* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    136    222     398
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02081    92.61558   -64.67893
    3     1 S   H    _H1_     3     1.02096    87.86778    43.95081
    4     1 S   H    _H2_     4     1.02132    33.06563   174.19846
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C16    36     1.85604    98.14250  -158.22075
   34    33 S   Cl   Cl1_    37     1.80547   107.46177   -40.67316
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C17    38     1.53647   107.90801  -159.98054
   39    38 S   N4   _N5_    39     1.36323   116.52772  -107.39019
   40    38 S   CMA  _C18    72     1.34536   123.12241    67.67467
   41    40 S   OM   _O34    73     1.38617   118.67838  -179.97202
   42    40 S   OM   _O35    74     1.38653   118.60246    -0.00000
   43    39 S   C4   _C19    40     1.35183   138.56628   161.40325
   44    43 S   O    _O36    41     1.20952   134.16590     6.43949
   45    39 S   C4T  _C13    44     1.45417   124.41538   -18.75605
   46    45 S   HC   _H5_    45     1.10129   110.87002   -78.22909
   47    43 S   C4T  _C12    42     1.55489    89.74797  -169.55036
   48    47 S   HC   _H4_    43     1.09487   113.08508  -125.42371
   49    45 S   CT   _C14    46     1.51087   110.13191    45.11289
   50    49 S   HC   _H12    47     1.09443   110.47573   179.02622
   51    49 S   HC   _H13    48     1.09574   111.99924    59.20106
   52    33 S   CT   _C15    49     1.55288   107.63777    74.78412
   53    52 S   HC   _H14    50     1.09726   111.96132   -38.90959
   54    52 S   HC   _H15    51     1.10040   109.22622  -155.52059
   55    47 S   N    _N4_    52     1.45956   114.35873   104.84251
   56    55 S   H    _H11    53     1.00895   116.66698  -109.58752
   57    55 S   C    _C11    54     1.38088   122.77177    70.34374
   58    57 S   O    _O33    55     1.22989   125.48361     0.02798
   59    57 S   CT1  _C10    56     1.52376   111.62618  -177.95311
   60    59 S   HC   _H3_    57     1.09670   108.89814   -31.99093
   61    59 S   CA   _C7_    58     1.51136   111.75482    90.35566
   62    59 S   NT   _N6_    69     1.44233   108.17077  -145.98793
   63    62 S   H    _H16    70     1.00635   118.94752  -160.37937
   64    62 S   H    _H17    71     1.00471   118.98722    33.03482
   65    61 S   CA   _C6_    59     1.39421   120.01414   -90.03102
   66    65 S   HA   _H8_    60     1.08647   120.53114     0.00000
   67    65 S   CA   _C5_    61     1.39529   120.00715  -180.00000
   68    67 S   HA   _H7_    62     1.08560   120.00555   179.94065
   69    67 S   CA   _C4_    63     1.39535   119.97156     0.00000
   70    69 S   HA   _H6_    64     1.08638   119.96039   179.86878
   71    69 S   CA   _C9_    65     1.39464   119.99954     0.00000
   72    71 S   HA   _H10    66     1.08646   120.01386   179.92598
   73    61 S   CA   _C8_    67     1.39535   119.96456    89.98461
   74    73 S   HA   _H9_    68     1.08719   120.48746     0.00000
  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
  14   7   2   1   1  13  14   5   1   1   9   4  12   7  10   4
   6   4   3   2   1   1   7   3   9   4  11   6  12   4   1   1
   8   4   6   3   5   3   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    52    53    54    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    45    49    50    51    52    53    54    40    41    42  
   38    39    49    52    53    54    40  
   36    37  
   37  
    0  
   39    43    44    47    45    46    49    52    53    54    40    41    42  
   43    44    47    48    45    46    49    50    51    52    55    40    41    42  
   41    42    43    45    52  
   42  
    0  
   44    47    48    45    46    49    55    56    57  
   47    48    45    55  
   46    49    50    51    52    53    54    55    56    57    47    48  
   49    50    51    52    55    47    48  
   48    49    50    51    52    55    56    57    58    59  
   49    55    56    57  
   50    51    52    53    54    55  
   51    52    53    54  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59    60    61    65    73    62    63    64  
   59    60    61    62  
   60    61    65    66    67    71    73    74    62    63    64  
   61    65    73    62    63    64  
   65    66    67    68    69    71    72    73    74    62    63    64  
   63    64    65    73  
   64  
    0  
   66    67    68    69    70    71    73    74  
   67    68    69    73  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73    74  
   71    72    73  
   72    73    74  
   73    74  
   74  
    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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   245.000  1.781
   33    38   317.000  1.510
   33    52   268.000  1.529
   38    39   400.000  1.384
