* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    135    209     395
    1     0 S   NP   _N1_     1    28.69091    96.01075   -23.24148
    2     1 S   H    _HN1     2     1.02950    73.97707    18.24878
    3     1 S   H    _H1_     3     1.02828    37.08758   170.66834
    4     1 S   H    _H2_     4     1.02786   103.42913   -87.32685
    5     1 S   CT   _CA1     5     1.50110   139.59271   121.08116
    6     5 S   HC   _HA1     6     1.09572   105.20001    88.63978
    7     5 S   CO3  _C1_     7     1.53795   112.48772   -31.60754
    8     7 S   O2Z  _O11     8     1.26372   115.00874   -41.98194
    9     7 S   O2Z  _O12     9     1.26242   114.95129   137.19535
   10     5 S   CT   _CB1    10     1.53085   107.42488  -153.35514
   11    10 S   HC   HB11    11     1.09832   109.38909   -49.62179
   12    10 S   HC   HB12    12     1.09814   110.43578    66.99417
   13    10 S   CT   _CG1    13     1.52985   112.59784  -170.60112
   14    13 S   HC   HG11    14     1.09582   110.62275   -65.43809
   15    13 S   HC   HG12    15     1.09671   109.79291    53.79082
   16    13 S   C    _CD1    16     1.51796   112.25900   174.26041
   17    16 S   O    _OE1    17     1.22726   123.30196     6.48404
   18    16 S   N    _N2_    18     1.38654   111.64405  -173.62059
   19    18 S   H    _HN2    19     1.01581   118.92881     1.91785
   20    18 S   CT1  _CA2    20     1.46213   123.41366   177.68218
   21    20 S   HC   _HA2    21     1.09740   109.37583     2.81202
   22    20 S   C    _C2_    22     1.53571   108.63674  -112.65593
   23    22 S   O    _O2_    23     1.23056   122.28292  -148.26972
   24    20 S   CT   _CB2    32     1.53510   111.52661   124.84417
   25    24 S   HC   HB21    33     1.09383   109.46640    56.16619
   26    24 S   HC   HB22    34     1.09378   109.58866   175.13240
   27    22 S   N    _N3_    24     1.38326   113.72498    39.20311
   28    27 S   H    _HN3    25     1.01581   119.60443    -3.32231
   29    24 S   S    _SG2    35     1.83024   111.02510   -65.17105
   30    27 S   CT   _CA3    26     1.45287   123.20506   177.13358
   31    30 S   HC   HA31    27     1.09550   107.51138   -64.58644
   32    30 S   HC   HA32    28     1.09557   107.98501    51.85242
   33    29 S   CT   _C15    36     1.86067   102.28294   175.89831
   34    30 S   CO3  _C3_    29     1.52957   114.08057   173.85034
   35    34 S   O2Z  _O31    30     1.26375   116.07252    -0.62055
   36    34 S   O2Z  _O32    31     1.26428   114.41315   179.43698
   37    33 S   CO4  _C10    37     1.52831   107.76742    58.88899
   38    37 S   O    _O17    38     1.22995   122.08628   -93.35294
   39    33 S   CT   _C14    50     1.53190   108.24393   178.39002
   40    39 S   HC   _H29    51     1.09731   110.99171    51.93732
   41    37 S   CA   _C7_    39     1.48671   118.89907    84.84708
   42    39 S   OS   _O19    52     1.42894   112.37220   174.19822
   43    41 S   CA   _C5_    40     1.40033   117.94387  -171.17924
   44    43 S   HA   _H23    41     1.08730   121.32429    -0.35553
   45    42 S   CT   _C16    53     1.43280   115.37528   -59.58909
   46    43 S   CA   _C4_    42     1.39070   120.17341   179.24723
   47    46 S   HA   _H22    43     1.08666   119.92930  -179.87646
   48    45 S   CT   _C13    54     1.53566   110.03804    56.01086
   49    48 S   HC   _H27    55     1.09675   110.69505  -174.17954
   50    48 S   HC   _H28    56     1.09788   109.25165    68.91990
   51    45 S   CT   _C17    60     1.53497   105.85392   173.94035
   52    51 S   HC   _H30    61     1.09627   110.83229    60.13830
   53    51 S   HC   _H31    62     1.09629   110.89260   -57.59175
   54    51 S   HC   _H32    63     1.09500   111.74179  -178.72528
   55    45 S   CT   _C18    64     1.53562   111.00049   -68.78899
   56    55 S   HC   _H33    65     1.09601   110.60333   -51.75760
   57    55 S   HC   _H34    66     1.09536   111.28044  -172.39785
   58    55 S   HC   _H35    67     1.09387   112.43647    67.02370
   59    46 S   CA   _C6_    44     1.39366   120.15999     0.19881
   60    59 S   HA   _H24    45     1.08577   117.38003   179.65508
   61    33 S   CT   _C12    57     1.54160   110.20150   -62.60974
