* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    147    237     443
    1     0 S   NP   _N1_     1    29.13486    92.86581   -22.77083
    2     1 S   H    _HN1     2     1.02779    95.33233   -98.08429
    3     1 S   H    _H1_     3     1.02959    97.37169    11.22137
    4     1 S   H    _H2_     4     1.02841    19.99708   131.77001
    5     1 S   CT   _CA1     5     1.50105   130.68210   136.33846
    6     5 S   HC   _HA1     6     1.09566   105.27851    57.50415
    7     5 S   CO3  _C1_     7     1.53806   112.32481   -62.86856
    8     7 S   O2Z  _O11     8     1.26365   114.99481   -44.59492
    9     7 S   O2Z  _O12     9     1.26228   114.92154   134.61656
   10     5 S   CT   _CB1    10     1.53076   107.45986   175.54966
   11    10 S   HC   HB11    11     1.09823   109.50453   -49.70506
   12    10 S   HC   HB12    12     1.09822   110.32154    66.85355
   13    10 S   CT   _CG1    13     1.53041   112.65227  -170.75707
   14    13 S   HC   HG11    14     1.09593   110.43621   -61.03046
   15    13 S   HC   HG12    15     1.09627   110.09277    58.30100
   16    13 S   C    _CD1    16     1.51726   112.12881   178.78147
   17    16 S   O    _OE1    17     1.22759   123.20453    -3.82203
   18    16 S   N    _N2_    18     1.38666   111.81720   175.81507
   19    18 S   H    _HN2    19     1.01586   119.25768     2.96306
   20    18 S   CT1  _CA2    20     1.46028   122.96967  -176.47041
   21    20 S   HC   _HA2    21     1.09564   109.08640    -6.57659
   22    20 S   C    _C2_    22     1.53418   109.37800  -121.78125
   23    22 S   O    _O2_    23     1.23047   121.93890  -149.83202
   24    20 S   CT   _CB2    32     1.53601   111.87099   115.32628
   25    24 S   HC   HB21    33     1.09674   109.29682    69.27552
   26    24 S   HC   HB22    34     1.09531   110.70264  -173.97767
   27    22 S   N    _N3_    24     1.38416   113.62351    37.75033
   28    27 S   H    _HN3    25     1.01506   118.94952    -0.87021
   29    24 S   S    _SG2    35     1.83141   115.20576   -49.70622
   30    27 S   CT   _CA3    26     1.45456   123.49714   174.67325
   31    30 S   HC   HA31    27     1.09519   109.28483    23.55170
   32    30 S   HC   HA32    28     1.09495   107.11669   140.60256
   33    29 S   CT   _C13    36     1.82799   101.25241   -67.68519
   34    33 S   HC   _H3_    37     1.09361   106.82822    37.49307
   35    30 S   CO3  _C3_    29     1.52937   113.06775   -99.92832
   36    35 S   O2Z  _O31    30     1.26407   115.40728   -43.59368
   37    35 S   O2Z  _O32    31     1.26352   114.97560   137.29359
   38    33 S   CT   _C6_    38     1.53263   109.50008   -79.81312
   39    38 S   HC   _H21    39     1.09546   110.84616   147.43828
   40    38 S   HC   _H22    40     1.09296   114.85096    23.19667
   41    38 S   CO4  _C4_    41     1.50779   103.20609   -97.39908
   42    41 S   O    _O16    42     1.22746   122.18402   166.98302
   43    41 S   CT   _C14    43     1.54010   113.63253   -14.05143
   44    43 S   CT   _C12    44     1.55628   107.50305  -128.56935
   45    44 S   HC   _H30    45     1.10010   108.82449    26.01709
   46    33 S   CT   _C15    56     1.56508   119.70360   161.44973
   47    43 S   CT   _C18    72     1.54009   104.74330   112.18615
   48    47 S   HC   _H38    73     1.09169   112.17749   165.66406
   49    47 S   HC   _H39    74     1.09753   111.43738    46.70661
   50    47 S   HC   _H40    75     1.09052   113.06962   -72.02194
   51    44 S   CT   _C10    46     1.53674   120.28687   150.29958
   52    51 S   HC   _H28    47     1.09768   109.62608   -91.56840
   53    46 S   OH   _O19    57     1.46202   102.21118  -165.64132
   54    53 S   HO   _H41    58     0.97363   108.03591    67.85890
