* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    119    195     356
    1     0 S   NP   _N1_     1    28.55321    95.26157   -22.23065
    2     1 S   H    _HN1     2     1.02958    82.64623    26.76521
    3     1 S   H    _H1_     3     1.02836    32.75681   165.07509
    4     1 S   H    _H2_     4     1.02779    96.07271   -80.99679
    5     1 S   CT   _CA1     5     1.50106   141.66044   140.56364
    6     5 S   HC   _HA1     6     1.09574   105.24559    73.05435
    7     5 S   CO3  _C1_     7     1.53785   112.39779   -47.19531
    8     7 S   O2Z  _O11     8     1.26358   115.00537   -44.11161
    9     7 S   O2Z  _O12     9     1.26237   114.92127   135.13950
   10     5 S   CT   _CB1    10     1.53101   107.44099  -169.01457
   11    10 S   HC   HB11    11     1.09825   109.35118   -50.84487
   12    10 S   HC   HB12    12     1.09819   110.40992    65.70769
   13    10 S   CT   _CG1    13     1.53011   112.66456  -171.94197
   14    13 S   HC   HG11    14     1.09595   110.46101   -63.61142
   15    13 S   HC   HG12    15     1.09653   109.96895    55.61065
   16    13 S   C    _CD1    16     1.51812   112.32884   175.99225
   17    16 S   O    _OE1    17     1.22721   123.27218    -1.42161
   18    16 S   N    _N2_    18     1.38642   111.63548   178.69944
   19    18 S   H    _HN2    19     1.01587   119.02294     1.24175
   20    18 S   CT1  _CA2    20     1.46166   123.36294   179.72375
   21    20 S   HC   _HA2    21     1.09737   109.38726    -7.15174
   22    20 S   C    _C2_    22     1.53470   108.43627  -122.73642
   23    22 S   O    _O2_    23     1.23027   122.18554  -145.84453
   24    20 S   CT   _CB2    32     1.53375   111.62753   114.84962
   25    24 S   HC   HB21    33     1.09597   110.07116    55.88814
   26    24 S   HC   HB22    34     1.09456   109.98662   174.74767
   27    22 S   N    _N3_    24     1.38486   113.45199    41.51488
   28    27 S   H    _HN3    25     1.01512   118.95773    -0.65282
   29    24 S   S    _SG2    35     1.82906   111.81867   -64.93603
   30    27 S   CT   _CA3    26     1.45459   123.51084   175.04560
   31    30 S   HC   HA31    27     1.09516   109.33468    22.69754
   32    30 S   HC   HA32    28     1.09497   107.10483   139.72737
   33    29 S   CT   _C11    36     1.83787    99.35485   178.93357
   34    33 S   HC   _H4_    37     1.09745   104.02189   -46.67286
   35    30 S   CO3  _C3_    29     1.52919   113.01890  -100.83638
   36    35 S   O2Z  _O31    30     1.26409   115.36703   -45.09021
   37    35 S   O2Z  _O32    31     1.26348   115.00255   135.80524
   38    33 S   CA   _C12    38     1.51454   116.09072    72.98992
   39    33 S   CT   _C10    59     1.53773   109.96533  -162.65718
   40    39 S   HC   _H3_    60     1.09970   108.01670    50.55970
   41    38 S   CA   _C13    39     1.40516   124.09884    21.37264
   42    41 S   HA   _H9_    40     1.08636   121.36687     0.33455
   43    39 S   OH   _O34    61     1.43272   110.39537   -66.16901
   44    43 S   HO   _H15    62     0.97308   107.05483    52.90070
   45    41 S   CA   _C14    41     1.39670   121.05435  -179.91607
   46    45 S   HA   _H10    42     1.08647   119.85288   179.57942
   47    45 S   CA   _C15    43     1.38979   120.16306    -0.75537
   48    47 S   HA   _H11    44     1.08599   120.16274  -179.70129
   49    47 S   CA   _C16    45     1.39187   119.69020    -0.59873
   50    49 S   HA   _H12    46     1.08760   118.92987  -178.12988
   51    38 S   CA   _C17    47     1.40536   117.52602  -160.77051
   52    51 S   N    _N4_    48     1.42857   120.78908    -0.80162
   53    52 S   CA   _C7_    49     1.44494   115.17415   -68.29516
   54    52 S   C    _C18    63     1.41427   122.38991   122.70545
   55    54 S   O    _O33    64     1.23358   125.30564   171.43331
   56    53 S   CA   _C6_    50     1.41405   117.59331  -129.96186
   57    56 S   HA   _H7_    51     1.08789   120.93915     1.03079
   58    54 S   N    _N5_    65     1.38216   115.61480   -12.93283
   59    58 S   H    _H13    66     1.01245   123.73802    -3.75494
   60    58 S   H    _H14    67     1.01392   119.65304  -178.82497
   61    56 S   CA   _C5_    52     1.39543   122.18296   177.93825
   62    61 S   HA   _H6_    53     1.08604   120.00825  -179.36449
   63    61 S   CA   _C4_    54     1.38359   119.74953    -0.10835