   62    61 S   HC   _H25    58     1.09589   111.91030    70.04825
   63    61 S   HC   _H26    59     1.09754   110.28115   -48.25831
   64    59 S   CA   _C9_    46     1.40104   120.62921     0.00000
   65    41 S   CA   _C8_    47     1.40240   122.08867     8.24357
   66    64 S   OS   _O20    68     1.37109   123.37749   178.67899
   67    65 S   CO4  _C11    48     1.48883   118.84259     0.94647
   68    67 S   O    _O18    49     1.22757   121.79355  -163.88586
   69    66 S   CT   _C19    69     1.42198   118.05118     2.43422
   70    69 S   HC   _H36    70     1.09430   107.71746   178.73855
   71    69 S   HC   _H37    71     1.09494   111.19282    61.03754
   72    69 S   HC   _H38    72     1.09487   111.10914   -63.61558
  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  12   5   4   3
  17   2   1   1  15   5  14   6  11  16   8   4  15   6   3  13
   6   5   8   3   2   1   4   2   1   1   6   3   3   1   1   8
   4   5   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    61    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    67    39    40    42    48    61    62    63  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    43    65    67    68    39    40    42    45    48    49    50    61    62    63  
   35    36  
   36  
    0  
   38    41    43    44    46    64    65    67    39    40    42    48    61    62    63  
   41    43    65    39    61  
   40    42    45    48    61    62    63    51    55    41    64    65    67    68  
   42    45    61    65    67    68  
   43    44    46    47    59    64    65    67    68    61    66  
   45    48    49    50    61    51    52    53    54    55    56    57    58    65    67    68  
   44    46    47    59    60    64    65    67  
   46    47    59    65  
   48    49    50    61    62    63    51    52    53    54    55    56    57    58    67  
   47    59    60    64    65    66  
   59    60    64  
   49    50    61    62    63    51    52    53    54    55    56    57    58  
   50    61    62    63    51    55  
   61    62    63    51    55  
   52    53    54    55    56    57    58    61  
   53    54    55  
   54    55  
   55  
   56    57    58    61  
   57    58  
   58  
    0  
   60    64    65    67    66    69  
   64    65    66  
   62    63    67  
   63  
    0  
   65    67    68    66    69    70    71    72  
   67    68    66    69  
   69    70    71    72    67  
   68  
    0  
   70    71    72  
   71    72  
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.522
   33    39   268.000  1.529
   33    61   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    43   469.000  1.400
   41    65   469.000  1.400
   43    44   367.000  1.080
   43    46   469.000  1.400
   46    47   367.000  1.080
   46    59   469.000  1.400
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   469.000  1.400
   64    66   450.000  1.364
   65    67   310.000  1.470
   67    68   570.000  1.229
   67    39   317.000  1.522
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    45   320.000  1.410
   45    48   268.000  1.529
   45    51   268.000  1.529
   45    55   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   66    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    39    75.00000  111.63000
   29    33    61    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    39    67    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   33    61    48    58.35000  112.70000
   33    61    62    37.50000  110.70000
   33    61    63    37.50000  110.70000
   37    41    43    60.00000  119.52600
   37    41    65    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    43    44    35.00000  120.00000
   41    43    46    63.00000  120.00000
   41    65    64    63.00000  120.00000
   41    65    67    60.00000  119.52600
   43    46    47    35.00000  120.00000
   43    46    59    63.00000  120.00000
   46    43    44    35.00000  120.00000
   46    59    60    35.00000  120.00000
   46    59    64    63.00000  120.00000
   59    46    47    35.00000  120.00000
   59    64    65    63.00000  120.00000
   59    64    66    70.00000  120.00000
   64    59    60    35.00000  120.00000
