* LIGAND DATABASE FILE (OPLS2005)
*
001      66    67    122    185     356
    1     0 S   NP   _N1_     1    28.01830    96.30365   -24.05946
    2     1 S   H    _HN1     2     1.02778   108.70651  -113.06553
    3     1 S   H    _H1_     3     1.02957    80.58122    -6.78715
    4     1 S   H    _H2_     4     1.02836    28.07320   153.84253
    5     1 S   CT   _CA1     5     1.50143   130.67506   102.08286
    6     5 S   HC   _HA1     6     1.09576   105.19985    82.52859
    7     5 S   CO3  _C1_     7     1.53776   112.27053   -37.62923
    8     7 S   O2Z  _O11     8     1.26368   114.99596   -45.56628
    9     7 S   O2Z  _O12     9     1.26227   114.92465   133.36594
   10     5 S   CT   _CB1    10     1.53080   107.40071  -159.61188
   11    10 S   HC   HB11    11     1.09831   109.30941   -50.39407
   12    10 S   HC   HB12    12     1.09814   110.45439    66.14858
   13    10 S   CT   _CG1    13     1.53035   112.68708  -171.43439
   14    13 S   HC   HG11    14     1.09592   110.53092   -64.93823
   15    13 S   HC   HG12    15     1.09658   109.89036    54.27798
   16    13 S   C    _CD1    16     1.51854   112.21159   174.63473
   17    16 S   O    _OE1    17     1.22771   123.23648     2.53667
   18    16 S   N    _N2_    18     1.38517   111.79464  -177.43524
   19    18 S   H    _HN2    19     1.01570   119.25817     3.24564
   20    18 S   CT1  _CA2    20     1.45898   122.85794   178.17887
   21    20 S   HC   _HA2    21     1.09725   108.79629    27.49926
   22    20 S   C    _C2_    22     1.52933   106.79913   -89.67607
   23    22 S   O    _O2_    23     1.23016   122.97925   -29.80585
   24    20 S   CT   _CB2    32     1.53271   112.24908   150.72075
   25    24 S   HC   HB21    33     1.09506   109.66275    55.76809
   26    24 S   HC   HB22    34     1.09397   109.66657   174.33251
   27    22 S   N    _N3_    24     1.38514   112.71934   152.62497
   28    27 S   H    _HN3    25     1.01667   120.34162    -0.82756
   29    24 S   S    _SG2    35     1.83211   110.60189   -65.71665
   30    27 S   CT   _CA3    26     1.45350   122.31652   178.75384
   31    30 S   HC   HA31    27     1.09571   107.39006   -64.06630
   32    30 S   HC   HA32    28     1.09572   107.98568    52.19050
   33    29 S   CT   _C13    36     1.87746   102.24859   168.90499
   34    33 S   OM   _O35    37     1.32590   107.82212   -64.05216
   35    30 S   CO3  _C3_    29     1.52855   114.54958   174.15756
   36    35 S   O2Z  _O31    30     1.26301   116.16686    -5.06566
   37    35 S   O2Z  _O32    31     1.26470   114.36259   175.11160
   38    33 S   CM   _C8_    38     1.54193   111.91045   178.96052
   39    33 S   CT   _C12    50     1.54917   109.53105    55.81994
   40    39 S   HC   _H5_    51     1.10281   108.85260   -72.37499
   41    38 S   CM   _C7_    39     1.35141   124.59663    20.04772
   42    41 S   HC   _H9_    40     1.08144   124.43521     2.47560
   43    39 S   CO3  _C14    52     1.54938   117.84956    49.60546
   44    43 S   O2Z  _O37    53     1.26267   116.51805    46.61329
   45    43 S   O2Z  _O36    54     1.26595   114.55992  -134.16785
   46    41 S   OS   _O33    41     1.37158   127.82111  -179.01981
   47    46 S   CT   _C6_    42     1.43106   114.97558    11.18453
   48    47 S   HC   _H4_    43     1.09743   105.93671  -158.47577
   49    47 S   CT   _C5_    44     1.53942   112.40612   -40.25066
   50    49 S   HC   _H3_    45     1.09593   106.42038   175.05335
   51    47 S   CT   _C16    63     1.53116   109.47481    86.84367
   52    51 S   HC   _H13    64     1.09424   112.17701   -62.29462
   53    51 S   HC   _H14    65     1.09431   111.07953   176.07814
   54    51 S   HC   _H15    66     1.09560   110.04400    55.94618
   55    38 S   CM   _C9_    46     1.48010   116.80953  -162.57730
   56    49 S   CT   _C4_    59     1.53556   111.35962   -68.31218
   57    56 S   HC   _H6_    60     1.09513   112.44826    61.26909
   58    56 S   HC   _H7_    61     1.09545   110.41646   -58.98835
   59    56 S   HC   _H8_    62     1.09567   110.89848  -178.05449
   60    55 S   CM   _C10    47     1.35078   123.49663    13.79941
   61    60 S   CO4  _C11    48     1.49995   119.63060     4.11823
   62    61 S   O    _O34    49     1.23302   120.14470  -176.92559
   63    60 S   CT   _C15    55     1.50388   125.99696  -175.56354
   64    63 S   HC   _H10    56     1.09577   110.54787   131.39288
   65    63 S   HC   _H11    57     1.09210   113.62236    12.57313
   66    63 S   HC   _H12    58     1.09483   110.12018  -108.84962
  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   9   5   4   3
