* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    123    199     365
    1     0 S   NP   _N1_     1    28.59481    95.09668   -22.13782
    2     1 S   H    _HN1     2     1.02775    95.86965   -86.43579
    3     1 S   H    _H1_     3     1.02963    83.42827    21.42522
    4     1 S   H    _H2_     4     1.02834    32.17192   158.87945
    5     1 S   CT   _CA1     5     1.50144   141.32100   136.00373
    6     5 S   HC   _HA1     6     1.09579   105.19174    71.85748
    7     5 S   CO3  _C1_     7     1.53757   112.42285   -48.22712
    8     7 S   O2Z  _O11     8     1.26353   114.98389   -42.38992
    9     7 S   O2Z  _O12     9     1.26242   114.91274   136.67589
   10     5 S   CT   _CB1    10     1.53091   107.40009  -170.31629
   11    10 S   HC   HB11    11     1.09825   109.17586   -51.28885
   12    10 S   HC   HB12    12     1.09816   110.45652    65.20611
   13    10 S   CT   _CG1    13     1.53022   112.76213  -172.44290
   14    13 S   HC   HG11    14     1.09596   110.42838   -66.14770
   15    13 S   HC   HG12    15     1.09661   109.96092    53.06962
   16    13 S   C    _CD1    16     1.51846   112.34154   173.28548
   17    16 S   O    _OE1    17     1.22726   123.25935    -1.21869
   18    16 S   N    _N2_    18     1.38647   111.67490   179.29835
   19    18 S   H    _HN2    19     1.01579   118.97970     0.84302
   20    18 S   CT1  _CA2    20     1.46167   123.38796   178.60100
   21    20 S   HC   _HA2    21     1.09739   109.44731    -2.43992
   22    20 S   C    _C2_    22     1.53498   108.29979  -117.98162
   23    22 S   O    _O2_    23     1.23038   122.21234  -143.74731
   24    20 S   CT   _CB2    32     1.53458   111.74782   119.64052
   25    24 S   HC   HB21    33     1.09539   109.73853    55.82794
   26    24 S   HC   HB22    34     1.09412   109.68721   174.76000
   27    22 S   N    _N3_    24     1.38498   113.50011    43.49633
   28    27 S   H    _HN3    25     1.01493   119.00565    -0.27268
   29    24 S   S    _SG2    35     1.82759   111.59898   -64.83472
   30    27 S   CT   _CA3    26     1.45448   123.36263   175.14788
   31    30 S   HC   HA31    27     1.09529   109.14690    26.35414
   32    30 S   HC   HA32    28     1.09493   107.14783   143.35401
   33    29 S   CT   _C10    36     1.84279   101.57816  -170.55975
   34    30 S   CO3  _C3_    29     1.52933   113.15946   -97.05147
   35    34 S   O2Z  _O31    30     1.26397   115.42498   -43.83137
   36    34 S   O2Z  _O32    31     1.26357   114.96368   137.07573
   37    33 S   CM   _C13    37     1.50448   110.26257   179.33618
   38    33 S   CD   _C11    46     1.51693   106.94591    77.64624
   39    38 S   HC   _H11    47     1.10080   120.62994   -67.66221
   40    33 S   CT   _C9_    50     1.54259   114.80720   -46.07896
   41    40 S   HC   _H9_    51     1.09685   109.66617    66.81547
   42    40 S   HC   _H10    52     1.09598   109.24738   -50.88454
   43    37 S   CD   _C14    38     1.50100   132.95772    72.01096
   44    43 S   OM   _O33    39     1.24182   108.20064    -0.92577
   45    40 S   NTH  _N4_    53     1.47234   112.97543  -173.16732
   46    45 S   H    _H8_    54     1.01942   109.40795   -59.41571
   47    43 S   NI   _N6_    40     1.30518   122.86466   178.99595
   48    45 S   CT   _C8_    55     1.46380   112.75165   178.18998
   49    48 S   HC   _H5_    56     1.09649   111.28949    48.31087
   50    47 S   CDX  _C15    41     1.38066   117.91100    -0.31279
   51    48 S   CM   _C4_    57     1.50687   112.36188   -76.41603
   52    51 S   HC   _H6_    58     1.08101   123.64470    76.50422
   53    50 S   NE   _N7_    42     1.37269   121.20028    -0.45197
   54    53 S   H    _H12    43     1.01165   121.01698  -179.56840
   55    50 S   NI   _N8_    48     1.29746   115.85335   179.67434
   56    55 S   H    _H13    49     1.02646   107.05317    -0.09279
   57    51 S   CM   _C5_    59     1.33844   112.42098  -102.09654
   58    57 S   HC   _H7_    60     1.08008   124.37569   177.71852
   59    37 S   CM   _C12    44     1.34792   110.70583  -109.99905
   60    57 S   CT   _C6_    61     1.49397   110.99879     1.63099
   61    60 S   HC   _H3_    62     1.09607   109.59615    99.09882
   62    59 S   NI   _N5_    45     1.37413   112.34063     0.17804
