33    51    53   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    41    40    46   1.10000 -1.0 2.0
   47    49    46    40   1.10000 -1.0 2.0
   46    51    47    48  10.50000 -1.0 2.0
   57    68    54    49   4.00000 -1.0 2.0
   62    58    57    54   1.10000 -1.0 2.0
   64    63    62    57   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   66    69    68    54   1.10000 -1.0 2.0
   49    56    55    59  15.00000 -1.0 2.0
   60    61    59    55  15.00000 -1.0 2.0
END
