* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    126    200     370
    1     0 S   NP   _N1_     1    28.81947    98.54601   -21.77124
    2     1 S   H    _HN1     2     1.02791    95.63484   -89.89250
    3     1 S   H    _H1_     3     1.02949    61.04012    17.98911
    4     1 S   H    _H2_     4     1.02829    54.36245   162.12075
    5     1 S   CT   _CA1     5     1.50118   152.00534    96.96229
    6     5 S   HC   _HA1     6     1.09575   105.18379   111.36379
    7     5 S   CO3  _C1_     7     1.53770   112.40526    -8.86665
    8     7 S   O2Z  _O11     8     1.26373   115.01159   -44.12331
    9     7 S   O2Z  _O12     9     1.26232   114.93006   134.89929
   10     5 S   CT   _CB1    10     1.53063   107.40663  -130.69237
   11    10 S   HC   HB11    11     1.09839   109.33994   -49.69242
   12    10 S   HC   HB12    12     1.09812   110.47538    66.89284
   13    10 S   CT   _CG1    13     1.53015   112.63538  -170.64308
   14    13 S   HC   HG11    14     1.09579   110.69252   -66.39885
   15    13 S   HC   HG12    15     1.09669   109.75193    52.86243
   16    13 S   C    _CD1    16     1.51807   112.04528   173.31968
   17    16 S   O    _OE1    17     1.22755   123.21538     9.86001
   18    16 S   N    _N2_    18     1.38648   111.80925  -170.24212
   19    18 S   H    _HN2    19     1.01591   119.00247     1.25990
   20    18 S   CT1  _CA2    20     1.46208   123.31667   177.18596
   21    20 S   HC   _HA2    21     1.09747   109.30174     5.16183
   22    20 S   C    _C2_    22     1.53616   108.89625  -110.31967
   23    22 S   O    _O2_    23     1.23077   122.19978  -149.33258
   24    20 S   CT   _CB2    32     1.53523   111.63796   127.09054
   25    24 S   HC   HB21    33     1.09375   109.46082    57.44827
   26    24 S   HC   HB22    34     1.09358   109.41086   176.23277
   27    22 S   N    _N3_    24     1.38298   113.82765    38.20881
   28    27 S   H    _HN3    25     1.01565   119.59472    -3.45360
   29    24 S   S    _SG2    35     1.82987   110.91172   -64.14462
   30    27 S   CT   _CA3    26     1.45287   123.27025   177.09741
   31    30 S   HC   HA31    27     1.09548   107.51927   -64.49778
   32    30 S   HC   HA32    28     1.09555   107.98584    51.95764
   33    29 S   CT   _C7_    36     1.87258   102.85821   174.47816
   34    30 S   CO3  _C3_    29     1.52974   114.03896   173.94398
   35    34 S   O2Z  _O31    30     1.26382   116.05720    -0.67753
   36    34 S   O2Z  _O32    31     1.26423   114.42118   179.38643
   37    33 S   CM   _C8_    37     1.51539   107.67615   -65.95581
   38    37 S   HC   _H9_    38     1.09136   115.04611    70.86281
   39    33 S   CT   _C10    54     1.56472   111.40970    54.17464
   40    39 S   HC   _H3_    55     1.09562   111.75062   -60.54664
   41    37 S   CMA  _C9_    39     1.35684   128.02193  -112.93599
   42    41 S   OM   _O34    40     1.26624   122.96588  -176.45586
   43    39 S   CA   _C11    56     1.48967   118.70149    68.73971
   44    39 S   OS   _O36    68     1.46753   109.13291  -176.09886
   45    41 S   OS   _O33    41     1.40225   117.39384     2.75953
   46    43 S   CA   _C12    57     1.38549   130.81577   -63.86716
   47    46 S   HA   _H10    58     1.08385   121.83590     0.33161
   48    45 S   CT   _C5_    42     1.43362   119.79368    20.74379
   49    46 S   CA   _C13    59     1.40001   118.87547  -179.00732
   50    49 S   HA   _H11    60     1.08706   119.64445  -179.68348
   51    33 S   CT   _C6_    43     1.54621   107.69723   176.64462
   52    51 S   HC   _H7_    44     1.09827   108.09543  -156.10170
   53    51 S   HC   _H8_    45     1.09827   111.74129   -40.73285
   54    48 S   CT   _C4_    46     1.53990   105.69236  -164.26583
   55    54 S   HC   _H4_    47     1.09639   110.99942   -58.54682
   56    54 S   HC   _H5_    48     1.09506   111.60637  -179.73607
   57    54 S   HC   _H6_    49     1.09635   110.99536    59.06552
   58    48 S   CT   _C18    50     1.53468   109.19896    80.30402
   59    58 S   HC   _H14    51     1.09693   110.50208    63.08158
   60    58 S   HC   _H15    52     1.09338   112.49403   -53.85496
   61    58 S   HC   _H16    53     1.09475   111.53515  -176.78204
   62    49 S   CA   _C14    61     1.40286   120.77923     0.70610
   63    62 S   HA   _H12    62     1.08657   119.75236   179.83929
   64    62 S   CA   _C15    63     1.39304   120.26521     0.42567
   65    64 S   HA   _H13    64     1.08432   120.87769   179.14774
   66    43 S   CA   _C16    65     1.38311   109.81845   118.65542
   67    66 S   CO4  _C17    66     1.45156   109.40699     0.25793
   68    67 S   O    _O35    67     1.21447   126.89855  -179.93147
  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  12   5   4   3