   63    48 S   CT   _C7_    63     1.54786   111.10663   171.46309
   64    63 S   HC   _H4_    64     1.09569   113.83423   -29.81567
   65    60 S   OH   _O35    67     1.41433   112.26330  -139.43711
   66    65 S   HO   _H15    68     0.97204   107.56230   -58.82400
   67    63 S   OH   _O34    65     1.43233   109.02203  -148.91930
   68    67 S   HO   _H14    66     0.97214   107.39591    65.69955
  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  11   5   4   3
  15   2   1   1  14   9   3  11   4   3   7   3  10   4   6  12
   7   6   9   4   5   3   2   1   8   4   1   7   5   1   5   3
   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    59    62    38    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    47    53    59    62    38    39    40    41    42    45    46    48  
   35    36  
   36  
    0  
   43    44    47    50    53    54    59    62    38    39    40    41    42    45  
   39    40    41    42    45    43    53    59    62  
   40    59    62  
   41    42    45    46    48    49    51    63    43    59    62  
   42    45    46    48  
   45    46    48  
   44    47    50    53    59    62    55  
   47    50    59  
   46    48    49    51    52    57    60    63    64    67  
   48    49    51    63  
   50    53    54    59    55    56  
   49    51    52    57    58    60    61    63    64    67    68    65  
   51    52    57    60    63    64    67  
   53    54    59    62    55    56  
   52    57    58    60    61    63    64    67    65  
   57    58    60    63  
   54    59    62    55    56  
   59    62    55  
   56    59  
    0  
   58    60    61    63    64    67    65    66  
   60    61    63    65  
   62  
   61    63    64    67    68    65    66  
   63    64    67    65    66  
    0  
   64    67    68    65    66  
   67    68    65  
   66    67  
    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   0.203600   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  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.313400   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.478000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   45   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.456500   2.1120   1.8750   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.507500   1.8650   1.6500   0.051222218  -2.220205820
   54   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.2800   0.1700  -0.785000   1.8540   1.6400   0.005000000   0.000000000
   56   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.245000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    38   270.000  1.508
   33    40   268.000  1.529
   37    43   320.000  1.464
   37    59   549.000  1.340
   43    44   795.000  1.237
   43    47   500.000  1.261
   47    50   630.000  1.388
   50    53   445.000  1.380
   50    55   650.000  1.285
   53    54   434.000  1.010
   53    59   425.000  1.378
   59    62   405.000  1.380
   62    38   500.000  1.261
   38    39   370.000  1.093
   55    56   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   305.000  1.454
   45    46   500.000  1.015
   45    48   305.000  1.454
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    63   268.000  1.529
   51    52   340.000  1.080
   51    57   549.000  1.340
   57    58   340.000  1.080
   57    60   317.000  1.510
   60    61   340.000  1.090
   60    63   268.000  1.529
   60    65   320.000  1.410
   63    64   340.000  1.090
   63    67   320.000  1.410
   67    68   553.000  0.945
   65    66   553.000  0.945
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    38    75.00000  114.43000
   29    33    40    75.00000  111.63000
   33    37    43    65.00000  117.22000
   33    37    59    70.00000  124.00000
   33    38    62    65.00000  122.10100
   33    38    39    40.00000  113.58700
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    80.00000  111.29100
   37    43    44    90.00000  107.08000
   37    43    47    70.00000  121.86000
   37    59    53    70.00000  124.03900
   37    59    62    70.00000  120.83400
   43    47    50    80.00000  112.72500
   47    43    44    75.00000  134.47000
   47    50    53    75.00000  124.36500
   47    50    55    75.00000  130.08800
   50    53    54    35.00000  119.50000
