* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    131    197     391
    1     0 S   NP   _N1_     1    29.06827    95.72465   -26.35586
    2     1 S   H    _HN1     2     1.02952    74.81735     7.77539
    3     1 S   H    _H1_     3     1.02829    32.40312  -166.56408
    4     1 S   H    _H2_     4     1.02785   122.06694   -94.65745
    5     1 S   CT   _CA1     5     1.50116   120.54261   112.79886
    6     5 S   HC   _HA1     6     1.09574   105.19124    93.63340
    7     5 S   CO3  _C1_     7     1.53787   112.47092   -26.58821
    8     7 S   O2Z  _O11     8     1.26371   115.00360   -42.15187
    9     7 S   O2Z  _O12     9     1.26240   114.94786   136.97855
   10     5 S   CT   _CB1    10     1.53083   107.42328  -148.38475
   11    10 S   HC   HB11    11     1.09833   109.35996   -49.71408
   12    10 S   HC   HB12    12     1.09813   110.45132    66.89174
   13    10 S   CT   _CG1    13     1.52992   112.61277  -170.69813
   14    13 S   HC   HG11    14     1.09582   110.62180   -65.87007
   15    13 S   HC   HG12    15     1.09671   109.79220    53.36284
   16    13 S   C    _CD1    16     1.51797   112.23554   173.80397
   17    16 S   O    _OE1    17     1.22737   123.29315     6.89256
   18    16 S   N    _N2_    18     1.38649   111.67500  -173.23874
   19    18 S   H    _HN2    19     1.01585   118.98526     1.26702
   20    18 S   CT1  _CA2    20     1.46099   123.35885   177.44979
   21    20 S   HC   _HA2    21     1.09591   109.30955     0.88779
   22    20 S   C    _C2_    22     1.53542   108.79019  -114.18017
   23    22 S   O    _O2_    23     1.23057   122.23698  -149.31719
   24    20 S   CT   _CB2    32     1.53265   111.67323   123.30879
   25    24 S   HC   HB21    33     1.09649   109.73174    60.82719
   26    24 S   HC   HB22    34     1.09566   110.98824   178.31507
   27    22 S   N    _N3_    24     1.38319   113.70680    38.25046
   28    27 S   H    _HN3    25     1.01592   119.56183    -3.56722
   29    24 S   S    _SG2    35     1.82849   114.35968   -59.08232
   30    27 S   CT   _CA3    26     1.45284   123.23088   177.02106
   31    30 S   HC   HA31    27     1.09549   107.54334   -63.83370
   32    30 S   HC   HA32    28     1.09556   107.95209    52.60657
   33    29 S   CT   _C13    36     1.82782    99.76986   -66.32415
   34    33 S   HC   _H3_    37     1.09411   108.03239    69.37050
   35    33 S   HC   _H4_    38     1.09537   108.80268   -48.17018
   36    30 S   CO3  _C3_    29     1.52961   114.05847   174.58300
   37    36 S   O2Z  _O31    30     1.26377   116.05451    -0.37898
   38    36 S   O2Z  _O32    31     1.26424   114.41831   179.67135
   39    33 S   CT   _C14    39     1.53714   111.32416  -170.39817
   40    39 S   HC   _H34    40     1.09781   108.78099   -52.22584
   41    39 S   CO4  _C4_    41     1.52053   110.12821    67.82864
   42    41 S   O    _O33    42     1.22424   124.30896    53.66125
   43    39 S   CT   _C11    66     1.54145   110.26528  -171.58917
   44    43 S   HC   _H28    67     1.09692   110.20349   -63.21013
   45    43 S   HC   _H29    68     1.09747   108.37977    53.95264
   46    41 S   OS1  _O19    43     1.36298   109.72428  -127.36632
   47    43 S   CT   _C12    69     1.52712   113.69434   174.32052
   48    47 S   HC   _H30    70     1.09430   111.50943    60.74046
   49    47 S   HC   _H31    71     1.09472   109.82128  -179.15721
   50    46 S   CO1  _C9_    44     1.44231   116.28346   179.37882
   51    50 S   HC   _H25    45     1.09859   108.67984    45.62430
   52    47 S   OH   _O18    72     1.41963   109.91732   -60.10624
   53    52 S   HO   _H39    73     0.97244   107.13999   179.08272
   54    50 S   CT   _C7_    46     1.53235   107.23849   164.71282
