* LIGAND DATABASE FILE (OPLS2005)
*
001      65    66    118    180     343
    1     0 S   NP   _N1_     1    28.78914    93.95080   -21.38289
    2     1 S   H    _HN1     2     1.02961    94.52129    12.11714
    3     1 S   H    _H1_     3     1.02839    29.15985   129.65878
    4     1 S   H    _H2_     4     1.02777    87.83817   -96.07948
    5     1 S   CT   _CA1     5     1.50082   139.51084   141.32955
    6     5 S   HC   _HA1     6     1.09559   105.34890    53.31398
    7     5 S   CO3  _C1_     7     1.53878   112.22586   -67.23378
    8     7 S   O2Z  _O11     8     1.26373   114.96164   -46.61978
    9     7 S   O2Z  _O12     9     1.26223   114.97197   132.68916
   10     5 S   CT   _CB1    10     1.53106   107.47287   171.49855
   11    10 S   HC   HB11    11     1.09820   109.76217   -48.79007
   12    10 S   HC   HB12    12     1.09824   110.22812    67.84297
   13    10 S   CT   _CG1    13     1.53006   112.51678  -169.77157
   14    13 S   HC   HG11    14     1.09601   110.48000   -56.93339
   15    13 S   HC   HG12    15     1.09625   110.06324    62.29097
   16    13 S   C    _CD1    16     1.51767   112.21669  -176.98741
   17    16 S   O    _OE1    17     1.22716   123.28014    -4.43173
   18    16 S   N    _N2_    18     1.38608   111.58776   175.00358
   19    18 S   H    _HN2    19     1.01585   119.06913     3.70370
   20    18 S   CT1  _CA2    20     1.46257   123.35266  -174.79730
   21    20 S   HC   _HA2    21     1.09722   109.42915    -9.83193
   22    20 S   C    _C2_    22     1.53341   108.70144  -125.84883
   23    22 S   O    _O2_    23     1.23018   122.16057  -146.41905
   24    20 S   CT   _CB2    32     1.53478   110.91891   111.89362
   25    24 S   HC   HB21    33     1.09592   109.49741    57.64869
   26    24 S   HC   HB22    34     1.09502   110.86612   176.27890
   27    22 S   N    _N3_    24     1.38485   113.41475    40.98534
   28    27 S   H    _HN3    25     1.01524   118.90802    -0.68386
   29    24 S   S    _SG2    35     1.82857   111.53608   -63.82985
   30    27 S   CT   _CA3    26     1.45456   123.49482   175.10631
   31    30 S   HC   HA31    27     1.09519   109.29802    23.15333
   32    30 S   HC   HA32    28     1.09497   107.10591   140.16643
   33    29 S   CT   _C12    36     1.82913    99.15961   149.68663
   34    33 S   HC   _H12    37     1.09327   107.35345   -49.82387
   35    33 S   HC   _H13    38     1.09494   108.21692    67.40038
   36    30 S   CO3  _C3_    29     1.52923   113.07813  -100.36692
   37    36 S   O2Z  _O31    30     1.26405   115.38825   -44.72676
   38    36 S   O2Z  _O32    31     1.26353   114.99303   136.20189
   39    33 S   CT   _C5_    39     1.53686   110.99920  -171.03507
   40    39 S   HC   _H3_    40     1.09833   107.50600   -47.52309
   41    39 S   NE   _N5_    41     1.45706   110.86670    69.38196
   42    41 S   H    _H7_    42     1.01476   116.75607   -72.67722
   43    39 S   NS   _N4_    55     1.50047   110.99139  -164.23425
   44    41 S   CA   _C6_    43     1.38254   125.10718   100.98143
   45    43 S   CT   _C4_    56     1.49135   111.55932   152.24282
   46    45 S   HC   _H4_    57     1.09368   110.14365  -171.44179
   47    45 S   HC   _H5_    58     1.09333   111.24492    66.76621
   48    45 S   HC   _H6_    59     1.09465   109.98198   -54.02099
   49    44 S   CA   _C7_    44     1.40444   118.86436   176.45856
   50    49 S   HA   _H8_    45     1.09009   118.93685     1.85625
   51    49 S   CA   _C8_    46     1.40363   121.95339  -177.82624
   52    51 S   Cl   Cl1_    47     1.72813   116.93206   179.92598
   53    51 S   CA   _C9_    48     1.39794   119.52730    -0.01978
   54    53 S   CA   _C10    49     1.39573   119.80984     0.41022
   55    54 S   HA   _H9_    50     1.08640   120.99305   179.97202