   50    53    59    75.00000  119.57500
   50    55    56    55.00000  110.29700
   53    59    62    85.00000  113.56000
   59    37    43    60.00000  120.31500
   59    53    54    35.00000  114.50000
   59    62    38    75.00000  115.77100
   62    38    39    45.00000  120.55300
   38    33    37    70.00000  110.51600
   55    50    53    75.00000  124.36500
   40    33    37    70.00000  112.02700
   40    33    38    70.00000  111.76100
   40    45    46    50.00000  109.23200
   40    45    48    75.00000  112.02600
   42    40    41    33.00000  107.80000
   45    40    41    50.00000  110.59500
   45    40    42    50.00000  110.59500
   45    48    49    50.00000  110.59500
   45    48    51    75.00000  110.70900
   45    48    63    80.00000  111.29100
   48    45    46    50.00000  109.23200
   48    51    52    35.00000  117.00000
   48    51    57    70.00000  124.00000
   48    63    60    58.35000  112.70000
   48    63    64    37.50000  110.70000
   48    63    67    50.00000  109.50000
   51    48    49    35.00000  109.50000
   51    57    58    35.00000  120.00000
   51    57    60    70.00000  124.00000
   57    51    52    35.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    63    70.00000  112.02700
   57    60    65    90.00000  110.39200
   60    57    58    35.00000  117.00000
   60    63    64    37.50000  110.70000
   60    63    67    50.00000  109.50000
   60    65    66    55.00000  108.50000
   63    48    49    37.50000  110.70000
   63    48    51    70.00000  112.02700
   63    60    61    37.50000  110.70000
   63    67    68    55.00000  108.50000
   67    63    64    35.00000  109.50000
   65    60    61    35.00000  109.50000
   65    60    63    50.00000  109.50000
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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    37    59   0.42700  1.0 1.0
   29    33    37    59  -0.70350 -1.0 2.0
   29    33    37    59  -0.43150  1.0 3.0
   29    33    38    62   0.00000  1.0 1.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    47   7.00000 -1.0 2.0
   33    37    59    53   7.00000 -1.0 2.0
   33    37   -59    62   7.00000 -1.0 2.0
   33    40    45    46   0.03200  1.0 1.0
   33    40    45    46   0.33800 -1.0 2.0
   33    40    45    48  -0.35450  1.0 1.0
   33    40    45    48   0.44050 -1.0 2.0
   33    40    45    48   0.77100  1.0 3.0
   37    33   -38    62   0.00000  1.0 1.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    45   0.59950  1.0 1.0
   37    33    40    45  -0.21400 -1.0 2.0
   37    33    40    45   0.56200  1.0 3.0
   37    43    47    50   6.00000 -1.0 2.0
   37    59   -62    38   1.00000 -1.0 2.0
   43    37    59    53   7.00000 -1.0 2.0
   43    37    59    62   7.00000 -1.0 2.0
   43    47   -50    53   0.00050  1.0 1.0
   43    47   -50    53   2.00000 -1.0 2.0
   43    47    50    55   0.00050  1.0 1.0
   43    47    50    55   2.00000 -1.0 2.0
   44    43    47    50   6.00000 -1.0 2.0
   47    50    53    54   1.50000 -1.0 2.0
   47    50    53    59   1.00000 -1.0 2.0
   47    50    55    56   6.00000 -1.0 2.0
   50    53   -59    37  -0.54500  1.0 1.0
   50    53   -59    37   1.14150 -1.0 2.0
   50    53    59    62   1.00000 -1.0 2.0
   53    50    55    56  -1.91600  1.0 1.0
   53    50    55    56   8.35800 -1.0 2.0
   53    59    62    38   1.00000 -1.0 2.0
   54    53    59    37   1.00000 -1.0 2.0
   54    53    59    62   1.00000 -1.0 2.0
   59    37    43    44   1.09700  1.0 1.0
   59    37    43    44   0.56350 -1.0 2.0
   59    37    43    44   0.49350  1.0 3.0
   59    37   -43    47   1.09650  1.0 1.0
   59    37   -43    47   0.48950 -1.0 2.0
   59    37   -43    47   0.49400  1.0 3.0
   59    62   -38    33   6.00000 -1.0 2.0
   59    62    38    39   4.00000 -1.0 2.0
   38    33    37    43  -0.28300  1.0 1.0
   38    33    37    43   0.26700 -1.0 2.0
   38    33    37    43  -0.63300  1.0 3.0
   38    33   -37    59  -0.28300  1.0 1.0
   38    33   -37    59   0.26700 -1.0 2.0
   38    33   -37    59  -0.63300  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45   0.59950  1.0 1.0
   38    33    40    45  -0.21400 -1.0 2.0
   38    33    40    45   0.56200  1.0 3.0
   55    50    53    54   1.50000 -1.0 2.0
   55    50    53    59   1.00000 -1.0 2.0