   55    51 S   CT   _C7_    48     1.53733   116.08435    29.99919
   56    55 S   HC   _H23    49     1.09581   108.78830   161.96149
   57    55 S   HC   _H24    50     1.09262   111.86558    45.70118
   58    51 S   CT   _C9_    63     1.53767   100.93623   155.27006
   59    58 S   HC   _H27    64     1.09854   108.69598    80.03085
   60    55 S   CT   _C8_    51     1.53408   113.58923   -82.04976
   61    60 S   HC   _H25    52     1.09892   107.74012  -160.15453
   62    60 S   HC   _H26    53     1.09782   109.08504   -47.42680
   63    58 S   CO4  _C5_    65     1.50219   102.64938   -32.30051
   64    63 S   O    _O17    66     1.22071   126.39319  -159.48191
   65    58 S   CT   _C16    68     1.51841   117.56045  -156.14639
   66    65 S   HC   _H32    69     1.09524   112.03961    66.98435
   67    65 S   HC   _H33    70     1.09446   111.06459   -55.25294
   68    65 S   HC   _H34    71     1.09597   110.25506  -174.48989
   69    60 S   CT   _C11    54     1.54801   116.98720    77.55789
   70    69 S   HC   _H29    55     1.09969   104.35128  -170.51059
   71    44 S   OS   _O18    67     1.44541   109.56610   -88.42815
   72    69 S   CT   _C17    59     1.53301   108.00201    78.46502
   73    72 S   HC   _H35    60     1.08993   113.22257   -60.60304
   74    72 S   HC   _H36    61     1.08680   113.58223   174.77363
   75    72 S   HC   _H37    62     1.09736   109.51735    57.38975
  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  10   5   4   3
  16   8   2   1   1  10   5   4  13   4  19  20   8  18   7   2
   1   1  17   9   5   1  13   6   5   9   7   8   4   3   6   2
   4   2   1   1   5   4   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    69    46    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    60    69    70    46    53    54    72    47  
   38    39    40    41    43    69    46    53  
   36    37  
   37  
    0  
   39    40    41    42    43    44    69    46    53    47  
   40    41    42    43    46  
   41    42    43    46  
   42    43    44    45    51    69    46    53    71    47    48    49    50  
   43    44    46    47  
   44    45    51    52    55    60    69    70    46    53    54    72    58    63    71    47    48    49    50  
   45    51    52    55    56    57    60    69    46    53    58    59    63    64    71    65    47    48    49    50  
   51    52    55    46    58    63    71    47  
   53    54    72    73    74    75    71    47    48    49    50    51    55    60    61    62    69    70  
   48    49    50    51    53    69    71  
   49    50  
   50  
    0  
   52    55    56    57    60    61    62    69    58    59    63    64    71    65    66    67    68  
   55    56    57    60    58    59    63    71    65  
   54    72    60    69    70  
   69  
   56    57    60    61    62    69    70    72    58    59    63    71    65  
   57    60    61    62    69    58  
   60    61    62    69    58  
   59    63    64    71    65    66    67    68    60  
   63    64    71    65    66    67    68  
   61    62    69    70    72    73    74    75  
   62    69    70    72  
   69    70    72  
   64    71    65    66    67    68  
   71    65  
   66    67    68    71  
   67    68  
   68  
    0  
   70    72    73    74    75  
   72    73    74    75  
    0  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    47   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    71   320.000  1.410
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    69   268.000  1.529
   69    70   340.000  1.090
   69    46   268.000  1.529
   69    72   268.000  1.529
   46    53   320.000  1.410
   53    54   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   58    59   340.000  1.090
   58    63   317.000  1.522