   56    53 S   SY   _S2_    60     1.77333   122.06377   179.61285
   57    56 S   OY   _O35    61     1.44986   108.18849   176.54000
   58    56 S   OY   _O36    62     1.44821   107.57075   -51.56028
   59    44 S   CA   _C11    51     1.39825   124.31595    -0.89591
   60    56 S   NS   _N6_    63     1.70052   101.40145    63.65366
   61    60 S   H    _H10    64     1.02580   116.79817   110.82389
   62    60 S   H    _H11    65     1.02611   116.72528  -109.06418
   63    59 S   SY   _S1_    52     1.76309   119.55757    -3.04195
   64    63 S   OY   _O33    53     1.44904   106.05936   -88.79018
   65    63 S   OY   _O34    54     1.45009   108.00536   140.47023
  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   7   5   4   3
  10   5   4   2   1   1  14   6  10   4  10  11   7   3   2   1
   8   4   9   3  10   9   3   6   4   3   3   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    63    43    45  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    44    49    59    63    64    65    43    45    46    47    48  
   41    42    44    63    43    45  
   42    44    49    50    51    54    59    63    43    45  
   44    49    59    43  
   45    46    47    48    44    54    59    63    64    65  
   49    50    51    52    53    54    55    59    63    64    65  
   46    47    48    59    63    64    65  
   47    48    63  
   48    63  
   63  
   50    51    52    53    54    59    63    56  
   51    52    53    59  
   52    53    54    55    59    56    57    58    60  
   53    54    56  
   54    55    59    63    56    57    58    60    61    62  
   55    59    63    64    65    56    57    58    60  
   59    63    56  
   57    58    60    61    62    59  
   58    60    61    62  
   60    61    62  
   63    64    65  
   61    62  
   62  
    0  
   64    65  
   65  
    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   0.084200   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.254600   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   41   3.3000   0.1700  -0.702500   2.1120   1.8750   0.051222218  -2.220205820
   42   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.2500   0.1700  -0.537600   1.8100   1.6000   0.054801302  -1.445846770
   44   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.022200   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   53   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   57   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   58   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.767800   1.8100   1.6000   0.054801302  -1.445846770
   61   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   64   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   65   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   382.000  1.448
   39    43   300.000  1.458
   41    42   434.000  1.010
   41    44   481.000  1.340
   44    49   469.000  1.400
   44    59   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   300.000  1.725
   51    53   469.000  1.400
   53    54   469.000  1.400
   53    56   225.000  1.779
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    63   225.000  1.779
   63    64   735.000  1.471
   63    65   735.000  1.471
   63    43   245.000  1.722
   43    45   300.000  1.458
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   56    57   735.000  1.471
   56    58   735.000  1.471
   56    60   245.000  1.722
   60    61   500.000  1.020
   60    62   500.000  1.020
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    80.00000  111.61500
   33    39    43    80.00000  110.21000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    35.00000  112.50000
   39    41    44    50.00000  120.00000
   39    43    63    75.00000  117.08200
