* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    135    217     403
    1     0 S   NP   _N1_     1    30.51544    98.93983   -25.52268
    2     1 S   H    _HN1     2     1.02855    62.90467   -49.32551
    3     1 S   H    _H1_     3     1.02758    61.62308   179.66898
    4     1 S   H    _H2_     4     1.03478   159.40233  -117.90132
    5     1 S   CT   _CA1     5     1.50086    88.87402    64.91190
    6     5 S   HC   _HA1     6     1.09549   104.88352   118.40848
    7     5 S   CO3  _C1_     7     1.53642   113.34192    -2.16988
    8     7 S   O2Z  _O11     8     1.26391   115.09987   -32.32657
    9     7 S   O2Z  _O12     9     1.26237   114.99230   147.03623
   10     5 S   CT   _CB1    10     1.53008   107.44286  -123.18166
   11    10 S   HC   HB11    11     1.09544   109.39537   -40.13032
   12    10 S   HC   HB12    12     1.09838   110.44446    75.44608
   13    10 S   CT   _CG1    13     1.53256   113.04528  -162.67301
   14    13 S   HC   HG11    14     1.09545   110.92687   -93.75050
   15    13 S   HC   HG12    15     1.09615   111.56118    25.57586
   16    13 S   C    _CD1    16     1.51545   109.32728   146.14786
   17    16 S   O    _OE1    17     1.22782   121.90024    87.69081
   18    16 S   N    _N2_    18     1.38595   112.44004   -88.93731
   19    18 S   H    _HN2    19     1.01582   119.02774    -4.58779
   20    18 S   CT1  _CA2    20     1.46200   123.60998   172.54707
   21    20 S   HC   _HA2    21     1.09723   109.20777   -13.34544
   22    20 S   C    _C2_    22     1.53808   108.35229  -128.94191
   23    22 S   O    _O2_    23     1.23050   122.22352  -153.11066
   24    20 S   CT   _CB2    32     1.53499   111.92311   109.27678
   25    24 S   HC   HB21    33     1.09396   109.51666    56.49215
   26    24 S   HC   HB22    34     1.09449   109.57460   174.82714
   27    22 S   N    _N3_    24     1.38366   113.78699    33.77178
   28    27 S   H    _HN3    25     1.01450   119.11648    -1.39030
   29    24 S   S    _SG2    35     1.82834   111.69493   -66.04630
   30    27 S   CT   _CA3    26     1.45335   123.49271   178.37924
   31    30 S   HC   HA31    27     1.09546   107.15848   -72.22133
   32    30 S   HC   HA32    28     1.09552   108.32494    44.19606
   33    29 S   CT   _C15    36     1.87662   102.47891   164.75506
   34    30 S   CO3  _C3_    29     1.53068   114.30636   166.33817
   35    34 S   O2Z  _O31    30     1.26439   116.31858    -6.13824
   36    34 S   O2Z  _O32    31     1.26399   114.45108   173.99933
   37    33 S   CT   _C14    37     1.54211   111.17636    49.44897
   38    37 S   HC   _H13    38     1.09595   110.94329   -60.82884
   39    37 S   HC   _H14    39     1.09914   109.83097  -177.17860
   40    33 S   CT   _C6_    51     1.55288   109.96169   168.72659
   41    40 S   HC   _H4_    52     1.10423   105.25772   178.44128
   42    37 S   CA   _C9_    40     1.50683   112.36554    63.96970
   43    40 S   CT   _C5_    53     1.55473   113.31746    64.88687
   44    43 S   HC   _H3_    54     1.09835   108.24690   137.52359
   45    42 S   CA   _C10    41     1.40371   119.07395  -148.82112
   46    45 S   HA   _H9_    42     1.08760   120.33480     0.75821
   47    43 S   OS   _O35    55     1.43792   111.14887    20.34762
   48    43 S   CT   _C4_    67     1.52790   117.27767  -101.74996
   49    48 S   HC   _H6_    68     1.09244   112.26240    53.30207
   50    48 S   HC   _H7_    69     1.09232   112.27164   -69.28108
   51    48 S   HC   _H8_    70     1.09650   110.04268   171.37876
   52    45 S   CA   _C11    43     1.39338   120.65952  -179.62518
   53    52 S   HA   _H10    44     1.08622   120.03410  -179.53733
   54    47 S   CT   _C17    56     1.42652   112.65976    43.44337
   55    54 S   HC   _H5_    57     1.09802   109.05731    47.87952
   56    52 S   CA   _C12    45     1.39129   119.91054     0.48618
   57    56 S   HA   _H11    46     1.08677   119.67375  -179.96044
   58    33 S   CT   _C16    58     1.55188   109.11168   -72.27644
   59    58 S   HC   _H15    59     1.09864   110.39674   147.77221
   60    58 S   HC   _H16    60     1.09576   111.03435    32.41232
   61    54 S   CT   _C18    61     1.52731   108.63246   167.27099