   64    65    67    60.00000  119.52600
   64    66    69    75.00000  111.00000
   65    41    43    63.00000  120.00000
   65    67    68    75.00000  123.78400
   65    67    39    65.00000  115.47100
   67    39    40    35.00000  109.50000
   67    39    42    90.00000  108.74100
   39    33    37    63.00000  111.10000
   39    67    68    80.00000  120.40000
   39    42    45    60.00000  109.50000
   42    39    40    35.00000  109.50000
   42    45    48    50.00000  109.50000
   42    45    51    50.00000  109.50000
   42    45    55    50.00000  109.50000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    61    58.35000  112.70000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    37.50000  110.70000
   45    55    56    37.50000  110.70000
   45    55    57    37.50000  110.70000
   45    55    58    37.50000  110.70000
   48    61    62    37.50000  110.70000
   48    61    63    37.50000  110.70000
   50    48    49    33.00000  107.80000
   61    33    37    63.00000  111.10000
   61    33    39    58.35000  112.70000
   61    48    49    37.50000  110.70000
   61    48    50    37.50000  110.70000
   63    61    62    33.00000  107.80000
   51    45    48    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    45    48    58.35000  112.70000
   55    45    51    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   66    64    65    70.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    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
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    39    67   0.56750  1.0 1.0
   29    33    39    67  -0.07550 -1.0 2.0
   29    33    39    67   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   29    33    61    48   0.44750  1.0 1.0
   29    33    61    48  -0.17800 -1.0 2.0
   29    33    61    48   0.20200  1.0 3.0
   29    33    61    62   0.15000  1.0 3.0
   29    33    61    63   0.15000  1.0 3.0
   33    37    41    43   2.26350  1.0 1.0
   33    37    41    43   0.76750 -1.0 2.0
   33    37    41    43   0.22500  1.0 3.0
   33    37    41    65   2.26350  1.0 1.0
   33    37    41    65   0.76750 -1.0 2.0
   33    37    41    65   0.22500  1.0 3.0
   33    39    42    45   0.06250  1.0 1.0
   33    39    42    45  -0.01100 -1.0 2.0
   33    39    42    45   0.28050  1.0 3.0
   37    33    39    67   0.11950  1.0 1.0
   37    33    39    67   0.20300 -1.0 2.0
   37    33    39    67  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.09450  1.0 1.0
   37    33    39    42  -1.12950 -1.0 2.0
   37    33    39    42   0.54000  1.0 3.0
   37    33    61    48  -0.95700  1.0 1.0
   37    33    61    48  -0.18200 -1.0 2.0
   37    33    61    48   0.29450  1.0 3.0
   37    33    61    62  -0.11250  1.0 3.0
   37    33    61    63  -0.11250  1.0 3.0
   37    41    43    44   3.62500 -1.0 2.0
   37    41    43    46   3.62500 -1.0 2.0
   37    41    65    64   3.62500 -1.0 2.0
   37    41   -65    67   3.62500 -1.0 2.0
   38    37    41    43   1.05000 -1.0 2.0
   38    37    41    65   1.05000 -1.0 2.0
   41    43    46    47   3.62500 -1.0 2.0
   41    43    46    59   3.62500 -1.0 2.0
   41    65    67    68   1.05000 -1.0 2.0
   41    65    67    39   2.26350  1.0 1.0
   41    65    67    39   0.76750 -1.0 2.0
   41    65    67    39   0.22500  1.0 3.0
   43    41    65    64   3.62500 -1.0 2.0
   43    41    65    67   3.62500 -1.0 2.0
   43    46    59    60   3.62500 -1.0 2.0
   43    46   -59    64   3.62500 -1.0 2.0
   44    43    46    47   3.62500 -1.0 2.0
   44    43    46    59   3.62500 -1.0 2.0
   46    59    64    65   3.62500 -1.0 2.0
   46    59    64    66   3.62500 -1.0 2.0
   47    46    59    60   3.62500 -1.0 2.0
   47    46    59    64   3.62500 -1.0 2.0
   59    64   -65    41   3.62500 -1.0 2.0
   59    64    65    67   3.62500 -1.0 2.0
   59    64    66    69   1.63200 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    66   3.62500 -1.0 2.0
   64    65    67    68   1.05000 -1.0 2.0
   64    65    67    39   2.26350  1.0 1.0
   64    65    67    39   0.76750 -1.0 2.0
   64    65    67    39   0.22500  1.0 3.0
   64    66    69    70   0.08050  1.0 3.0
   64    66    69    71   0.08050  1.0 3.0