  18   2   1   1  12   5  15   6   6   2  12   6  12   8   4  11
   6   3  10   3   2   7   3   2   1   3   2   1   1   5   3   4
   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    48    51    52    53    39    40    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    45    48    51    52    53    54    58    39    40    43    46    66    67    44  
   35    36  
   36  
    0  
   38    41    42    45    48    51    52    53    39    40    43    44  
   41    42    45    51    39  
   40    43    46    47    49    64    66    67    68    44    41    48    51    52    53  
   43    46    66    67    44    51  
   42    45    48    51    54    58  
   45    48  
   46    47    49    50    62    64    65    66    67    68    44    51  
   46    51    64    66    67    68  
   48    51    52    53    54    55    56    57    58    59    60    61  
   47    49    50    62    63    64    66    67  
   49    50    62    66  
   51    52    53    54    55    56    57    58    59    60    61  
   50    62    63    64    65    66  
   62    63    64  
   52    53    54    55    56    57    58    59    60    61  
   53    54    58  
   54    58  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67  
   64    65    66  
   65    66    67    68  
   66    67  
   67    68  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    45   440.000  1.360
   45    48   320.000  1.410
   48    51   268.000  1.529
   48    54   268.000  1.529
   48    58   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    40   340.000  1.090
   39    43   317.000  1.510
   39    44   320.000  1.410
   43    46   469.000  1.400
   43    66   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    50   367.000  1.080
   49    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   310.000  1.470
   67    68   570.000  1.229
   67    44   214.000  1.327
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    53    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    43    70.00000  112.17500
   33    39    44    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    45    80.00000  120.01400
   41    37    38    40.00000  120.50800
   41    45    48    90.00000  111.18400
   45    41    42    65.00000  121.00000
   45    48    51    50.00000  109.50000
   45    48    54    50.00000  109.50000
   45    48    58    50.00000  109.50000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   48    58    59    37.50000  110.70000
   48    58    60    37.50000  110.70000
   48    58    61    37.50000  110.70000
   51    33    37    70.00000  112.02700
   53    51    52    33.00000  107.80000
   54    48    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    48    51    58.35000  112.70000
   58    48    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    51    58.35000  112.70000
   39    43    46    70.00000  120.00000
   39    43    66    70.00000  120.00000
   39    44    67    83.00000  116.90000
   43    39    40    35.00000  109.50000
   43    46    47    35.00000  120.00000
   43    46    49    63.00000  120.00000
   43    66    64    63.00000  120.00000
   43    66    67    60.00000  119.52600
   46    49    50    35.00000  120.00000
   46    49    62    63.00000  120.00000
   49    46    47    35.00000  120.00000
   49    62    63    35.00000  120.00000
   49    62    64    63.00000  120.00000
   62    49    50    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    60.00000  119.52600
   66    43    46    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    68    75.00000  123.78400
   66    67    44    81.00000  111.40000
   44    39    40    35.00000  109.50000
   44    39    43    85.00000  111.85700
   44    67    68    83.00000  123.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.01700  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    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.15000  1.0 3.0
   29    33    39    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
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    45   7.00000 -1.0 2.0
   33    39    43    46   0.04150 -1.0 2.0
   33    39    43    66   0.04150 -1.0 2.0
   33    39    44    67  -0.25900  1.0 1.0
   33    39    44    67  -0.47000 -1.0 2.0
   33    39    44    67   0.11750  1.0 3.0
   37    33    51    48   0.34400  1.0 1.0
   37    33    51    48   0.09450 -1.0 2.0
   37    33    51    48   0.11100  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    53   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.21200  1.0 1.0
   37    33    39    43   0.16900 -1.0 2.0
   37    33    39    43  -1.15100  1.0 3.0
   37    33    39    44   0.61850  1.0 1.0
   37    33    39    44  -0.22750 -1.0 2.0
   37    33    39    44   0.15300  1.0 3.0