   38    40   465.000  1.376
   39    43   440.000  1.369
   39    45   305.000  1.456
   43    44   930.000  1.212
   43    47   250.000  1.540
   47    48   340.000  1.090
   47    45   268.000  1.529
   47    55   337.000  1.449
   45    46   340.000  1.090
   45    49   260.000  1.519
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   55    56   434.000  1.010
   55    57   490.000  1.335
   57    58   570.000  1.229
   57    59   317.000  1.522
   59    60   340.000  1.090
   59    61   275.000  1.474
   59    62   305.000  1.457
   61    65   469.000  1.400
   61    73   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   62    63   434.000  1.010
   62    64   434.000  1.010
   40    41   745.000  1.250
   40    42   745.000  1.250
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    85.00000  110.65400
   29    33    38    75.00000  112.20000
   29    33    52    75.00000  111.63000
   33    38    39    70.00000  113.82800
   33    38    40    70.00000  124.00000
   33    52    49    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    54    37.50000  110.70000
   38    33    34    75.00000  111.90500
   38    39    43    50.00000  132.10000
   38    39    45    50.00000  132.70000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  137.10300
   39    43    44    75.00000  131.60000
   39    43    47    95.00000   92.72400
   39    45    47   105.00000   87.49700
   39    45    46    50.00000  112.01000
   39    45    49    80.00000  110.05700
   43    47    48    40.00000  113.37500
   43    47    45   100.00000   86.36000
   43    47    55    75.00000  110.24000
   47    43    44    60.00000  136.58000
   47    45    46    37.50000  110.70000
   47    45    49    65.00000  119.52000
   47    55    56    38.00000  118.40000
   47    55    57    50.00000  121.90000
   45    39    43   100.00000   93.00000
   45    47    48    37.50000  110.70000
   45    49    50    45.00000  111.22300
   45    49    51    45.00000  111.22300
   45    49    52    70.00000  112.98000
   49    45    46    45.00000  112.72800
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   51    49    50    33.00000  107.80000
   52    33    34    69.00000  109.80000
   52    33    38    70.00000  112.02700
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    47    48    50.00000  112.01000
   55    47    45    80.00000  110.05700
   55    57    58    80.00000  122.90000
   55    57    59    70.00000  116.60000
   57    55    56    35.00000  119.80000
   57    59    60    35.00000  109.50000
   57    59    61    70.00000  102.60000
   57    59    62    75.00000  111.54000
   59    57    58    80.00000  120.40000
   59    61    65    60.00000  125.54000
   59    61    73    60.00000  125.54000
   59    62    63    50.00000  111.55300
   59    62    64    50.00000  111.55300
   61    59    60    45.00000  110.88000
   61    65    66    35.00000  120.00000
   61    65    67    63.00000  120.00000
   61    73    71    63.00000  120.00000
   61    73    74    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   73    61    65    63.00000  120.00000
   73    71    72    35.00000  120.00000
   62    59    60    50.00000  109.55000
   62    59    61    75.00000  112.33000
   64    62    63    43.60000  106.40000
   40    38    39    75.00000  120.83300
   42    40    41    65.00000  121.00000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    52    49   0.44750  1.0 1.0
   29    33    52    49  -0.17800 -1.0 2.0
   29    33    52    49   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   33    38    39    43   0.00000  1.0 1.0
   33    38    39    45   0.00000  1.0 1.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    52    49   0.35600  1.0 1.0
   34    33    52    49  -0.14650 -1.0 2.0
   34    33    52    49   0.33350  1.0 3.0
   34    33    52    53   0.27000  1.0 3.0
   34    33    52    54   0.27000  1.0 3.0
   38    33    52    49   0.34400  1.0 1.0
   38    33    52    49   0.09450 -1.0 2.0
   38    33    52    49   0.11100  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    54   0.15000  1.0 3.0
   38    39    43    44   3.00000 -1.0 2.0
   38    39    43    47   3.00000 -1.0 2.0
   38    39   -45    47   0.00000  1.0 1.0
   38    39    45    46   0.00000  1.0 1.0
   38    39   -45    49   0.00000  1.0 1.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   39    43    47    48   0.00000  1.0 1.0
   39    43   -47    45   3.00000 -1.0 2.0
   39    43    47    55   0.00000  1.0 1.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    51   0.15000  1.0 3.0
   39    45    49    52   0.43900  1.0 1.0
   39    45    49    52   0.49100 -1.0 2.0
   39    45    49    52   0.28400  1.0 3.0
   43    39   -45    47   0.00000  1.0 1.0
   43    39    45    46   0.00000  1.0 1.0
   43    39    45    49   0.00000  1.0 1.0
