* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    124    191     358
    1     0 S   NP   _N1_     1    29.97675    97.39531   -23.40908
    2     1 S   H    _HN1     2     1.03478   143.26826  -165.43084
    3     1 S   H    _H1_     3     1.02752    73.23261   -67.53496
    4     1 S   H    _H2_     4     1.02896    42.39263   150.02753
    5     1 S   CT   _CA1     5     1.50554   100.86465    42.06147
    6     5 S   HC   _HA1     6     1.09653   104.21577   107.32212
    7     5 S   CO3  _C1_     7     1.54376   112.21430    -8.43329
    8     7 S   O2Z  _O11     8     1.26074   116.43425  -145.63941
    9     7 S   O2Z  _O12     9     1.26571   114.17626    34.65463
   10     5 S   CT   _CB1    10     1.53230   106.80666  -136.23712
   11    10 S   HC   HB11    11     1.09633   109.63159   -36.69244
   12    10 S   HC   HB12    12     1.09797   110.01662    78.98327
   13    10 S   CT   _CG1    13     1.53185   113.06466  -159.13288
   14    13 S   HC   HG11    14     1.09521   111.20268   -95.47825
   15    13 S   HC   HG12    15     1.09408   111.04110    23.83398
   16    13 S   C    _CD1    16     1.51427   109.82536   144.54222
   17    16 S   O    _OE1    17     1.22797   121.80937    83.99432
   18    16 S   N    _N2_    18     1.38517   112.59059   -92.99401
   19    18 S   H    _HN2    19     1.01570   119.24271    -3.82664
   20    18 S   CT1  _CA2    20     1.46215   123.42562   173.51318
   21    20 S   HC   _HA2    21     1.09700   109.30001    -9.80650
   22    20 S   C    _C2_    22     1.53752   108.50017  -125.60809
   23    22 S   O    _O2_    23     1.23053   122.15602  -155.07106
   24    20 S   CT   _CB2    32     1.53292   111.76548   112.69239
   25    24 S   HC   HB21    33     1.09358   109.48083    58.31261
   26    24 S   HC   HB22    34     1.09527   110.42888   176.65549
   27    22 S   N    _N3_    24     1.38349   113.87705    31.59656
   28    27 S   H    _HN3    25     1.01484   119.12937    -1.54015
   29    24 S   S    _SG2    35     1.82554   112.17059   -63.42763
   30    27 S   CT   _CA3    26     1.45324   123.49759   178.46749
   31    30 S   HC   HA31    27     1.09542   107.19233   -72.39727
   32    30 S   HC   HA32    28     1.09552   108.32847    44.07082
   33    29 S   CT   _C15    36     1.85652    99.50433   167.44614
   34    33 S   HC   _H3_    37     1.09723   106.91153    15.08426
   35    30 S   CO3  _C3_    29     1.53039   114.21501   166.22447
   36    35 S   O2Z  _O31    30     1.26441   116.27351    -4.39204
   37    35 S   O2Z  _O32    31     1.26383   114.49048   175.71705
   38    33 S   CT   _C14    38     1.54200   112.02033  -106.47612
   39    38 S   HC   _H27    39     1.09957   109.90338   162.55913
   40    38 S   CA   _C7_    40     1.51958   118.40874    40.31531
   41    38 S   OS   _O20    60     1.44100   104.03756   -85.94379
   42    40 S   CA   _C4_    41     1.40969   120.59283  -105.02216
   43    42 S   HA   _H23    42     1.08814   119.91026    -0.00000
   44    41 S   CO4  _C13    61     1.37312   109.91892   -26.17842
   45    44 S   O    _O18    62     1.22352   123.25254  -174.49733
   46    42 S   CA   _C6_    43     1.39559   120.87646   179.42973
   47    33 S   CT   _C16    63     1.54735   112.94418   139.40313
   48    47 S   OM   _O16    64     1.32202   110.37146  -156.01348
   49    46 S   CA   _C8_    44     1.38818   118.76881    -0.21306
   50    47 S   CT   _C17    65     1.53306   117.16528   -31.59010
   51    50 S   HC   _H29    66     1.09753   111.76558   -54.08918