   64    63 S   HA   _H5_    55     1.08566   120.39598  -179.95154
   65    63 S   CA   _C9_    56     1.39168   119.37391     0.16313
   66    65 S   HA   _H8_    57     1.08930   118.13359   179.11045
   67    53 S   CA   _C8_    58     1.41645   124.35251    47.84183
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  15  12   5   8   4   4   1   6   3   5   3
   5   2   7  11  11   6   3   7   4   2   1   1   6   3   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    51    67    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    49    51    52    53    65    67    39    40    43    44  
   38    41    51    67    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    47    49    50    51    52    53    67    39    40    43    54  
   40    43    44    41    51    52    53    56    63    65    66    67  
   43    44    53    65    67  
   42    45    46    47    48    49    51    52  
   45    46    47    51  
   44    53    65    67  
   67  
   46    47    48    49    50    51  
   47    48    49  
   48    49    50    51    52  
   49    50    51  
   50    51    52    53    54  
   51    52  
   52    53    56    67    54    55    58  
   53    56    57    61    65    67    54    55    58    59    60  
   56    57    61    62    63    65    66    67    54    55    58  
   55    58    59    60    56    67  
   58    59    60  
   57    61    62    63    64    65    67  
   61    62    63    67  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65  
   64    65    66    67  
   65    66    67  
   66    67  
   67  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.2500   0.1700  -0.292500   1.8100   1.6000   0.054801302  -1.445846770
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.869600   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.616300   1.8100   1.6000   0.001000000  -1.480495490
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.959200   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   60   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
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   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    51   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   360.000  1.404
   52    53   360.000  1.404
   52    54   490.000  1.335
   53    56   469.000  1.400
   53    67   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    39   317.000  1.510
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   54    55   570.000  1.229
   54    58   490.000  1.335
   58    59   434.000  1.010
   58    60   434.000  1.010
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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    51    70.00000  120.00000
   33    39    67    70.00000  112.17500
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    51    49    63.00000  120.00000
   38    51    52    70.00000  119.01900
   41    45    46    35.00000  120.00000
   41    45    47    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    51    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    51    52    70.00000  119.01900
   51    38    41    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    52    53    75.00000  115.74000
   51    52    54    65.00000  121.96500
   52    53    56    70.00000  119.01900
   52    53    67    70.00000  119.01900
   52    54    55    80.00000  122.90000
   52    54    58    90.00000  111.91700
   53    56    57    35.00000  120.00000
   53    56    61    63.00000  120.00000
   53    67    65    63.00000  120.00000
   53    67    39    70.00000  120.00000
   56    61    62    35.00000  120.00000
   56    61    63    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    39    70.00000  120.00000
   67    53    56    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    39    40    35.00000  109.50000
   67    39    43    90.00000  112.51600
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   54    52    53    65.00000  121.96500
   54    58    59    35.00000  119.80000
   54    58    60    35.00000  119.80000
   58    54    55    80.00000  122.90000
   60    58    59    35.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    51  -0.16000  1.0 1.0
   29    33    38    51  -0.03200 -1.0 2.0
   29    33    38    51   0.04500  1.0 3.0
   29    33    39    67   0.56750  1.0 1.0
   29    33    39    67  -0.07550 -1.0 2.0