   64    66    69    72   0.08050  1.0 3.0
   65    41    43    44   3.62500 -1.0 2.0
   65    41   -43    46   3.62500 -1.0 2.0
   65    64    66    69   1.63200 -1.0 2.0
   65    67   -39    33   0.05850 -1.0 2.0
   65    67   -39    33   0.17250  1.0 3.0
   65    67    39    40   0.00000  1.0 1.0
   65    67    39    42   0.65300  1.0 1.0
   65    67    39    42  -0.03850 -1.0 2.0
   65    67    39    42   0.33900  1.0 3.0
   67    39    42    45  -1.11000  1.0 1.0
   67    39    42    45   0.50250 -1.0 2.0
   67    39    42    45   0.47450  1.0 3.0
   68    67    39    33   0.30150 -1.0 2.0
   68    67    39    40   0.00000  1.0 1.0
   68    67    39    42   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    41   0.05850 -1.0 2.0
   39    33   -37    41   0.17250  1.0 3.0
   39    33    61    48   0.56750  1.0 1.0
   39    33    61    48  -0.07550 -1.0 2.0
   39    33    61    48   0.20000  1.0 3.0
   39    33    61    62   0.15000  1.0 3.0
   39    33    61    63   0.15000  1.0 3.0
   39    42   -45    48   0.06250  1.0 1.0
   39    42   -45    48  -0.01100 -1.0 2.0
   39    42   -45    48   0.28050  1.0 3.0
   39    42    45    51   0.06250  1.0 1.0
   39    42    45    51  -0.01100 -1.0 2.0
   39    42    45    51   0.28050  1.0 3.0
   39    42    45    55   0.06250  1.0 1.0
   39    42    45    55  -0.01100 -1.0 2.0
   39    42    45    55   0.28050  1.0 3.0
   40    39    42    45   0.37050  1.0 3.0
   42    45    48    49   0.23400  1.0 3.0
   42    45    48    50   0.23400  1.0 3.0
   42    45    48    61   0.62750  1.0 1.0
   42    45    48    61  -0.30950 -1.0 2.0
   42    45    48    61   0.27300  1.0 3.0
   42    45    51    52   0.23400  1.0 3.0
   42    45    51    53   0.23400  1.0 3.0
   42    45    51    54   0.23400  1.0 3.0
   42    45    55    56   0.23400  1.0 3.0
   42    45    55    57   0.23400  1.0 3.0
   42    45    55    58   0.23400  1.0 3.0
   45    48   -61    33   0.56750  1.0 1.0
   45    48   -61    33  -0.07550 -1.0 2.0
   45    48   -61    33   0.20000  1.0 3.0
   45    48    61    62   0.15000  1.0 3.0
   45    48    61    63   0.15000  1.0 3.0
   48    45    51    52   0.15000  1.0 3.0
   48    45    51    53   0.15000  1.0 3.0
   48    45    51    54   0.15000  1.0 3.0
   48    45    55    56   0.15000  1.0 3.0
   48    45    55    57   0.15000  1.0 3.0
   48    45    55    58   0.15000  1.0 3.0
   49    48    61    33   0.15000  1.0 3.0
   49    48    61    62   0.15000  1.0 3.0
   49    48    61    63   0.15000  1.0 3.0
   50    48    61    33   0.15000  1.0 3.0
   50    48    61    62   0.15000  1.0 3.0
   50    48    61    63   0.15000  1.0 3.0
   61    33    37    38   0.30150 -1.0 2.0
   61    33    37    41   0.05850 -1.0 2.0
   61    33    37    41   0.17250  1.0 3.0
   61    33    39    67  -0.95700  1.0 1.0
   61    33    39    67  -0.18200 -1.0 2.0
   61    33    39    67   0.29450  1.0 3.0
   61    33    39    40   0.15000  1.0 3.0
   61    33   -39    42   0.62750  1.0 1.0
   61    33   -39    42  -0.30950 -1.0 2.0
   61    33   -39    42   0.27300  1.0 3.0
   51    45    48    49   0.15000  1.0 3.0
   51    45    48    50   0.15000  1.0 3.0
   51    45    48    61   0.56750  1.0 1.0
   51    45    48    61  -0.07550 -1.0 2.0
   51    45    48    61   0.20000  1.0 3.0
   51    45    55    56   0.15000  1.0 3.0
   51    45    55    57   0.15000  1.0 3.0
   51    45    55    58   0.15000  1.0 3.0
   55    45    48    49   0.15000  1.0 3.0
   55    45    48    50   0.15000  1.0 3.0
   55    45    48    61   0.56750  1.0 1.0
   55    45    48    61  -0.07550 -1.0 2.0
   55    45    48    61   0.20000  1.0 3.0
   55    45    51    52   0.15000  1.0 3.0
   55    45    51    53   0.15000  1.0 3.0
   55    45    51    54   0.15000  1.0 3.0
   66    64    65    41   3.62500 -1.0 2.0
   66    64    65    67   3.62500 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   43    65    41    37   4.00000 -1.0 2.0
   46    44    43    41   1.10000 -1.0 2.0
   59    47    46    43   1.10000 -1.0 2.0
   64    60    59    46   1.10000 -1.0 2.0
   65    66    64    59   4.00000 -1.0 2.0
   64    67    65    41   4.00000 -1.0 2.0
   65    39    67    68  10.50000 -1.0 2.0
END