   39    43    45    75.00000  112.87000
   41    39    40    35.00000  109.50000
   41    44    49    70.00000  120.10000
   41    44    59    70.00000  120.10000
   44    41    42    35.00000  113.50000
   44    49    50    35.00000  120.00000
   44    49    51    63.00000  120.00000
   44    59    54    63.00000  120.00000
   44    59    63    65.00000  117.06700
   49    51    52    75.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    63.00000  120.00000
   51    53    56    65.00000  117.06700
   53    51    52    75.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    59    63.00000  120.00000
   53    56    57   100.00000  107.67100
   53    56    58   100.00000  107.67100
   53    56    60    95.00000  101.59200
   54    59    63    65.00000  117.06700
   59    44    49    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    63    64   100.00000  107.67100
   59    63    65   100.00000  107.67100
   59    63    43    95.00000  101.59200
   63    43    45    75.00000  117.08200
   65    63    64   115.00000  120.17200
   43    39    40    50.00000  109.35000
   43    39    41    85.00000  107.56000
   43    63    64   115.00000  107.22500
   43    63    65   115.00000  107.22500
   43    45    46    50.00000  109.35000
   43    45    47    50.00000  109.35000
   43    45    48    50.00000  109.35000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   56    53    54    65.00000  117.06700
   56    60    61    50.00000  110.93800
   56    60    62    50.00000  110.93800
   58    56    57   115.00000  120.17200
   60    56    57   115.00000  107.22500
   60    56    58   115.00000  107.22500
   62    60    61    35.00000  109.80100
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.00000  1.0 1.0
   33    39    41    44  -0.12500  1.0 1.0
   33    39    41    44  -0.12500 -1.0 2.0
   33    39    41    44   0.25000  1.0 3.0
   33    39    43    63  -0.71500  1.0 1.0
   33    39    43    63  -0.42400 -1.0 2.0
   33    39    43    63   0.18500  1.0 3.0
   33    39    43    45  -0.95050  1.0 1.0
   33    39    43    45   0.53650 -1.0 2.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.22950  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.22950  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    44    49  -1.00000  1.0 1.0
   39    41    44    49   1.25000 -1.0 2.0
   39    41    44    59  -1.00000  1.0 1.0
   39    41    44    59   1.25000 -1.0 2.0
   39    43    45    46   0.15000  1.0 3.0
   39    43    45    47   0.15000  1.0 3.0
   39    43    45    48   0.15000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    44   0.00000  1.0 1.0
   40    39    43    63   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   41    39    43    63   0.23200  1.0 1.0
   41    39    43    63   0.02100 -1.0 2.0
   41    39    43    63   0.24950  1.0 3.0
   41    39    43    45   0.23200  1.0 1.0
   41    39    43    45   0.02100 -1.0 2.0
   41    39    43    45   0.24950  1.0 3.0
   41    44    49    50   3.62500 -1.0 2.0
   41    44    49    51   3.62500 -1.0 2.0
   41    44    59    54   3.62500 -1.0 2.0
   41    44   -59    63   3.62500 -1.0 2.0
   42    41    44    49   1.00000 -1.0 2.0
   42    41    44    59   1.00000 -1.0 2.0
   44    49    51    52   3.62500 -1.0 2.0
   44    49    51    53   3.62500 -1.0 2.0
   44    59    63    64   0.19500  1.0 1.0
   44    59    63    64   0.12000 -1.0 2.0
   44    59    63    65   0.19500  1.0 1.0
   44    59    63    65   0.12000 -1.0 2.0
   44    59    63    43  -0.49050  1.0 1.0
   44    59    63    43   0.22250 -1.0 2.0
   44    59    63    43  -0.39350  1.0 3.0
   49    44    59    54   3.62500 -1.0 2.0
   49    44    59    63   3.62500 -1.0 2.0
   49    51   -53    54   3.62500 -1.0 2.0