   55    54 S   HC   _H23    47     1.09680   109.98921    51.96543
   56    54 S   CT   _C5_    48     1.53075   111.18323   173.92178
   57    56 S   HC   _H21    49     1.09666   110.27127    73.75034
   58    54 S   OH5  _O16    64     1.42951   109.82749   -64.66931
   59    58 S   HO   _H37    65     0.97236   108.23015   -63.51123
   60    56 S   CT   _C6_    50     1.53196   111.32433   -48.89842
   61    60 S   HC   _H22    51     1.09704   109.06465   -71.31272
   62    56 S   OH5  _O14    62     1.42933   109.60439  -170.37624
   63    62 S   HO   _H35    63     0.97243   108.14993    61.18181
   64    60 S   CT   _C8_    52     1.53279   110.67643    49.93410
   65    64 S   HC   _H24    53     1.09833   110.93133    64.06164
   66    60 S   OH5  _O15    60     1.42601   109.65341   171.85553
   67    66 S   HO   _H36    61     0.97255   108.21045   -58.28058
   68    50 S   OS1  _O13    54     1.42780   110.20721   -75.37200
   69    64 S   CT   _C10    55     1.52997   111.50078  -175.12774
   70    69 S   HC   _H26    56     1.09503   110.99339    69.75888
   71    69 S   HC   _H27    57     1.09395   111.57621   -52.65023
   72    69 S   OH5  _O17    58     1.42490   109.05917  -171.57401
   73    72 S   HO   _H38    59     0.97237   107.04165  -177.86678
  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   7   5   4   3
  11   5   4   2   1   1  12   7  10   3   8   5   4   8   4   3
   2  13   6   1   1  12   7  13   7   4   1  12   7   3   1   9
   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    43    44    45    47  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    46    50    43    44    45    47    48    49    52  
   41    42    46    43    44    45    47  
   42    46    50    51    54    68    43    44    45    47  
   46    50    43  
   44    45    47    48    49    52    53    46  
   45    47    48    49    52  
   47    48    49    52  
   50    51    54    55    56    64    68    58  
   48    49    52    53  
   49    52    53  
   52    53  
   51    54    55    56    57    60    64    65    68    69    62    58    59  
   54    55    56    64    68    58  
   53  
    0  
   55    56    57    60    61    64    68    66    62    63    58    59  
   56    57    60    68    62    58    59  
   57    60    61    64    65    68    69    66    67    62    63    58    59  
   60    61    64    66    62    63    58  
   59    60    62    68  
    0  
   61    64    65    68    69    70    71    72    66    67    62    63  
   64    65    68    69    66    67    62  
   63    64    66  
    0  
   65    68    69    70    71    72    73    66    67  
   68    69    70    71    72    66  
   67    68    69  
    0  
   69    70    71    72  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.280000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    46   214.000  1.327
   46    50   370.000  1.399
   50    51   360.000  1.097
   50    54   255.000  1.525
   50    68   370.000  1.399
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   355.000  1.421
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    62   355.000  1.421
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    66   355.000  1.421
   64    65   340.000  1.090
   64    68   335.000  1.422
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   355.000  1.421
   72    73   580.000  0.967
   66    67   580.000  0.967
   62    63   580.000  0.967
   58    59   580.000  0.967
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   320.000  1.410
   52    53   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    46    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    47    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    46    50    83.00000  116.90000