   52    50 S   HC   _H30    67     1.09942   112.04013  -174.38103
   53    50 S   HC   _H31    68     1.09627   111.99340    67.49111
   54    49 S   CA   _C5_    45     1.39332   121.94640     0.32445
   55    54 S   HA   _H24    46     1.08495   118.48802   179.71264
   56    49 S   OS   _O19    53     1.41025   120.63473  -179.50111
   57    40 S   CA   _C9_    47     1.41459   120.28547    74.49658
   58    56 S   CO4  _C12    54     1.39059   121.58010    -0.23323
   59    58 S   O    _O17    55     1.22567   121.94737  -179.81443
   60    57 S   OS   _O21    48     1.37293   115.85220     0.78235
   61    58 S   CM   _C11    56     1.47414   116.76538     0.18767
   62    61 S   HC   _H26    57     1.08446   117.08990   179.44928
   63    60 S   CT   _C18    49     1.42217   117.41687  -174.60522
   64    63 S   HC   _H32    50     1.09424   107.71738   176.93075
   65    63 S   HC   _H33    51     1.09511   111.21315    59.19571
   66    63 S   HC   _H34    52     1.09477   111.05201   -65.39658
   67    46 S   CM   _C10    58     1.45347   122.31616  -179.86294
   68    67 S   HC   _H25    59     1.08442   119.09778    -0.04846
  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   8   2   1   1  14   6  13   7  10   4   7   3  10   5   4
  10   3   2   1   1   7   3   6   5   5   3   4   3   2   3   2
   1   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    47    48    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    57    41    44    45    47    48    50    51    52    53  
   38    39    40    41    44    47    48    50  
   36    37  
   37  
    0  
   39    40    42    43    46    54    57    60    41    44    45    47    48    50  
   40    42    57    41    44    47  
   42    43    46    49    54    55    57    60    63    67    41    44    47  
   44    45    47    48    50    42    57  
   43    46    49    54    57    60    56    61    67    68  
   46    49    57    67  
   45    47    48    50    51    52    53  
   47    48    50  
   49    54    55    57    56    58    61    62    67    68  
   48    50    51    52    53  
   50    51    52    53  
   54    55    57    60    56    58    59    61    67    68  
   51    52    53  
   52    53  
   53  
    0  
   55    57    60    63    56    58    67  
   57    60    56  
   58    59    61    62    67    57  
   60    63    64    65    66  
   59    61    62    67    68  
   61    62    67  
   63    64    65    66  
   62    67    68  
   67    68  
   64    65    66  
   65    66  
   66  
    0  
   68  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   41   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   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   340.000  1.090
   33    38   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    42   469.000  1.400
   40    57   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    49   469.000  1.400
   46    67   320.000  1.460
   49    54   469.000  1.400
   49    56   450.000  1.364
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    60   450.000  1.364
   60    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    61   320.000  1.462
   61    62   340.000  1.080
   61    67   549.000  1.340
   67    68   340.000  1.080
   41    44   214.000  1.327
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    48   570.000  1.307
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.17500
   33    38    41    50.00000  109.50000
   33    47    44    63.00000  111.10000
   33    47    48    50.00000  109.50000