   62    61 S   HC   _H17    62     1.09725   109.65520   167.80694
   63    61 S   HC   _H18    63     1.09780   109.60295    49.49946
   64    56 S   CA   _C13    47     1.39539   119.97040     0.33513
   65    61 S   CO3  _C19    64     1.53325   115.59435   -72.01948
   66    65 S   O2Z  _O37    65     1.26123   116.81368   -11.60510
   67    65 S   O2Z  _O36    66     1.26550   113.97663   169.24084
   68    42 S   CA   _C8_    48     1.40536   121.38468    32.81427
   69    64 S   OH   _O34    71     1.36919   115.82312   179.71333
   70    69 S   HO   _H12    72     0.97382   108.76772  -177.87063
   71    68 S   CO4  _C7_    49     1.49233   119.32868     0.20842
   72    71 S   O    _O33    50     1.22870   118.90906   168.26451
  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  13   5   4   3
  20   2   1   1  16   6   5  17   8  11  13   7   8   4  14   5
   2   1   1   6   3  10   7   6   3   7   2   1   5   4   3   5
   2   1   1   4   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    40    58    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    71    40    41    43    54    58    59    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    68    71    72    40    41    43    44    47    54    55    58    59    60    61    48  
   35    36  
   36  
    0  
   38    39    42    45    46    52    64    68    71    40    41    43    54    58    59    60  
   39    42    45    68    40    58  
   42    45    68    40    58  
   41    43    44    47    54    58    59    60    48    49    50    51    42    64    68    71    72  
   43    44    47    58    48    68    71    72  
   45    46    52    53    56    64    68    71    72    58    69  
   44    47    54    55    58    61    48    49    50    51    68    71    72  
   47    54    48    49    50    51    71  
   46    52    53    56    57    64    68    71  
   52    53    56    68  
   54    55    58    59    60    61    62    63    65    48    49    50    51    71  
   49    50    51    54    71  
   50    51  
   51  
    0  
   53    56    57    64    68    69  
   56    57    64  
   55    58    59    60    61    62    63    65    66    67  
   58    59    60    61    62    63    65  
   57    64    68    71    69    70  
   64    68    69  
   59    60    61    62    63    65    71  
   60    61  
   61  
   62    63    65    66    67  
   63    65    66    67  
   65    66    67  
   68    71    72    69    70  
   66    67  
   67  
    0  
   71    72    69    70  
   70    71  
    0  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    58   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.510
   42    45   469.000  1.400
   42    68   469.000  1.400
   45    46   367.000  1.080
   45    52   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    64   469.000  1.400
   64    68   469.000  1.400
   64    69   450.000  1.364
   68    71   310.000  1.470
   71    72   570.000  1.229
   71    40   317.000  1.522
   40    41   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    47   320.000  1.410
   43    48   268.000  1.529
   47    54   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   317.000  1.522
   65    66   656.000  1.250
   65    67   656.000  1.250
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   69    70   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    70.00000  112.17500
   33    40    71    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    58.35000  112.70000
   33    58    54    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    60    37.50000  110.70000
   37    42    45    70.00000  120.00000
   37    42    68    70.00000  120.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    45    46    35.00000  120.00000
   42    45    52    63.00000  120.00000
   42    68    64    63.00000  120.00000
   42    68    71    60.00000  119.52600
   45    52    53    35.00000  120.00000
   45    52    56    63.00000  120.00000
   52    45    46    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    64    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    64    68    63.00000  120.00000
   56    64    69    70.00000  120.00000
   64    56    57    35.00000  120.00000
   64    68    71    60.00000  119.52600