   43    47   -45    39   3.00000 -1.0 2.0
   43    47   -45    46   0.15000  1.0 3.0
   43    47   -45    49  -0.95700  1.0 1.0
   43    47   -45    49  -0.18200 -1.0 2.0
   43    47   -45    49   0.29450  1.0 3.0
   43    47    55    56   0.00000  1.0 1.0
   43    47    55    57  -0.42300  1.0 1.0
   43    47    55    57  -0.07000 -1.0 2.0
   43    47    55    57   0.04150  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    45  -0.11250  1.0 1.0
   44    43    47    45   0.11400 -1.0 2.0
   44    43    47    45  -0.28950  1.0 3.0
   44    43    47    55   0.30150 -1.0 2.0
   47    45    49    50   0.00000  1.0 1.0
   47    45    49    51   0.00000  1.0 1.0
   47    45    49    52   0.04050  1.0 1.0
   47    45    49    52   0.63700 -1.0 2.0
   47    45    49    52   0.17650  1.0 3.0
   47    55    57    58   3.04450 -1.0 2.0
   47    55    57    59   1.15000  1.0 1.0
   47    55    57    59   3.04450 -1.0 2.0
   48    47   -45    39   0.15000  1.0 3.0
   48    47    45    46   0.15000  1.0 3.0
   48    47    45    49   0.15000  1.0 3.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    55    57   0.00000  1.0 1.0
   45    39   -43    44   3.00000 -1.0 2.0
   45    39   -43    47   3.00000 -1.0 2.0
   45    47    55    56   0.00000  1.0 1.0
   45    47    55    57  -0.43950  1.0 1.0
   45    47    55    57  -0.08100 -1.0 2.0
   45    47    55    57   0.03350  1.0 3.0
   45    49   -52    33   0.31550 -1.0 2.0
   45    49   -52    33   0.11250  1.0 3.0
   45    49    52    53   0.15000  1.0 3.0
   45    49    52    54   0.15000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   50    49    52    33   0.15000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   51    49    52    33   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   52    33   -38    39  -0.93550  1.0 1.0
   52    33   -38    39   0.38900 -1.0 2.0
   52    33   -38    39   0.16950  1.0 3.0
   52    33    38    40   0.09850  1.0 1.0
   52    33    38    40   0.15250 -1.0 2.0
   52    33    38    40  -0.50650  1.0 3.0
   55    47   -45    39   2.20050  1.0 1.0
   55    47   -45    39   0.63450 -1.0 2.0
   55    47   -45    39  -0.91300  1.0 3.0
   55    47    45    46   0.15000  1.0 3.0
   55    47    45    49   0.43900  1.0 1.0
   55    47    45    49   0.49100 -1.0 2.0
   55    47    45    49   0.28400  1.0 3.0
   55    57    59    60   0.00000  1.0 1.0
   55    57    59    61   0.00000  1.0 1.0
   55    57    59    62   0.00000  1.0 1.0
   56    55    57    58   2.45000 -1.0 2.0
   56    55    57    59   2.45000 -1.0 2.0
   57    59    61    65   0.04300 -1.0 2.0
   57    59    61    73   0.04300 -1.0 2.0
   57    59    62    63   0.21900  1.0 1.0
   57    59    62    63  -0.24900 -1.0 2.0
   57    59    62    63   0.15200  1.0 3.0
   57    59    62    64   0.21900  1.0 1.0
   57    59    62    64  -0.24900 -1.0 2.0
   57    59    62    64   0.15200  1.0 3.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   0.30150 -1.0 2.0
   58    57    59    62   0.30150 -1.0 2.0
   59    61    65    66   3.62500 -1.0 2.0
   59    61    65    67   3.62500 -1.0 2.0
   59    61    73    71   3.62500 -1.0 2.0
   59    61    73    74   3.62500 -1.0 2.0
   60    59    61    65   0.00000  1.0 1.0
   60    59    61    73   0.00000  1.0 1.0
   60    59    62    63   0.20000  1.0 3.0
   60    59    62    64   0.20000  1.0 3.0
   61    59    62    63   0.76500  1.0 1.0
   61    59    62    63   0.05700 -1.0 2.0
   61    59    62    63  -0.90900  1.0 3.0
   61    59    62    64   0.76500  1.0 1.0
   61    59    62    64   0.05700 -1.0 2.0
   61    59    62    64  -0.90900  1.0 3.0
   61    65    67    68   3.62500 -1.0 2.0
   61    65    67    69   3.62500 -1.0 2.0
   65    61    73    71   3.62500 -1.0 2.0
   65    61    73    74   3.62500 -1.0 2.0
   65    67    69    70   3.62500 -1.0 2.0
   65    67   -69    71   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71   -73    61   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   72    71    73    61   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   73    61    65    66   3.62500 -1.0 2.0
   73    61   -65    67   3.62500 -1.0 2.0
   62    59    61    65   0.18550 -1.0 2.0
   62    59    61    65   0.14000  1.0 3.0
   62    59    61    73   0.18550 -1.0 2.0
   62    59    61    73   0.14000  1.0 3.0
   40    38    39    43   0.00000  1.0 1.0
   40    38    39    45   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   45    43    39    38   1.00000 -1.0 2.0
   39    47    43    44  10.50000 -1.0 2.0
   56    57    55    47   1.00000 -1.0 2.0
   55    59    57    58  10.50000 -1.0 2.0
   65    73    61    59   4.00000 -1.0 2.0
   67    66    65    61   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    74    73    61   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
END