   33    47    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    42    70.00000  120.00000
   38    40    57    70.00000  120.00000
   38    41    44    83.00000  116.90000
   40    38    39    35.00000  109.50000
   40    42    43    35.00000  120.00000
   40    42    46    63.00000  120.00000
   40    57    54    63.00000  120.00000
   40    57    60    70.00000  120.00000
   42    46    49    63.00000  120.00000
   42    46    67    60.00000  120.93500
   46    42    43    35.00000  120.00000
   46    49    54    63.00000  120.00000
   46    49    56    70.00000  120.00000
   46    67    61    60.00000  123.20500
   46    67    68    40.00000  117.26300
   49    54    55    35.00000  120.00000
   49    54    57    63.00000  120.00000
   49    56    58    85.00000  115.98000
   54    57    60    70.00000  120.00000
   57    40    42    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    60    63    75.00000  111.00000
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   56    49    54    70.00000  120.00000
   56    58    59    83.00000  123.40000
   56    58    61    90.00000  111.29400
   58    61    62    40.00000  117.72500
   58    61    67    65.00000  118.96000
   61    58    59    80.00000  123.72100
   61    67    68    35.00000  120.00000
   67    46    49    60.00000  120.93500
   67    61    62    35.00000  120.00000
   41    38    39    35.00000  109.50000
   41    38    40    85.00000  111.85700
   41    44    45    83.00000  123.40000
   41    44    47    81.00000  111.40000
   44    47    48    90.00000  108.74100
   44    47    50    63.00000  111.10000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    44    45    80.00000  120.40000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    37.50000  110.70000
   50    47    48    50.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    50   0.44750  1.0 1.0
   29    33    47    50  -0.17800 -1.0 2.0
   29    33    47    50   0.20200  1.0 3.0
   33    38    40    42   0.04150 -1.0 2.0
   33    38    40    57   0.04150 -1.0 2.0
   33    38   -41    44  -0.25900  1.0 1.0
   33    38   -41    44  -0.47000 -1.0 2.0
   33    38   -41    44   0.11750  1.0 3.0
   33    47    50    51   0.15000  1.0 3.0
   33    47    50    52   0.15000  1.0 3.0
   33    47    50    53   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.43200  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    47    44  -0.11250  1.0 3.0
   34    33    47    48   0.23400  1.0 3.0
   34    33    47    50   0.15000  1.0 3.0
   38    33   -47    44  -0.95700  1.0 1.0
   38    33   -47    44  -0.18200 -1.0 2.0
   38    33   -47    44   0.29450  1.0 3.0
   38    33    47    48   0.62750  1.0 1.0
   38    33    47    48  -0.30950 -1.0 2.0
   38    33    47    48   0.27300  1.0 3.0
   38    33    47    50   0.56750  1.0 1.0
   38    33    47    50  -0.07550 -1.0 2.0
   38    33    47    50   0.20000  1.0 3.0
   38    40    42    43   3.62500 -1.0 2.0
   38    40    42    46   3.62500 -1.0 2.0
   38    40    57    54   3.62500 -1.0 2.0
   38    40    57    60   3.62500 -1.0 2.0
   38    41    44    45   3.00000 -1.0 2.0
   38    41   -44    47   1.63150  1.0 1.0
   38    41   -44    47   2.92000 -1.0 2.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    57   0.00000  1.0 1.0
   39    38    41    44   0.08050  1.0 3.0
   40    38    41    44  -0.43900 -1.0 2.0
   40    38    41    44   0.14100  1.0 3.0
   40    42    46    49   3.62500 -1.0 2.0
   40    42    46    67   3.62500 -1.0 2.0
   40    57    60    63   1.63200 -1.0 2.0
   42    40    57    54   3.62500 -1.0 2.0