   49    51    53    56   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    59   3.62500 -1.0 2.0
   51    53    56    57   0.19500  1.0 1.0
   51    53    56    57   0.12000 -1.0 2.0
   51    53    56    58   0.19500  1.0 1.0
   51    53    56    58   0.12000 -1.0 2.0
   51    53    56    60  -0.49050  1.0 1.0
   51    53    56    60   0.22250 -1.0 2.0
   51    53    56    60  -0.39350  1.0 3.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    56   3.62500 -1.0 2.0
   53    54   -59    44   3.62500 -1.0 2.0
   53    54    59    63   3.62500 -1.0 2.0
   53    56    60    61   1.01100  1.0 1.0
   53    56    60    61  -0.22250 -1.0 2.0
   53    56    60    61   1.33750  1.0 3.0
   53    56    60    62   1.01100  1.0 1.0
   53    56    60    62  -0.22250 -1.0 2.0
   53    56    60    62   1.33750  1.0 3.0
   54    53    56    57   0.19500  1.0 1.0
   54    53    56    57   0.12000 -1.0 2.0
   54    53    56    58   0.19500  1.0 1.0
   54    53    56    58   0.12000 -1.0 2.0
   54    53    56    60  -0.49050  1.0 1.0
   54    53    56    60   0.22250 -1.0 2.0
   54    53    56    60  -0.39350  1.0 3.0
   54    59    63    64   0.19500  1.0 1.0
   54    59    63    64   0.12000 -1.0 2.0
   54    59    63    65   0.19500  1.0 1.0
   54    59    63    65   0.12000 -1.0 2.0
   54    59    63    43  -0.49050  1.0 1.0
   54    59    63    43   0.22250 -1.0 2.0
   54    59    63    43  -0.39350  1.0 3.0
   55    54    59    44   3.62500 -1.0 2.0
   55    54    59    63   3.62500 -1.0 2.0
   59    44    49    50   3.62500 -1.0 2.0
   59    44   -49    51   3.62500 -1.0 2.0
   59    63   -43    39  -0.64500  1.0 1.0
   59    63   -43    39  -1.19050 -1.0 2.0
   59    63   -43    39  -0.04400  1.0 3.0
   59    63    43    45  -0.64500  1.0 1.0
   59    63    43    45  -1.19050 -1.0 2.0
   59    63    43    45  -0.04400  1.0 3.0
   63    43    45    46   0.15000  1.0 3.0
   63    43    45    47   0.15000  1.0 3.0
   63    43    45    48   0.15000  1.0 3.0
   64    63    43    39  -0.30400  1.0 1.0
   64    63    43    39   0.50450 -1.0 2.0
   64    63    43    39   0.65550  1.0 3.0
   64    63    43    45  -0.30400  1.0 1.0
   64    63    43    45   0.50450 -1.0 2.0
   64    63    43    45   0.65550  1.0 3.0
   65    63    43    39  -0.30400  1.0 1.0
   65    63    43    39   0.50450 -1.0 2.0
   65    63    43    39   0.65550  1.0 3.0
   65    63    43    45  -0.30400  1.0 1.0
   65    63    43    45   0.50450 -1.0 2.0
   65    63    43    45   0.65550  1.0 3.0
   43    39    41    42  -0.12500  1.0 1.0
   43    39    41    42  -0.12500 -1.0 2.0
   43    39    41    42   0.25000  1.0 3.0
   43    39   -41    44  -0.12500  1.0 1.0
   43    39   -41    44  -0.12500 -1.0 2.0
   43    39   -41    44   0.25000  1.0 3.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    59   3.62500 -1.0 2.0
   57    56    60    61   1.12100  1.0 1.0
   57    56    60    61   0.54800 -1.0 2.0
   57    56    60    61  -0.29400  1.0 3.0
   57    56    60    62   1.12100  1.0 1.0
   57    56    60    62   0.54800 -1.0 2.0
   57    56    60    62  -0.29400  1.0 3.0
   58    56    60    61   1.12100  1.0 1.0
   58    56    60    61   0.54800 -1.0 2.0
   58    56    60    61  -0.29400  1.0 3.0
   58    56    60    62   1.12100  1.0 1.0
   58    56    60    62   0.54800 -1.0 2.0
   58    56    60    62  -0.29400  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
   37    30    36    38  10.50000 -1.0 2.0
   42    44    41    39   1.00000 -1.0 2.0
   49    59    44    41   4.00000 -1.0 2.0
   51    50    49    44   1.10000 -1.0 2.0
   53    52    51    49   4.00000 -1.0 2.0
   54    56    53    51   4.00000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   54    63    59    44   4.00000 -1.0 2.0
   45    63    43    39   1.00000 -1.0 2.0
   62    56    60    61   1.00000 -1.0 2.0
END