   37    41   -45    48  -2.26850  1.0 1.0
   37    41   -45    48   3.39050 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    45   7.00000 -1.0 2.0
   41    45    48    51  -0.46850  1.0 1.0
   41    45    48    51   0.09300 -1.0 2.0
   41    45    48    51  -0.12850  1.0 3.0
   41    45    48    54  -0.46850  1.0 1.0
   41    45    48    54   0.09300 -1.0 2.0
   41    45    48    54  -0.12850  1.0 3.0
   41    45    48    58  -0.46850  1.0 1.0
   41    45    48    58   0.09300 -1.0 2.0
   41    45    48    58  -0.12850  1.0 3.0
   42    41    45    48   2.00000 -1.0 2.0
   45    48   -51    33   0.62750  1.0 1.0
   45    48   -51    33  -0.30950 -1.0 2.0
   45    48   -51    33   0.27300  1.0 3.0
   45    48    51    52   0.23400  1.0 3.0
   45    48    51    53   0.23400  1.0 3.0
   45    48    54    55   0.23400  1.0 3.0
   45    48    54    56   0.23400  1.0 3.0
   45    48    54    57   0.23400  1.0 3.0
   45    48    58    59   0.23400  1.0 3.0
   45    48    58    60   0.23400  1.0 3.0
   45    48    58    61   0.23400  1.0 3.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    41   0.09850  1.0 1.0
   51    33   -37    41   0.15250 -1.0 2.0
   51    33   -37    41  -0.50650  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    33    39    43  -0.03700  1.0 1.0
   51    33    39    43   0.37200 -1.0 2.0
   51    33    39    43  -0.47300  1.0 3.0
   51    33    39    44   0.62750  1.0 1.0
   51    33    39    44  -0.30950 -1.0 2.0
   51    33    39    44   0.27300  1.0 3.0
   51    48    54    55   0.15000  1.0 3.0
   51    48    54    56   0.15000  1.0 3.0
   51    48    54    57   0.15000  1.0 3.0
   51    48    58    59   0.15000  1.0 3.0
   51    48    58    60   0.15000  1.0 3.0
   51    48    58    61   0.15000  1.0 3.0
   54    48    51    33   0.56750  1.0 1.0
   54    48    51    33  -0.07550 -1.0 2.0
   54    48    51    33   0.20000  1.0 3.0
   54    48    51    52   0.15000  1.0 3.0
   54    48    51    53   0.15000  1.0 3.0
   54    48    58    59   0.15000  1.0 3.0
   54    48    58    60   0.15000  1.0 3.0
   54    48    58    61   0.15000  1.0 3.0
   58    48    51    33   0.56750  1.0 1.0
   58    48    51    33  -0.07550 -1.0 2.0
   58    48    51    33   0.20000  1.0 3.0
   58    48    51    52   0.15000  1.0 3.0
   58    48    51    53   0.15000  1.0 3.0
   58    48    54    55   0.15000  1.0 3.0
   58    48    54    56   0.15000  1.0 3.0
   58    48    54    57   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    51    48   0.56750  1.0 1.0
   39    33    51    48  -0.07550 -1.0 2.0
   39    33    51    48   0.20000  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33    51    53   0.15000  1.0 3.0
   39    43    46    47   3.62500 -1.0 2.0
   39    43    46    49   3.62500 -1.0 2.0
   39    43    66    64   3.62500 -1.0 2.0
   39    43   -66    67   3.62500 -1.0 2.0
   40    39    43    46   0.00000  1.0 1.0
   40    39    43    66   0.00000  1.0 1.0
   40    39    44    67   0.08050  1.0 3.0
   43    39   -44    67  -0.43900 -1.0 2.0
   43    39   -44    67   0.14100  1.0 3.0
   43    46    49    50   3.62500 -1.0 2.0
   43    46    49    62   3.62500 -1.0 2.0
   43    66    67    68   1.05000 -1.0 2.0
   43    66   -67    44   0.98750 -1.0 2.0
   46    43    66    64   3.62500 -1.0 2.0
   46    43    66    67   3.62500 -1.0 2.0
   46    49    62    63   3.62500 -1.0 2.0
   46    49   -62    64   3.62500 -1.0 2.0
   47    46    49    50   3.62500 -1.0 2.0
   47    46    49    62   3.62500 -1.0 2.0
   49    62    64    65   3.62500 -1.0 2.0
   49    62    64    66   3.62500 -1.0 2.0
   50    49    62    63   3.62500 -1.0 2.0
   50    49    62    64   3.62500 -1.0 2.0
   62    64   -66    43   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   1.05000 -1.0 2.0
   64    66    67    44   0.98750 -1.0 2.0
   65    64    66    43   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   66    43    46    47   3.62500 -1.0 2.0
   66    43   -46    49   3.62500 -1.0 2.0
   66    67   -44    39   0.59950  1.0 1.0
   66    67   -44    39   3.24850 -1.0 2.0
   68    67    44    39   3.00000 -1.0 2.0
   44    39    43    46   0.64500  1.0 1.0
   44    39    43    46   0.14800 -1.0 2.0
   44    39    43    46   0.20650  1.0 3.0
   44    39   -43    66   0.64500  1.0 1.0
   44    39   -43    66   0.14800 -1.0 2.0
   44    39   -43    66   0.20650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   42    45    41    37   1.10000 -1.0 2.0
   46    66    43    39   4.00000 -1.0 2.0
   49    47    46    43   1.10000 -1.0 2.0
   62    50    49    46   1.10000 -1.0 2.0
   64    63    62    49   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   64    67    66    43   4.00000 -1.0 2.0
   66    44    67    68  10.50000 -1.0 2.0
END