   58    65   268.000  1.529
   63    64   570.000  1.229
   63    71   214.000  1.327
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    46    43    58.35000  112.70000
   33    46    69    58.35000  112.70000
   33    46    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    47    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    51    58.35000  112.70000
   43    44    71    50.00000  109.50000
   43    46    69    58.35000  112.70000
   43    46    53    50.00000  109.50000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    55    58.35000  112.70000
   44    51    58    58.35000  112.70000
   44    71    63    83.00000  116.90000
   51    44    45    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    60    58.35000  112.70000
   51    58    59    37.50000  110.70000
   51    58    63    63.00000  111.10000
   51    58    65    58.35000  112.70000
   55    51    52    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    69    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    69    70    37.50000  110.70000
   60    69    46    58.35000  112.70000
   60    69    72    58.35000  112.70000
   62    60    61    33.00000  107.80000
   69    60    61    37.50000  110.70000
   69    60    62    37.50000  110.70000
   69    46    53    50.00000  109.50000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    43    44    58.35000  112.70000
   46    69    70    37.50000  110.70000
   46    53    54    55.00000  108.50000
   72    69    70    37.50000  110.70000
   72    69    46    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    55    58.35000  112.70000
   58    63    64    80.00000  120.40000
   58    63    71    81.00000  111.40000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    68    37.50000  110.70000
   63    58    59    35.00000  109.50000
   71    44    45    35.00000  109.50000
   71    44    51    50.00000  109.50000
   71    63    64    83.00000  123.40000
   65    58    59    37.50000  110.70000
   65    58    63    63.00000  111.10000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    43    46    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    69   0.44750  1.0 1.0
   29    33    46    69  -0.17800 -1.0 2.0
   29    33    46    69   0.20200  1.0 3.0
   29    33    46    53   0.56750  1.0 1.0
   29    33    46    53  -0.07550 -1.0 2.0
   29    33    46    53   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    46    53    54  -0.11600  1.0 1.0
   33    46    53    54  -0.09450 -1.0 2.0
   33    46    53    54   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    46    43   0.15000  1.0 3.0
   34    33    46    69   0.15000  1.0 3.0
   34    33    46    53   0.23400  1.0 3.0
   38    33   -46    43   0.56750  1.0 1.0
   38    33   -46    43  -0.07550 -1.0 2.0
   38    33   -46    43   0.20000  1.0 3.0
   38    33    46    69   0.56750  1.0 1.0
   38    33    46    69  -0.07550 -1.0 2.0
   38    33    46    69   0.20000  1.0 3.0
   38    33    46    53   0.86500  1.0 1.0
   38    33    46    53  -0.17500 -1.0 2.0
   38    33    46    53   0.20800  1.0 3.0
   38    41    43    44   0.60050  1.0 1.0
   38    41    43    44   0.05600 -1.0 2.0
   38    41    43    44   0.26150  1.0 3.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   38    41    43    47   0.60050  1.0 1.0
   38    41    43    47   0.05600 -1.0 2.0
   38    41    43    47   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    51  -0.95700  1.0 1.0
   41    43    44    51  -0.18200 -1.0 2.0
   41    43    44    51   0.29450  1.0 3.0
   41    43    44    71  -0.09450  1.0 1.0
   41    43    44    71  -1.12950 -1.0 2.0
   41    43    44    71   0.54000  1.0 3.0
   41    43   -46    33  -0.95700  1.0 1.0
   41    43   -46    33  -0.18200 -1.0 2.0