  15   7   2   1   1  14  10   6   8   3   5   2   1  10  13   8
  13   7   5   2   1   1  11   4   2   1   1   6   5   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    55    61    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    49    55    60    61    62    39    40    43    44    45  
   38    41    55    61    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    49    50    55    60    61    39    40    43    63    56  
   40    43    44    45    63    41    55    60    61    62  
   43    44    45    60    61    62  
   42    46    47    48    49    55    60    51  
   46    47    55  
   44    45    60    61    62  
   45    61  
   61  
   47    48    49    50    55    56    51    52    53    54  
   48    49    50    55    60    56    57    58    59    51    52    53    54  
   49    50    55    56    51    52    53    54  
   50    55    60    61    63    56    57    58    59    51    52    53    54  
   55    60    56    57    58    59    51  
   52    53    54    55    56  
   53    54  
   54  
    0  
   60    61    62    63    64    65    66    56    57    58    59  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64    65    66  
   63  
   64    65    66  
   65    66  
   66  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   549.000  1.340
   38    55   380.000  1.444
   41    42   340.000  1.080
   41    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   268.000  1.529
   49    50   340.000  1.090
   49    55   317.000  1.510
   49    56   268.000  1.529
   55    60   549.000  1.340
   60    61   320.000  1.462
   60    63   317.000  1.510
   61    62   570.000  1.229
   61    39   317.000  1.522
   39    40   340.000  1.090
   39    43   317.000  1.522
   43    44   656.000  1.250
   43    45   656.000  1.250
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    55    70.00000  124.00000
   33    39    61    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  109.69300
   38    33    34    85.00000  110.90400
   38    41    42    35.00000  120.00000
   38    41    46    80.00000  120.01400
   38    55    49    70.00000  124.00000
   38    55    60    70.00000  123.01800
   41    46    47    90.00000  111.18400
   46    41    42    55.00000  109.52600
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    51    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    55    70.00000  112.02700
   47    49    56    58.35000  112.70000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   49    47    48    37.50000  110.70000
   49    55    60    70.00000  124.00000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    37.50000  110.70000
   55    38    41    70.00000  123.01800
   55    49    50    35.00000  109.50000
   55    60    61    65.00000  118.96000
   55    60    63    70.00000  124.00000
   60    61    62    80.00000  123.72100
   60    61    39    65.00000  118.62400
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   61    39    40    35.00000  109.50000
   61    39    43    70.00000  107.85200
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    61    62    80.00000  120.40000
   39    43    44    70.00000  117.00000
   39    43    45    70.00000  117.00000
   43    39    40    35.00000  109.50000
   45    43    44    80.00000  126.00000
   63    60    61    65.00000  116.34900
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    55    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    55   0.42700  1.0 1.0
   29    33    38    55  -0.70350 -1.0 2.0
   29    33    38    55  -0.43150  1.0 3.0
   29    33    39    61   0.56750  1.0 1.0
   29    33    39    61  -0.07550 -1.0 2.0
   29    33    39    61   0.20000  1.0 3.0
   29    33    39    40   0.15000  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    38    41    42   7.00000 -1.0 2.0
   33    38    41    46   7.00000 -1.0 2.0
   33    38    55    49   0.35650  1.0 1.0
   33    38    55    49   0.31450 -1.0 2.0
   33    38    55    60  -0.18600  1.0 3.0
   33    39    43    44   0.41150 -1.0 2.0
   33    39    43    45   0.41150 -1.0 2.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    55   0.39000  1.0 1.0
   34    33    38    55  -0.05800 -1.0 2.0
   34    33    38    55  -0.55150  1.0 3.0
   34    33    39    61  -0.09450  1.0 1.0
   34    33    39    61  -1.12950 -1.0 2.0
   34    33    39    61   0.54000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43  -3.35100  1.0 1.0
   34    33    39    43  -0.37050 -1.0 2.0
   34    33    39    43   0.22400  1.0 3.0
   38    33    39    61  -0.98800  1.0 1.0
   38    33    39    61   0.48800 -1.0 2.0
