* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    140    198     399
    1     0 S   NP   _N1_     1    28.69489    94.59343   -19.55841
    2     1 S   H    _HN1     2     1.02771    84.01600   -70.70294
    3     1 S   H    _H1_     3     1.02954    92.42678    37.56712
    4     1 S   H    _H2_     4     1.02835    34.33297   154.63642
    5     1 S   CT   _CA1     5     1.50229   144.41054   168.63048
    6     5 S   HC   _HA1     6     1.09581   105.12056    50.64113
    7     5 S   CO3  _C1_     7     1.53758   112.51402   -69.17084
    8     7 S   O2Z  _O11     8     1.26350   114.95425   -36.99538
    9     7 S   O2Z  _O12     9     1.26235   114.93668   141.86332
   10     5 S   CT   _CB1    10     1.53040   107.28327   168.35448
   11    10 S   HC   HB11    11     1.09814   108.94753   -50.84552
   12    10 S   HC   HB12    12     1.09803   110.45131    65.48047
   13    10 S   CT   _CG1    13     1.53074   113.05092  -172.16398
   14    13 S   HC   HG11    14     1.09535   110.25869   -66.92162
   15    13 S   HC   HG12    15     1.09632   110.22096    52.36236
   16    13 S   C    _CD1    16     1.51803   112.07074   172.17195
   17    16 S   O    _OE1    17     1.22733   123.05374   -11.73136
   18    16 S   N    _N2_    18     1.38614   112.11445   169.36418
   19    18 S   H    _HN2    19     1.01590   119.11832     1.35754
   20    18 S   CT1  _CA2    20     1.46295   123.03155  -179.76677
   21    20 S   HC   _HA2    21     1.09737   109.33991    -8.22232
   22    20 S   C    _C2_    22     1.53388   108.53820  -123.89201
   23    22 S   O    _O2_    23     1.23022   122.15811  -145.77496
   24    20 S   CT   _CB2    32     1.53396   111.68920   113.58935
   25    24 S   HC   HB21    33     1.09459   109.95803    60.79630
   26    24 S   HC   HB22    34     1.09546   110.35445   178.49156
   27    22 S   N    _N3_    24     1.38479   113.44025    41.53873
   28    27 S   H    _HN3    25     1.01517   118.95129    -0.53668
   29    24 S   S    _SG2    35     1.82902   111.72273   -62.47029
   30    27 S   CT   _CA3    26     1.45454   123.44522   175.05347
   31    30 S   HC   HA31    27     1.09524   109.22424    24.53822
   32    30 S   HC   HA32    28     1.09495   107.12030   141.55424
   33    29 S   CT   _C13    36     1.83384   100.08046   140.60883
   34    33 S   HC   _H3_    37     1.09576   108.83269    50.46155
   35    30 S   CO3  _C3_    29     1.52935   113.14527   -98.92252
   36    35 S   O2Z  _O31    30     1.26400   115.42939   -43.47907
   37    35 S   O2Z  _O32    31     1.26359   114.96164   137.45173
   38    33 S   CO4  _C6_    38     1.51625   106.70541   165.17960
   39    38 S   O    _O18    39     1.23099   121.80969   -86.20575
   40    38 S   CM   _C4_    40     1.48220   118.99293    90.39293
   41    40 S   HC   _H22    41     1.08554   116.06594  -169.53516
   42    40 S   CM   _C5_    42     1.33920   122.73393     7.92102
   43    42 S   CO4  _C7_    43     1.49227   119.72300     4.84751
   44    43 S   O    _O19    44     1.23091   120.60045  -173.67107
   45    42 S   CT   _C18    52     1.50796   122.40708  -177.02356
   46    45 S   HC   _H39    53     1.09693   109.90572  -141.13961
   47    45 S   HC   _H40    54     1.09413   109.13477   -26.14815
   48    33 S   CT   _C12    45     1.52642   112.54802   -72.39418
   49    48 S   HC   _H25    46     1.09659   111.91313    46.19565
   50    45 S   CM   _C8_    55     1.50421   111.47123    98.09983
   51    50 S   HC   _H23    56     1.09009   114.15277    56.10609
   52    48 S   OS   _O20    47     1.43223   110.25133   168.54603
   53    50 S   CM   _C10    57     1.34766   128.31737  -123.52058
   54    52 S   CT   _C17    48     1.42183   112.83994   -90.66144
   55    54 S   HC   _H36    49     1.09326   108.25998   178.01387
   56    54 S   HC   _H37    50     1.09355   111.03105    58.91000
   57    54 S   HC   _H38    51     1.09425   110.30992   -63.42830
   58    53 S   CT   _C14    58     1.50379   124.84235    -2.57101
   59    58 S   HC   _H27    59     1.09434   110.42576   106.59711
   60    58 S   HC   _H28    60     1.09197   113.38112   -14.68542
   61    58 S   HC   _H29    61     1.09546   110.14961  -133.77079
   62    53 S   CT   _C20    62     1.51882   119.71583   178.61874
   63    62 S   HC   _H43    63     1.09795   110.69680     7.05852
   64    62 S   HC   _H44    64     1.09769   108.33583   122.29467
   65    62 S   CT   _C19    65     1.53429   114.48966  -116.14631
   66    65 S   HC   _H41    66     1.09537   108.88745  -175.94730
   67    65 S   HC   _H42    67     1.09719   110.13911   -61.35464
   68    65 S   CM   _C9_    68     1.50431   113.33634    59.96860
   69    68 S   HC   _H24    69     1.08953   114.29542   -81.90972
   70    68 S   CM   _C11    70     1.34619   127.61036    99.82443
   71    70 S   CT   _C15    71     1.50534   120.43222   177.45178