   41    43   -46    33   0.29450  1.0 3.0
   41    43    46    69  -0.95700  1.0 1.0
   41    43    46    69  -0.18200 -1.0 2.0
   41    43    46    69   0.29450  1.0 3.0
   41    43    46    53  -0.09450  1.0 1.0
   41    43    46    53  -1.12950 -1.0 2.0
   41    43    46    53   0.54000  1.0 3.0
   41    43    47    48  -0.11250  1.0 3.0
   41    43    47    49  -0.11250  1.0 3.0
   41    43    47    50  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   43    44    51    52   0.15000  1.0 3.0
   43    44    51    55   0.56750  1.0 1.0
   43    44    51    55  -0.07550 -1.0 2.0
   43    44    51    55   0.20000  1.0 3.0
   43    44    51    58   0.56750  1.0 1.0
   43    44    51    58  -0.07550 -1.0 2.0
   43    44    51    58   0.20000  1.0 3.0
   43    44    71    63  -0.25900  1.0 1.0
   43    44    71    63  -0.47000 -1.0 2.0
   43    44    71    63   0.11750  1.0 3.0
   43    46    53    54  -0.11600  1.0 1.0
   43    46    53    54  -0.09450 -1.0 2.0
   43    46    53    54   0.21250  1.0 3.0
   44    43    46    33   0.56750  1.0 1.0
   44    43    46    33  -0.07550 -1.0 2.0
   44    43    46    33   0.20000  1.0 3.0
   44    43    46    69   0.56750  1.0 1.0
   44    43    46    69  -0.07550 -1.0 2.0
   44    43    46    69   0.20000  1.0 3.0
   44    43    46    53   0.86500  1.0 1.0
   44    43    46    53  -0.17500 -1.0 2.0
   44    43    46    53   0.20800  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    50   0.15000  1.0 3.0
   44    51    55    56   0.15000  1.0 3.0
   44    51    55    57   0.15000  1.0 3.0
   44    51    55    60   0.56750  1.0 1.0
   44    51    55    60  -0.07550 -1.0 2.0
   44    51    55    60   0.20000  1.0 3.0
   44    51    58    59   0.15000  1.0 3.0
   44    51   -58    63  -0.95700  1.0 1.0
   44    51   -58    63  -0.18200 -1.0 2.0
   44    51   -58    63   0.29450  1.0 3.0
   44    51    58    65   0.56750  1.0 1.0
   44    51    58    65  -0.07550 -1.0 2.0
   44    51    58    65   0.20000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    55   0.15000  1.0 3.0
   45    44    51    58   0.15000  1.0 3.0
   45    44    71    63   0.08050  1.0 3.0
   51    44   -71    63  -0.25900  1.0 1.0
   51    44   -71    63  -0.47000 -1.0 2.0
   51    44   -71    63   0.11750  1.0 3.0
   51    55    60    61   0.15000  1.0 3.0
   51    55    60    62   0.15000  1.0 3.0
   51    55    60    69   0.56750  1.0 1.0
   51    55    60    69  -0.07550 -1.0 2.0
   51    55    60    69   0.20000  1.0 3.0
   51    58    63    64   0.30150 -1.0 2.0
   51    58   -63    71   0.36750  1.0 3.0
   51    58    65    66   0.15000  1.0 3.0
   51    58    65    67   0.15000  1.0 3.0
   51    58    65    68   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    60   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    63  -0.11250  1.0 3.0
   52    51    58    65   0.15000  1.0 3.0
   55    51    58    59   0.15000  1.0 3.0
   55    51    58    63  -0.95700  1.0 1.0
   55    51    58    63  -0.18200 -1.0 2.0
   55    51    58    63   0.29450  1.0 3.0
   55    51    58    65   0.56750  1.0 1.0
   55    51    58    65  -0.07550 -1.0 2.0
   55    51    58    65   0.20000  1.0 3.0
   55    60    69    70   0.15000  1.0 3.0
   55    60    69    46   0.56750  1.0 1.0
   55    60    69    46  -0.07550 -1.0 2.0
   55    60    69    46   0.20000  1.0 3.0
   55    60    69    72   0.56750  1.0 1.0
   55    60    69    72  -0.07550 -1.0 2.0
   55    60    69    72   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    69   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    69   0.15000  1.0 3.0
   60    69    46    33   0.56750  1.0 1.0
   60    69    46    33  -0.07550 -1.0 2.0
   60    69    46    33   0.20000  1.0 3.0
   60    69    46    43   0.56750  1.0 1.0