   38    33    39    61   0.76800  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43  -0.98800  1.0 1.0
   38    33    39    43   0.48800 -1.0 2.0
   38    33    39    43   0.76800  1.0 3.0
   38    41    46    47  -2.26850  1.0 1.0
   38    41    46    47   3.39050 -1.0 2.0
   38    55   -60    61   7.00000 -1.0 2.0
   38    55    60    63   7.00000 -1.0 2.0
   41    38    55    49  -0.18600  1.0 3.0
   41    38    55    60   0.28850  1.0 1.0
   41    38    55    60   2.61350 -1.0 2.0
   41    38    55    60   0.78400  1.0 3.0
   41    46    47    48   0.08050  1.0 3.0
   41    46   -47    49  -0.46850  1.0 1.0
   41    46   -47    49   0.09300 -1.0 2.0
   41    46   -47    49  -0.12850  1.0 3.0
   41    46    47    51  -0.46850  1.0 1.0
   41    46    47    51   0.09300 -1.0 2.0
   41    46    47    51  -0.12850  1.0 3.0
   42    41    46    47   0.50000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    55   0.61850  1.0 1.0
   46    47    49    55  -0.22750 -1.0 2.0
   46    47    49    55   0.15300  1.0 3.0
   46    47    49    56   0.62750  1.0 1.0
   46    47    49    56  -0.30950 -1.0 2.0
   46    47    49    56   0.27300  1.0 3.0
   46    47    51    52   0.23400  1.0 3.0
   46    47    51    53   0.23400  1.0 3.0
   46    47    51    54   0.23400  1.0 3.0
   47    49   -55    38   0.98200  1.0 1.0
   47    49   -55    38  -0.11900 -1.0 2.0
   47    49   -55    38   0.24250  1.0 3.0
   47    49    55    60   0.09850  1.0 1.0
   47    49    55    60   0.15250 -1.0 2.0
   47    49    55    60  -0.50650  1.0 3.0
   47    49    56    57   0.15000  1.0 3.0
   47    49    56    58   0.15000  1.0 3.0
   47    49    56    59   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    55   0.15000  1.0 3.0
   48    47    49    56   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    53   0.15000  1.0 3.0
   49    47    51    54   0.15000  1.0 3.0
   49    55    60    61   7.00000 -1.0 2.0
   49    55    60    63   7.00000 -1.0 2.0
   50    49    55    38   0.00000  1.0 1.0
   50    49    55    60   0.00000  1.0 1.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    59   0.15000  1.0 3.0
   55    38    41    42   7.00000 -1.0 2.0
   55    38   -41    46   7.00000 -1.0 2.0
   55    49    56    57   0.15000  1.0 3.0
   55    49    56    58   0.15000  1.0 3.0
   55    49    56    59   0.15000  1.0 3.0
   55    60    61    62   1.00000 -1.0 2.0
   55    60    61    39  -0.33500  1.0 1.0
   55    60    61    39   1.06600 -1.0 2.0
   55    60    61    39  -0.14000  1.0 3.0
   55    60    63    64   0.00000  1.0 1.0
   55    60    63    65   0.00000  1.0 1.0
   55    60    63    66   0.00000  1.0 1.0
   60    61   -39    33   0.65300  1.0 1.0
   60    61   -39    33  -0.03850 -1.0 2.0
   60    61   -39    33   0.33900  1.0 3.0
   60    61    39    40   0.00000  1.0 1.0
   60    61    39    43   0.65300  1.0 1.0
   60    61    39    43  -0.03850 -1.0 2.0
   60    61    39    43   0.33900  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    39    43    44   0.30150 -1.0 2.0
   61    39    43    45   0.30150 -1.0 2.0
   62    61    39    33   0.30150 -1.0 2.0
   62    61    39    40   0.00000  1.0 1.0
   62    61    39    43   0.30150 -1.0 2.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33   -38    55   0.98200  1.0 1.0
   39    33   -38    55  -0.11900 -1.0 2.0
   39    33   -38    55   0.24250  1.0 3.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    45   0.00000  1.0 1.0
   63    60    61    62  -0.64400  1.0 1.0
   63    60    61    62   0.26850 -1.0 2.0
   63    60    61    39   0.25700  1.0 1.0
   63    60    61    39   0.66200 -1.0 2.0
   63    60    61    39   0.04450  1.0 3.0
   56    49    55    38   0.98200  1.0 1.0
   56    49    55    38  -0.11900 -1.0 2.0
   56    49    55    38   0.24250  1.0 3.0
   56    49    55    60   0.09850  1.0 1.0
   56    49    55    60   0.15250 -1.0 2.0
   56    49    55    60  -0.50650  1.0 3.0
   51    47    49    50   0.15000  1.0 3.0
   51    47    49    55   0.34400  1.0 1.0
   51    47    49    55   0.09450 -1.0 2.0
   51    47    49    55   0.11100  1.0 3.0
   51    47    49    56   0.56750  1.0 1.0
   51    47    49    56  -0.07550 -1.0 2.0
   51    47    49    56   0.20000  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
   36    30    35    37  10.50000 -1.0 2.0
   33    55    38    41   1.10000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   38    49    55    60   1.10000 -1.0 2.0
   61    63    60    55   1.10000 -1.0 2.0
   60    39    61    62  10.50000 -1.0 2.0
   44    39    43    45  10.50000 -1.0 2.0
END