   46    41    42    83.00000  123.40000
   46    50    51    60.00000  105.75400
   46    50    54    90.00000  109.70700
   46    50    68   110.00000  113.16000
   50    54    55    45.00000  109.54000
   50    54    56    70.00000  111.10000
   50    54    58    90.00000  109.42000
   50    68    64    90.00000  112.10700
   54    50    51    45.00000  111.65000
   54    56    57    37.50000  110.70000
   54    56    60    58.35000  112.70000
   54    56    62    90.00000  111.45300
   54    58    59    65.00000  108.53500
   56    54    55    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    58.35000  112.70000
   56    60    66    90.00000  111.45300
   56    62    63    65.00000  108.53500
   60    56    57    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    68    95.00000  107.88500
   60    64    69    58.35000  112.70000
   60    66    67    65.00000  108.53500
   64    60    61    37.50000  110.70000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    90.00000  111.45300
   68    50    51    60.00000  105.75400
   68    50    54    90.00000  109.70700
   68    64    65    55.00000  108.98800
   69    64    65    37.50000  110.70000
   69    64    68    95.00000  107.88500
   69    72    73    65.00000  108.53500
   71    69    70    33.00000  107.80000
   72    69    70    60.00000  109.39000
   72    69    71    60.00000  109.39000
   66    60    61    60.00000  109.39000
   66    60    64    90.00000  111.45300
   62    56    57    60.00000  109.39000
   62    56    60    90.00000  111.45300
   58    54    55    60.00000  109.39000
   58    54    56    90.00000  111.45300
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    52    50.00000  109.50000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    52    53    55.00000  108.50000
   49    47    48    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    46   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    47   0.56750  1.0 1.0
   33    39    43    47  -0.07550 -1.0 2.0
   33    39    43    47   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    46    50   1.63150  1.0 1.0
   39    41    46    50   2.92000 -1.0 2.0
   39    43    47    48   0.15000  1.0 3.0
   39    43    47    49   0.15000  1.0 3.0
   39    43    47    52   0.86500  1.0 1.0
   39    43    47    52  -0.17500 -1.0 2.0
   39    43    47    52   0.20800  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    46   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    47   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    47  -0.95700  1.0 1.0
   41    39    43    47  -0.18200 -1.0 2.0
   41    39    43    47   0.29450  1.0 3.0
   41    46    50    51   0.08050  1.0 3.0
   41    46    50    54  -0.25900  1.0 1.0
   41    46    50    54  -0.47000 -1.0 2.0
   41    46    50    54   0.11750  1.0 3.0
   41    46    50    68  -0.24150  1.0 1.0
   41    46    50    68  -0.46200 -1.0 2.0
   41    46    50    68   0.11700  1.0 3.0
   42    41    46    50   3.00000 -1.0 2.0
   46    50    54    55   0.23400  1.0 3.0
   46    50    54    56   0.62750  1.0 1.0
   46    50    54    56  -0.30950 -1.0 2.0
   46    50    54    56   0.27300  1.0 3.0
   46    50    54    58   1.51850  1.0 1.0
   46    50    68    64  -0.70400  1.0 1.0
   46    50    68    64  -0.90350 -1.0 2.0
   50    54    56    57   0.15000  1.0 3.0
   50    54    56    60   0.56750  1.0 1.0
   50    54    56    60  -0.07550 -1.0 2.0
   50    54    56    60   0.20000  1.0 3.0
   50    54    56    62  -0.47750  1.0 1.0
   50    54    58    59   0.29150  1.0 1.0
   50    54    58    59  -0.28350 -1.0 2.0
   50    54    58    59   0.43600  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    58   0.23400  1.0 3.0