   60    69    46    43  -0.07550 -1.0 2.0
   60    69    46    43   0.20000  1.0 3.0
   60    69    46    53   0.86500  1.0 1.0
   60    69    46    53  -0.17500 -1.0 2.0
   60    69    46    53   0.20800  1.0 3.0
   60    69    72    73   0.15000  1.0 3.0
   60    69    72    74   0.15000  1.0 3.0
   60    69    72    75   0.15000  1.0 3.0
   61    60    69    70   0.15000  1.0 3.0
   61    60    69    46   0.15000  1.0 3.0
   61    60    69    72   0.15000  1.0 3.0
   62    60    69    70   0.15000  1.0 3.0
   62    60    69    46   0.15000  1.0 3.0
   62    60    69    72   0.15000  1.0 3.0
   69    46    53    54  -0.11600  1.0 1.0
   69    46    53    54  -0.09450 -1.0 2.0
   69    46    53    54   0.21250  1.0 3.0
   70    69    46    33   0.15000  1.0 3.0
   70    69    46    43   0.15000  1.0 3.0
   70    69    46    53   0.23400  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33    38    40   0.15000  1.0 3.0
   46    33   -38    41  -0.95700  1.0 1.0
   46    33   -38    41  -0.18200 -1.0 2.0
   46    33   -38    41   0.29450  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    51   0.56750  1.0 1.0
   46    43    44    51  -0.07550 -1.0 2.0
   46    43    44    51   0.20000  1.0 3.0
   46    43    44    71   0.62750  1.0 1.0
   46    43    44    71  -0.30950 -1.0 2.0
   46    43    44    71   0.27300  1.0 3.0
   46    43    47    48   0.15000  1.0 3.0
   46    43    47    49   0.15000  1.0 3.0
   46    43    47    50   0.15000  1.0 3.0
   46    69    72    73   0.15000  1.0 3.0
   46    69    72    74   0.15000  1.0 3.0
   46    69    72    75   0.15000  1.0 3.0
   72    69    46    33   0.56750  1.0 1.0
   72    69    46    33  -0.07550 -1.0 2.0
   72    69    46    33   0.20000  1.0 3.0
   72    69    46    43   0.56750  1.0 1.0
   72    69    46    43  -0.07550 -1.0 2.0
   72    69    46    43   0.20000  1.0 3.0
   72    69    46    53   0.86500  1.0 1.0
   72    69    46    53  -0.17500 -1.0 2.0
   72    69    46    53   0.20800  1.0 3.0
   58    51    55    56   0.15000  1.0 3.0
   58    51    55    57   0.15000  1.0 3.0
   58    51    55    60   0.56750  1.0 1.0
   58    51    55    60  -0.07550 -1.0 2.0
   58    51    55    60   0.20000  1.0 3.0
   58    63   -71    44   1.63150  1.0 1.0
   58    63   -71    44   2.92000 -1.0 2.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    71   0.00000  1.0 1.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    68   0.15000  1.0 3.0
   63    58    65    66  -0.11250  1.0 3.0
   63    58    65    67  -0.11250  1.0 3.0
   63    58    65    68  -0.11250  1.0 3.0
   64    63    71    44   3.00000 -1.0 2.0
   71    44    51    52   0.23400  1.0 3.0
   71    44    51    55   0.62750  1.0 1.0
   71    44    51    55  -0.30950 -1.0 2.0
   71    44    51    55   0.27300  1.0 3.0
   71    44   -51    58   0.62750  1.0 1.0
   71    44   -51    58  -0.30950 -1.0 2.0
   71    44   -51    58   0.27300  1.0 3.0
   65    58    63    64   0.30150 -1.0 2.0
   65    58    63    71   0.36750  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    51   0.56750  1.0 1.0
   47    43    44    51  -0.07550 -1.0 2.0
   47    43    44    51   0.20000  1.0 3.0
   47    43    44    71   0.62750  1.0 1.0
   47    43    44    71  -0.30950 -1.0 2.0
   47    43    44    71   0.27300  1.0 3.0
   47    43    46    33   0.56750  1.0 1.0
   47    43    46    33  -0.07550 -1.0 2.0
   47    43    46    33   0.20000  1.0 3.0
   47    43    46    69   0.56750  1.0 1.0
   47    43    46    69  -0.07550 -1.0 2.0
   47    43    46    69   0.20000  1.0 3.0
   47    43    46    53   0.86500  1.0 1.0
   47    43    46    53  -0.17500 -1.0 2.0
   47    43    46    53   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   58    71    63    64  10.50000 -1.0 2.0
END