   72    71 S   HC   _H30    72     1.09370   110.46450   119.89676
   73    71 S   HC   _H31    73     1.09516   112.40353    -0.27124
   74    71 S   HC   _H32    74     1.09494   110.15655  -120.29311
   75    70 S   CT   _C16    75     1.50214   124.89706    -2.82805
   76    75 S   HC   _H33    76     1.09469   110.12166   112.19152
   77    75 S   HC   _H34    77     1.09489   110.18028  -128.45125
   78    75 S   HC   _H35    78     1.09266   113.30988    -9.01369
  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
  12   7   2   1   1   9   4   9   3  11   9   4   8   4   3   6
   2  10   3   4  11   3   2   1   1   7   3   2   1   8   5   4
   7   4   3  10   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    48    49    52    54  
   38    39    40    43    48    49    52  
   36    37  
   37  
    0  
   39    40    41    42    43    48    49    52    45  
   40    41    42    48  
   41    42    43    44    48    45    46    47    50  
   42    43    45  
   43    44    48    49    52    45    46    47    50    51    53  
   44    48    49    52    54    45    46    47    50  
   48    49    52    45  
   46    47    50    51    53    58    62    48  
   47    50    51    53  
   50    51    53  
   49    52    54    55    56    57  
   52    54  
   51    53    58    59    60    61    62    63    64    65  
   53    58    62  
   54    55    56    57  
   58    59    60    61    62    63    64    65    66    67    68  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65    66    67    68    69    70  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    71    75  
   67    68    69    70  
   68    69    70  
   69    70    71    72    73    74    75    76    77    78  
   70    71    75  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    48   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   340.000  1.080
   40    42   549.000  1.340
   42    43   320.000  1.462
   42    45   317.000  1.510
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    52   320.000  1.410
   52    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   340.000  1.080
   50    53   549.000  1.340
   53    58   317.000  1.510
   53    62   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.510
   68    69   340.000  1.080
   68    70   549.000  1.340
   70    71   317.000  1.510
   70    75   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    48    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    48    43    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    52    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    40.00000  117.72500
   38    40    42    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    42    43    65.00000  118.96000
   40    42    45    70.00000  124.00000
   42    40    41    35.00000  120.00000
   42    43    44    80.00000  123.72100
   42    43    48    65.00000  118.62400
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    50    70.00000  110.12100
   43    48    49    35.00000  109.50000
   43    48    52    90.00000  108.74100
   48    33    34    37.50000  110.70000
   48    33    38    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    52    54    60.00000  109.50000
   52    48    49    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   45    42    43    65.00000  116.34900
   45    50    51    35.00000  117.00000
   45    50    53    70.00000  124.00000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    53    58    70.00000  124.00000
   50    53    62    70.00000  124.00000
   53    50    51    35.00000  120.00000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   53    62    63    35.00000  109.50000
   53    62    64    35.00000  109.50000
   53    62    65    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    53    58    65.00000  117.92700
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    70.00000  112.02700
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    35.00000  117.00000
   65    68    70    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    70    71    70.00000  124.00000
   68    70    75    70.00000  124.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    74    35.00000  109.50000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    70    71    65.00000  117.92700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    52   0.56750  1.0 1.0
   29    33    48    52  -0.07550 -1.0 2.0
   29    33    48    52   0.20000  1.0 3.0
   33    38    40    41   0.04550  1.0 1.0
   33    38    40    41   0.83000 -1.0 2.0
   33    38    40    41  -0.04000  1.0 3.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   33    48    52    54   0.06250  1.0 1.0
   33    48    52    54  -0.01100 -1.0 2.0
   33    48    52    54   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    43  -0.11250  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    52   0.23400  1.0 3.0