   64    69    70    35.00000  113.00000
   68    42    45    63.00000  120.00000
   68    71    72    75.00000  123.78400
   68    71    40    65.00000  115.47100
   71    40    41    35.00000  109.50000
   71    40    43    63.00000  111.10000
   40    33    37    58.35000  112.70000
   40    71    72    80.00000  120.40000
   40    43    44    37.50000  110.70000
   40    43    47    50.00000  109.50000
   40    43    48    58.35000  112.70000
   43    40    41    37.50000  110.70000
   43    47    54    60.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   47    43    44    35.00000  109.50000
   47    54    55    35.00000  109.50000
   47    54    58    50.00000  109.50000
   47    54    61    50.00000  109.50000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    65    70.00000  109.69300
   58    33    37    58.35000  112.70000
   58    33    40    58.35000  112.70000
   58    54    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    58    58.35000  112.70000
   61    65    66    70.00000  117.00000
   61    65    67    70.00000  117.00000
   63    61    62    33.00000  107.80000
   65    61    62    35.00000  109.50000
   65    61    63    35.00000  109.50000
   67    65    66    80.00000  126.00000
   48    43    44    37.50000  110.70000
   48    43    47    50.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   69    64    68    70.00000  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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    40    71   0.56750  1.0 1.0
   29    33    40    71  -0.07550 -1.0 2.0
   29    33    40    71   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    58    54   0.44750  1.0 1.0
   29    33    58    54  -0.17800 -1.0 2.0
   29    33    58    54   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   33    37    42    45   0.04150 -1.0 2.0
   33    37    42    68   0.04150 -1.0 2.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    47   0.62750  1.0 1.0
   33    40    43    47  -0.30950 -1.0 2.0
   33    40    43    47   0.27300  1.0 3.0
   33    40    43    48   0.56750  1.0 1.0
   33    40    43    48  -0.07550 -1.0 2.0
   33    40    43    48   0.20000  1.0 3.0
   37    33    40    71  -0.95700  1.0 1.0
   37    33    40    71  -0.18200 -1.0 2.0
   37    33    40    71   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    43   0.56750  1.0 1.0
   37    33    40    43  -0.07550 -1.0 2.0
   37    33    40    43   0.20000  1.0 3.0
   37    33    58    54   0.56750  1.0 1.0
   37    33    58    54  -0.07550 -1.0 2.0
   37    33    58    54   0.20000  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    60   0.15000  1.0 3.0
   37    42    45    46   3.62500 -1.0 2.0
   37    42    45    52   3.62500 -1.0 2.0
   37    42    68    64   3.62500 -1.0 2.0
   37    42   -68    71   3.62500 -1.0 2.0
   38    37    42    45   0.00000  1.0 1.0
   38    37    42    68   0.00000  1.0 1.0
   39    37    42    45   0.00000  1.0 1.0
   39    37    42    68   0.00000  1.0 1.0
   42    45    52    53   3.62500 -1.0 2.0
   42    45    52    56   3.62500 -1.0 2.0
   42    68    71    72   1.05000 -1.0 2.0
   42    68    71    40   2.26350  1.0 1.0
   42    68    71    40   0.76750 -1.0 2.0
   42    68    71    40   0.22500  1.0 3.0
   45    42    68    64   3.62500 -1.0 2.0
   45    42    68    71   3.62500 -1.0 2.0
   45    52    56    57   3.62500 -1.0 2.0
   45    52   -56    64   3.62500 -1.0 2.0
   46    45    52    53   3.62500 -1.0 2.0
   46    45    52    56   3.62500 -1.0 2.0
   52    56    64    68   3.62500 -1.0 2.0
   52    56    64    69   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    64   3.62500 -1.0 2.0
   56    64   -68    42   3.62500 -1.0 2.0
   56    64    68    71   3.62500 -1.0 2.0
   56    64    69    70   0.84100 -1.0 2.0
   57    56    64    68   3.62500 -1.0 2.0
   57    56    64    69   3.62500 -1.0 2.0
   64    68    71    72   1.05000 -1.0 2.0
   64    68    71    40   2.26350  1.0 1.0
   64    68    71    40   0.76750 -1.0 2.0
   64    68    71    40   0.22500  1.0 3.0
   68    42    45    46   3.62500 -1.0 2.0
   68    42   -45    52   3.62500 -1.0 2.0
   68    64    69    70   0.84100 -1.0 2.0
   68    71   -40    33   0.05850 -1.0 2.0