   51    50    68    64   0.37050  1.0 3.0
   54    50    68    64   0.06250  1.0 1.0
   54    50    68    64  -0.01100 -1.0 2.0
   54    50    68    64   0.28050  1.0 3.0
   54    56    60    61   0.15000  1.0 3.0
   54    56   -60    64   0.56750  1.0 1.0
   54    56   -60    64  -0.07550 -1.0 2.0
   54    56   -60    64   0.20000  1.0 3.0
   54    56    60    66  -0.47750  1.0 1.0
   54    56    62    63   0.29150  1.0 1.0
   54    56    62    63  -0.28350 -1.0 2.0
   54    56    62    63   0.43600  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    56    62   0.23400  1.0 3.0
   55    54    58    59   0.19450  1.0 3.0
   56    54    58    59   0.29150  1.0 1.0
   56    54    58    59  -0.28350 -1.0 2.0
   56    54    58    59   0.43600  1.0 3.0
   56    60    64    65   0.15000  1.0 3.0
   56    60    64    68   0.62750  1.0 1.0
   56    60    64    68  -0.30950 -1.0 2.0
   56    60    64    68   0.27300  1.0 3.0
   56    60    64    69   0.56750  1.0 1.0
   56    60    64    69  -0.07550 -1.0 2.0
   56    60    64    69   0.20000  1.0 3.0
   56    60    66    67   0.29150  1.0 1.0
   56    60    66    67  -0.28350 -1.0 2.0
   56    60    66    67   0.43600  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    64   0.15000  1.0 3.0
   57    56    60    66   0.23400  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   60    56    62    63   0.29150  1.0 1.0
   60    56    62    63  -0.28350 -1.0 2.0
   60    56    62    63   0.43600  1.0 3.0
   60    64   -68    50   0.06250  1.0 1.0
   60    64   -68    50  -0.01100 -1.0 2.0
   60    64   -68    50   0.28050  1.0 3.0
   60    64    69    70   0.15000  1.0 3.0
   60    64    69    71   0.15000  1.0 3.0
   60    64    69    72  -0.47750  1.0 1.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    68   0.23400  1.0 3.0
   61    60    64    69   0.15000  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   64    60    66    67   0.29150  1.0 1.0
   64    60    66    67  -0.28350 -1.0 2.0
   64    60    66    67   0.43600  1.0 3.0
   64    69    72    73   0.29150  1.0 1.0
   64    69    72    73  -0.28350 -1.0 2.0
   64    69    72    73   0.43600  1.0 3.0
   65    64    68    50   0.37050  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.23400  1.0 3.0
   68    50    54    55   0.23400  1.0 3.0
   68    50   -54    56   0.62750  1.0 1.0
   68    50   -54    56  -0.30950 -1.0 2.0
   68    50   -54    56   0.27300  1.0 3.0
   68    50    54    58   1.51850  1.0 1.0
   68    64    69    70   0.23400  1.0 3.0
   68    64    69    71   0.23400  1.0 3.0
   68    64    69    72   1.51850  1.0 1.0
   69    64    68    50   0.06250  1.0 1.0
   69    64    68    50  -0.01100 -1.0 2.0
   69    64    68    50   0.28050  1.0 3.0
   70    69    72    73   0.19450  1.0 3.0
   71    69    72    73   0.19450  1.0 3.0
   66    60    64    65   0.23400  1.0 3.0
   66    60    64    68   1.51850  1.0 1.0
   66    60    64    69  -0.47750  1.0 1.0
   62    56    60    61   0.23400  1.0 3.0
   62    56    60    64  -0.47750  1.0 1.0
   62    56    60    66   3.77950  1.0 1.0
   58    54    56    57   0.23400  1.0 3.0
   58    54    56    60  -0.47750  1.0 1.0
   58    54    56    62   3.77950  1.0 1.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    46   0.36750  1.0 3.0
   43    47    52    53  -0.11600  1.0 1.0
   43    47    52    53  -0.09450 -1.0 2.0
   43    47    52    53   0.21250  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    52   0.23400  1.0 3.0
   48    47    52    53   0.19450  1.0 3.0
   49    47    52    53   0.19450  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
   38    30    36    37  10.50000 -1.0 2.0
   39    46    41    42  10.50000 -1.0 2.0
END