   38    33    48    43   0.11950  1.0 1.0
   38    33    48    43   0.20300 -1.0 2.0
   38    33    48    43  -0.70800  1.0 3.0
   38    33    48    49  -0.11250  1.0 3.0
   38    33    48    52  -0.09450  1.0 1.0
   38    33    48    52  -1.12950 -1.0 2.0
   38    33    48    52   0.54000  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    45   7.00000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   1.00000 -1.0 2.0
   40    42    43    44   1.00000 -1.0 2.0
   40    42    43    48  -0.33500  1.0 1.0
   40    42    43    48   1.06600 -1.0 2.0
   40    42    43    48  -0.14000  1.0 3.0
   40    42    45    46   0.00000  1.0 1.0
   40    42    45    47   0.00000  1.0 1.0
   40    42    45    50  -0.28300  1.0 1.0
   40    42    45    50   0.26700 -1.0 2.0
   40    42    45    50  -0.63300  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    45   7.00000 -1.0 2.0
   42    43   -48    33   0.65300  1.0 1.0
   42    43   -48    33  -0.03850 -1.0 2.0
   42    43   -48    33   0.33900  1.0 3.0
   42    43    48    49   0.00000  1.0 1.0
   42    43    48    52   0.65300  1.0 1.0
   42    43    48    52  -0.03850 -1.0 2.0
   42    43    48    52   0.33900  1.0 3.0
   42    45    50    51   0.00000  1.0 1.0
   42    45    50    53  -0.28300  1.0 1.0
   42    45    50    53   0.26700 -1.0 2.0
   42    45    50    53  -0.63300  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    50   0.09700  1.0 1.0
   43    42    45    50   0.15600 -1.0 2.0
   43    42    45    50  -0.50800  1.0 3.0
   43    48    52    54  -1.11000  1.0 1.0
   43    48    52    54   0.50250 -1.0 2.0
   43    48    52    54   0.47450  1.0 3.0
   44    43    48    33   0.30150 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    52   0.30150 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.65300  1.0 1.0
   48    33   -38    40  -0.03850 -1.0 2.0
   48    33   -38    40   0.33900  1.0 3.0
   48    52    54    55   0.37050  1.0 3.0
   48    52    54    56   0.37050  1.0 3.0
   48    52    54    57   0.37050  1.0 3.0
   49    48    52    54   0.37050  1.0 3.0
   45    42    43    44  -0.64400  1.0 1.0
   45    42    43    44   0.26850 -1.0 2.0
   45    42    43    48   0.25700  1.0 1.0
   45    42    43    48   0.66200 -1.0 2.0
   45    42    43    48   0.04450  1.0 3.0
   45    50    53    58   7.00000 -1.0 2.0
   45    50    53    62   7.00000 -1.0 2.0
   46    45    50    51   0.33100  1.0 3.0
   46    45    50    53   0.00000  1.0 1.0
   47    45    50    51   0.33100  1.0 3.0
   47    45    50    53   0.00000  1.0 1.0
   50    53    58    59   0.00000  1.0 1.0
   50    53    58    60   0.00000  1.0 1.0
   50    53    58    61   0.00000  1.0 1.0
   50    53    62    63   0.00000  1.0 1.0
   50    53    62    64   0.00000  1.0 1.0
   50    53    62    65   0.09850  1.0 1.0
   50    53    62    65   0.15250 -1.0 2.0
   50    53    62    65  -0.50650  1.0 3.0
   51    50    53    58   7.00000 -1.0 2.0
   51    50    53    62   7.00000 -1.0 2.0
   53    62    65    66   0.15000  1.0 3.0
   53    62    65    67   0.15000  1.0 3.0
   53    62    65    68   0.31000  1.0 1.0
   53    62    65    68   0.14700 -1.0 2.0
   53    62    65    68   0.07550  1.0 3.0
   58    53    62    63   0.34800  1.0 3.0
   58    53    62    64   0.34800  1.0 3.0
   58    53    62    65   0.46850  1.0 1.0
   58    53    62    65   0.08550 -1.0 2.0
   58    53    62    65   0.09800  1.0 3.0
   62    53    58    59   0.34800  1.0 3.0
   62    53    58    60   0.34800  1.0 3.0
   62    53    58    61   0.34800  1.0 3.0
   62    65    68    69   0.00000  1.0 1.0
   62    65    68    70   0.09850  1.0 1.0
   62    65    68    70   0.15250 -1.0 2.0
   62    65    68    70  -0.50650  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    70    71   7.00000 -1.0 2.0
   65    68    70    75   7.00000 -1.0 2.0
   66    65    68    69   0.33100  1.0 3.0
   66    65    68    70   0.00000  1.0 1.0
   67    65    68    69   0.33100  1.0 3.0
   67    65    68    70   0.00000  1.0 1.0
   68    70    71    72   0.00000  1.0 1.0
   68    70    71    73   0.00000  1.0 1.0
   68    70    71    74   0.00000  1.0 1.0
   68    70    75    76   0.00000  1.0 1.0
   68    70    75    77   0.00000  1.0 1.0
   68    70    75    78   0.00000  1.0 1.0
   69    68    70    71   7.00000 -1.0 2.0
   69    68    70    75   7.00000 -1.0 2.0
   71    70    75    76   0.34800  1.0 3.0
   71    70    75    77   0.34800  1.0 3.0
   71    70    75    78   0.34800  1.0 3.0
   75    70    71    72   0.34800  1.0 3.0
   75    70    71    73   0.34800  1.0 3.0
   75    70    71    74   0.34800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   43    45    42    40   1.10000 -1.0 2.0
   42    48    43    44  10.50000 -1.0 2.0
   45    51    50    53  15.00000 -1.0 2.0
   58    62    53    50  15.00000 -1.0 2.0
   65    69    68    70  15.00000 -1.0 2.0
   71    75    70    68  15.00000 -1.0 2.0
END