   29    33    39    67   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    51    49   3.62500 -1.0 2.0
   33    38    51    52   3.62500 -1.0 2.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    51   0.00000  1.0 1.0
   34    33    39    67   0.43200  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    67  -0.94300  1.0 1.0
   38    33    39    67   1.32550 -1.0 2.0
   38    33    39    67  -0.07100  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   1.13150  1.0 1.0
   38    33    39    43  -1.01400 -1.0 2.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    47   3.62500 -1.0 2.0
   38    51    52    53   0.70250  1.0 1.0
   38    51    52    53   1.56150 -1.0 2.0
   38    51    52    54   1.00100  1.0 1.0
   38    51    52    54   0.85050 -1.0 2.0
   41    38    51    49   3.62500 -1.0 2.0
   41    38    51    52   3.62500 -1.0 2.0
   41    45    47    48   3.62500 -1.0 2.0
   41    45   -47    49   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   45    47    49    50   3.62500 -1.0 2.0
   45    47    49    51   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49   -51    38   3.62500 -1.0 2.0
   47    49    51    52   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    51   3.62500 -1.0 2.0
   49    51    52    53   0.70250  1.0 1.0
   49    51    52    53   1.56150 -1.0 2.0
   49    51    52    54   1.00100  1.0 1.0
   49    51    52    54   0.85050 -1.0 2.0
   50    49    51    38   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   51    38    41    42   3.62500 -1.0 2.0
   51    38   -41    45   3.62500 -1.0 2.0
   51    52    53    56   0.70250  1.0 1.0
   51    52    53    56   1.56150 -1.0 2.0
   51    52    53    67   0.70250  1.0 1.0
   51    52    53    67   1.56150 -1.0 2.0
   51    52    54    55   0.04000 -1.0 2.0
   51    52    54    58   0.54900  1.0 1.0
   51    52    54    58   1.90750 -1.0 2.0
   52    53    56    57   3.62500 -1.0 2.0
   52    53    56    61   3.62500 -1.0 2.0
   52    53    67    65   3.62500 -1.0 2.0
   52    53    67    39   3.62500 -1.0 2.0
   52    54    58    59   2.56700 -1.0 2.0
   52    54    58    60   2.56700 -1.0 2.0
   53    52    54    55   0.04000 -1.0 2.0
   53    52    54    58   0.54900  1.0 1.0
   53    52    54    58   1.90750 -1.0 2.0
   53    56    61    62   3.62500 -1.0 2.0
   53    56    61    63   3.62500 -1.0 2.0
   53    67    39    33   0.04150 -1.0 2.0
   53    67    39    40   0.00000  1.0 1.0
   53    67    39    43   0.14300 -1.0 2.0
   53    67    39    43   0.00300  1.0 3.0
   56    53    67    65   3.62500 -1.0 2.0
   56    53    67    39   3.62500 -1.0 2.0
   56    61    63    64   3.62500 -1.0 2.0
   56    61   -63    65   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    63   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63    65    67   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65   -67    53   3.62500 -1.0 2.0
   63    65    67    39   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    39    33   0.04150 -1.0 2.0
   65    67    39    40   0.00000  1.0 1.0
   65    67    39    43   0.14300 -1.0 2.0
   65    67    39    43   0.00300  1.0 3.0
   66    65    67    53   3.62500 -1.0 2.0
   66    65    67    39   3.62500 -1.0 2.0
   67    53    56    57   3.62500 -1.0 2.0
   67    53   -56    61   3.62500 -1.0 2.0
   67    39    43    44   0.31900  1.0 1.0
   67    39    43    44  -0.11800 -1.0 2.0
   67    39    43    44   0.38750  1.0 3.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33    38    51   0.04150 -1.0 2.0
   40    39    43    44   0.19450  1.0 3.0
   54    52    53    56   1.00100  1.0 1.0
   54    52    53    56   0.85050 -1.0 2.0
   54    52    53    67   1.00100  1.0 1.0
   54    52    53    67   0.85050 -1.0 2.0
   55    54    58    59   2.45000 -1.0 2.0
   55    54    58    60   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    51    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    46    45    41   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   49    52    51    38   4.00000 -1.0 2.0
   53    54    52    51   1.00000 -1.0 2.0
   56    67    53    52   4.00000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   63    62    61    56   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    39    67    53   4.00000 -1.0 2.0
   52    58    54    55  10.50000 -1.0 2.0
   60    54    58    59   1.00000 -1.0 2.0
END