   42    40    57    60   3.62500 -1.0 2.0
   42    46   -49    54   3.62500 -1.0 2.0
   42    46    49    56   3.62500 -1.0 2.0
   42    46    67    61   0.15800  1.0 1.0
   42    46    67    61   1.85350 -1.0 2.0
   42    46    67    61  -0.48700  1.0 3.0
   42    46    67    68   0.56550  1.0 3.0
   43    42    46    49   3.62500 -1.0 2.0
   43    42    46    67   3.62500 -1.0 2.0
   46    49    54    55   3.62500 -1.0 2.0
   46    49    54    57   3.62500 -1.0 2.0
   46    49    56    58   0.01300  1.0 1.0
   46    49    56    58   0.97950 -1.0 2.0
   46    49    56    58  -0.55700  1.0 3.0
   49    46    67    61   0.15800  1.0 1.0
   49    46    67    61   1.85350 -1.0 2.0
   49    46    67    61  -0.48700  1.0 3.0
   49    46    67    68   0.56550  1.0 3.0
   49    54   -57    40   3.62500 -1.0 2.0
   49    54    57    60   3.62500 -1.0 2.0
   49    56    58    59   3.00000 -1.0 2.0
   49    56   -58    61   2.00000 -1.0 2.0
   54    49    56    58   0.01300  1.0 1.0
   54    49    56    58   0.97950 -1.0 2.0
   54    49    56    58  -0.55700  1.0 3.0
   54    57    60    63   1.63200 -1.0 2.0
   55    54    57    40   3.62500 -1.0 2.0
   55    54    57    60   3.62500 -1.0 2.0
   57    40    42    43   3.62500 -1.0 2.0
   57    40   -42    46   3.62500 -1.0 2.0
   57    60    63    64   0.08050  1.0 3.0
   57    60    63    65   0.08050  1.0 3.0
   57    60    63    66   0.08050  1.0 3.0
   56    49    54    55   3.62500 -1.0 2.0
   56    49    54    57   3.62500 -1.0 2.0
   56    58    61    62   1.63100 -1.0 2.0
   56    58    61    67  -0.56150  1.0 1.0
   56    58    61    67   2.19150 -1.0 2.0
   58    61   -67    46   7.00000 -1.0 2.0
   58    61    67    68   7.00000 -1.0 2.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    67   1.00000 -1.0 2.0
   62    61    67    46   7.00000 -1.0 2.0
   62    61    67    68   7.00000 -1.0 2.0
   67    46    49    54   3.62500 -1.0 2.0
   67    46   -49    56   3.62500 -1.0 2.0
   41    38    40    42   0.64500  1.0 1.0
   41    38    40    42   0.14800 -1.0 2.0
   41    38    40    42   0.20650  1.0 3.0
   41    38    40    57   0.64500  1.0 1.0
   41    38    40    57   0.14800 -1.0 2.0
   41    38    40    57   0.20650  1.0 3.0
   41    44   -47    33   0.36750  1.0 3.0
   41    44    47    48   0.40000  1.0 3.0
   41    44    47    50   0.36750  1.0 3.0
   44    47    50    51  -0.11250  1.0 3.0
   44    47    50    52  -0.11250  1.0 3.0
   44    47    50    53  -0.11250  1.0 3.0
   45    44    47    33   0.30150 -1.0 2.0
   45    44    47    48   0.30150 -1.0 2.0
   45    44    47    50   0.30150 -1.0 2.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40  -0.03700  1.0 1.0
   47    33    38    40   0.37200 -1.0 2.0
   47    33    38    40  -0.47300  1.0 3.0
   47    33   -38    41   0.62750  1.0 1.0
   47    33   -38    41  -0.30950 -1.0 2.0
   47    33   -38    41   0.27300  1.0 3.0
   48    47    50    51   0.23400  1.0 3.0
   48    47    50    52   0.23400  1.0 3.0
   48    47    50    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
   37    30    35    36  10.50000 -1.0 2.0
   42    57    40    38   4.00000 -1.0 2.0
   46    43    42    40   1.10000 -1.0 2.0
   49    67    46    42   4.00000 -1.0 2.0
   54    56    49    46   4.00000 -1.0 2.0
   57    55    54    49   1.10000 -1.0 2.0
   54    60    57    40   4.00000 -1.0 2.0
   56    61    58    59  10.50000 -1.0 2.0
   58    62    61    67   1.10000 -1.0 2.0
   46    68    67    61   1.10000 -1.0 2.0
   41    47    44    45  10.50000 -1.0 2.0
END