   40    33    37    43   0.09850  1.0 1.0
   40    33    37    43   0.15250 -1.0 2.0
   40    33    37    43  -0.50650  1.0 3.0
   40    33    37    59   0.09850  1.0 1.0
   40    33    37    59   0.15250 -1.0 2.0
   40    33    37    59  -0.50650  1.0 3.0
   40    33    38    62   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    45    48    49   0.28000  1.0 3.0
   40    45    48    51  -0.60800  1.0 1.0
   40    45    48    51   1.10050 -1.0 2.0
   40    45    48    51   0.47000  1.0 3.0
   40    45    48    63  -0.35450  1.0 1.0
   40    45    48    63   0.44050 -1.0 2.0
   40    45    48    63   0.77100  1.0 3.0
   41    40    45    46   0.20000  1.0 3.0
   41    40    45    48   0.28000  1.0 3.0
   42    40    45    46   0.20000  1.0 3.0
   42    40    45    48   0.28000  1.0 3.0
   45    48    51    52   0.00000  1.0 1.0
   45    48    51    57   0.90200  1.0 1.0
   45    48    51    57   0.57900 -1.0 2.0
   45    48    51    57  -0.62100  1.0 3.0
   45    48    63    60   1.85550  1.0 1.0
   45    48    63    60  -0.84100 -1.0 2.0
   45    48    63    64   0.15000  1.0 3.0
   45    48    63    67   4.49050  1.0 1.0
   46    45    48    49   0.20000  1.0 3.0
   46    45    48    51   0.12450  1.0 1.0
   46    45    48    51  -0.40750 -1.0 2.0
   46    45    48    51   0.30300  1.0 3.0
   46    45    48    63   0.03200  1.0 1.0
   46    45    48    63   0.33800 -1.0 2.0
   48    51    57    58   7.00000 -1.0 2.0
   48    51   -57    60   7.00000 -1.0 2.0
   48    63    67    68  -0.11600  1.0 1.0
   48    63    67    68  -0.09450 -1.0 2.0
   48    63    67    68   0.21250  1.0 3.0
   49    48    51    52   0.33100  1.0 3.0
   49    48    51    57   0.00000  1.0 1.0
   49    48    63    60   0.15000  1.0 3.0
   49    48    63    64   0.15000  1.0 3.0
   49    48    63    67   0.23400  1.0 3.0
   51    48   -63    60   0.34400  1.0 1.0
   51    48   -63    60   0.09450 -1.0 2.0
   51    48   -63    60   0.11100  1.0 3.0
   51    48    63    64   0.15000  1.0 3.0
   51    48    63    67   1.05650  1.0 1.0
   51    48    63    67   0.15600 -1.0 2.0
   51    48    63    67   0.53150  1.0 3.0
   51    57    60    61   0.00000  1.0 1.0
   51    57   -60    63   0.09850  1.0 1.0
   51    57   -60    63   0.15250 -1.0 2.0
   51    57   -60    63  -0.50650  1.0 3.0
   51    57    60    65   0.67800  1.0 1.0
   51    57    60    65   0.47050 -1.0 2.0
   51    57    60    65  -0.62500  1.0 3.0
   52    51    57    58   7.00000 -1.0 2.0
   52    51    57    60   7.00000 -1.0 2.0
   57    60   -63    48   0.34400  1.0 1.0
   57    60   -63    48   0.09450 -1.0 2.0
   57    60   -63    48   0.11100  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    67   1.05650  1.0 1.0
   57    60    63    67   0.15600 -1.0 2.0
   57    60    63    67   0.53150  1.0 3.0
   57    60    65    66  -0.07800  1.0 1.0
   57    60    65    66  -0.21500 -1.0 2.0
   57    60    65    66  -0.03150  1.0 3.0
   58    57    60    61   0.33100  1.0 3.0
   58    57    60    63   0.00000  1.0 1.0
   58    57    60    65   0.00000  1.0 1.0
   60    63    67    68  -0.11600  1.0 1.0
   60    63    67    68  -0.09450 -1.0 2.0
   60    63    67    68   0.21250  1.0 3.0
   61    60    63    48   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    67   0.23400  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   63    48    51    52   0.00000  1.0 1.0
   63    48   -51    57   0.09850  1.0 1.0
   63    48   -51    57   0.15250 -1.0 2.0
   63    48   -51    57  -0.50650  1.0 3.0
   63    60    65    66  -0.11600  1.0 1.0
   63    60    65    66  -0.09450 -1.0 2.0
   63    60    65    66   0.21250  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    60    63    48   0.86500  1.0 1.0
   65    60    63    48  -0.17500 -1.0 2.0
   65    60    63    48   0.20800  1.0 3.0
   65    60    63    64   0.23400  1.0 3.0
   65    60    63    67   3.75450  1.0 1.0
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    43    37    59   1.10000 -1.0 2.0
   37    44    43    47  10.50000 -1.0 2.0
   47    53    50    55  10.50000 -1.0 2.0
   54    50    53    59   1.00000 -1.0 2.0
   53    62    59    37   1.10000 -1.0 2.0
   33    39    38    62  10.50000 -1.0 2.0
   48    52    51    57   1.10000 -1.0 2.0
   60    58    57    51   1.10000 -1.0 2.0
END