   68    71   -40    33   0.17250  1.0 3.0
   68    71    40    41   0.00000  1.0 1.0
   68    71    40    43   0.05850 -1.0 2.0
   68    71    40    43   0.17250  1.0 3.0
   71    40    43    44  -0.11250  1.0 3.0
   71    40    43    47  -0.09450  1.0 1.0
   71    40    43    47  -1.12950 -1.0 2.0
   71    40    43    47   0.54000  1.0 3.0
   71    40    43    48  -0.95700  1.0 1.0
   71    40    43    48  -0.18200 -1.0 2.0
   71    40    43    48   0.29450  1.0 3.0
   72    71    40    33   0.30150 -1.0 2.0
   72    71    40    41   0.00000  1.0 1.0
   72    71    40    43   0.30150 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    42  -0.03700  1.0 1.0
   40    33   -37    42   0.37200 -1.0 2.0
   40    33   -37    42  -0.47300  1.0 3.0
   40    33    58    54   0.56750  1.0 1.0
   40    33    58    54  -0.07550 -1.0 2.0
   40    33    58    54   0.20000  1.0 3.0
   40    33    58    59   0.15000  1.0 3.0
   40    33    58    60   0.15000  1.0 3.0
   40    43   -47    54   0.06250  1.0 1.0
   40    43   -47    54  -0.01100 -1.0 2.0
   40    43   -47    54   0.28050  1.0 3.0
   40    43    48    49   0.15000  1.0 3.0
   40    43    48    50   0.15000  1.0 3.0
   40    43    48    51   0.15000  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    47   0.23400  1.0 3.0
   41    40    43    48   0.15000  1.0 3.0
   43    47    54    55   0.37050  1.0 3.0
   43    47    54    58   0.06250  1.0 1.0
   43    47    54    58  -0.01100 -1.0 2.0
   43    47    54    58   0.28050  1.0 3.0
   43    47    54    61   0.06250  1.0 1.0
   43    47    54    61  -0.01100 -1.0 2.0
   43    47    54    61   0.28050  1.0 3.0
   44    43    47    54   0.37050  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   47    43    48    49   0.23400  1.0 3.0
   47    43    48    50   0.23400  1.0 3.0
   47    43    48    51   0.23400  1.0 3.0
   47    54   -58    33   0.62750  1.0 1.0
   47    54   -58    33  -0.30950 -1.0 2.0
   47    54   -58    33   0.27300  1.0 3.0
   47    54    58    59   0.23400  1.0 3.0
   47    54    58    60   0.23400  1.0 3.0
   47    54    61    62   0.23400  1.0 3.0
   47    54    61    63   0.23400  1.0 3.0
   47    54    61    65  -3.35100  1.0 1.0
   47    54    61    65  -0.37050 -1.0 2.0
   47    54    61    65   0.22400  1.0 3.0
   54    61    65    66   0.41150 -1.0 2.0
   54    61    65    67   0.41150 -1.0 2.0
   55    54    58    33   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    65  -0.11250  1.0 3.0
   58    33    37    38   0.15000  1.0 3.0
   58    33    37    39   0.15000  1.0 3.0
   58    33    37    42  -0.03700  1.0 1.0
   58    33    37    42   0.37200 -1.0 2.0
   58    33    37    42  -0.47300  1.0 3.0
   58    33    40    71  -0.95700  1.0 1.0
   58    33    40    71  -0.18200 -1.0 2.0
   58    33    40    71   0.29450  1.0 3.0
   58    33    40    41   0.15000  1.0 3.0
   58    33   -40    43   0.56750  1.0 1.0
   58    33   -40    43  -0.07550 -1.0 2.0
   58    33   -40    43   0.20000  1.0 3.0
   58    54    61    62   0.15000  1.0 3.0
   58    54    61    63   0.15000  1.0 3.0
   58    54    61    65  -1.63150  1.0 1.0
   58    54    61    65  -0.43550 -1.0 2.0
   58    54    61    65   0.24500  1.0 3.0
   61    54    58    33   0.56750  1.0 1.0
   61    54    58    33  -0.07550 -1.0 2.0
   61    54    58    33   0.20000  1.0 3.0
   61    54    58    59   0.15000  1.0 3.0
   61    54    58    60   0.15000  1.0 3.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    65    67   0.00000  1.0 1.0
   63    61    65    66   0.00000  1.0 1.0
   63    61    65    67   0.00000  1.0 1.0
   48    43    47    54   0.06250  1.0 1.0
   48    43    47    54  -0.01100 -1.0 2.0
   48    43    47    54   0.28050  1.0 3.0
   69    64    68    42   3.62500 -1.0 2.0
   69    64    68    71   3.62500 -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
   35    30    34    36  10.50000 -1.0 2.0
   45    68    42    37   4.00000 -1.0 2.0
   52    46    45    42   1.10000 -1.0 2.0
   56    53    52    45   1.10000 -1.0 2.0
   64    57    56    52   1.10000 -1.0 2.0
   68    69    64    56   4.00000 -1.0 2.0
   64    71    68    42   4.00000 -1.0 2.0
   68    40    71    72  10.50000 -1.0 2.0
   66    61    65    67  10.50000 -1.0 2.0
END
