* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    143    213     421
    1     0 S   NP   _N1_     1    28.75753    94.63370   -23.77538
    2     1 S   H    _HN1     2     1.02950    82.82034    14.72958
    3     1 S   H    _H1_     3     1.02828    26.09722   173.14176
    4     1 S   H    _H2_     4     1.02786   107.76840   -92.31717
    5     1 S   CT   _CA1     5     1.50111   130.23121   125.43970
    6     5 S   HC   _HA1     6     1.09573   105.19297    79.60427
    7     5 S   CO3  _C1_     7     1.53789   112.48117   -40.63047
    8     7 S   O2Z  _O11     8     1.26373   115.00655   -42.10917
    9     7 S   O2Z  _O12     9     1.26241   114.95058   137.03354
   10     5 S   CT   _CB1    10     1.53079   107.42037  -162.40259
   11    10 S   HC   HB11    11     1.09833   109.37305   -49.63452
   12    10 S   HC   HB12    12     1.09813   110.44572    66.97675
   13    10 S   CT   _CG1    13     1.52988   112.60557  -170.60891
   14    13 S   HC   HG11    14     1.09581   110.63648   -65.76654
   15    13 S   HC   HG12    15     1.09671   109.77957    53.46622
   16    13 S   C    _CD1    16     1.51797   112.22621   173.92433
   17    16 S   O    _OE1    17     1.22729   123.29131     7.18452
   18    16 S   N    _N2_    18     1.38655   111.66860  -172.89621
   19    18 S   H    _HN2    19     1.01577   118.92572     1.82821
   20    18 S   CT1  _CA2    20     1.46200   123.39409   177.48021
   21    20 S   HC   _HA2    21     1.09739   109.38589     3.58206
   22    20 S   C    _C2_    22     1.53576   108.64575  -111.91611
   23    22 S   O    _O2_    23     1.23065   122.25784  -147.93445
   24    20 S   CT   _CB2    32     1.53458   111.54284   125.65283
   25    24 S   HC   HB21    33     1.09387   109.64345    56.53658
   26    24 S   HC   HB22    34     1.09423   109.60468   175.38798
   27    22 S   N    _N3_    24     1.38317   113.74067    39.50368
   28    27 S   H    _HN3    25     1.01579   119.60403    -3.26303
   29    24 S   S    _SG2    35     1.82871   111.15997   -65.25671
   30    27 S   CT   _CA3    26     1.45287   123.22192   177.16448
   31    30 S   HC   HA31    27     1.09549   107.50479   -64.74033
   32    30 S   HC   HA32    28     1.09557   107.99355    51.70181
   33    29 S   CT   _C11    36     1.86075   102.16256   170.51320
   34    30 S   CO3  _C3_    29     1.52964   114.07400   173.69836
   35    34 S   O2Z  _O31    30     1.26378   116.07009    -0.79746
   36    34 S   O2Z  _O32    31     1.26428   114.41258   179.26538
   37    33 S   CT   _C7_    37     1.53918   107.15636   170.96913
   38    37 S   HC   _H20    38     1.09779   110.68111   170.40704
   39    37 S   HC   _H21    39     1.09738   111.50508    51.98500
   40    33 S   CT   _C14    74     1.53669   108.52199   -71.74712
   41    40 S   HC   _H33    75     1.09445   112.29242    66.75134
   42    40 S   HC   _H34    76     1.09631   111.77486   -55.07495
   43    40 S   HC   _H35    77     1.09674   110.65570  -174.23595
   44    37 S   CO4  _C4_    40     1.51865   112.22315   -70.68418
   45    44 S   O    _O16    41     1.22998   119.99587   132.22280
   46    44 S   CT   _C10    42     1.53733   116.12282   -52.94302
   47    46 S   HC   _H26    43     1.10038   103.82490   -64.70497
   48    46 S   CT   _C8_    44     1.53845   109.04989    50.59546
   49    48 S   HC   _H22    45     1.09525   110.08536  -170.71587
   50    48 S   HC   _H23    46     1.09489   110.65073    71.73022
   51    46 S   CT   _C18    50     1.56347   114.24145   179.01523
   52    33 S   CT   _C9_    47     1.54116   113.45451    50.94335
   53    52 S   HC   _H24    48     1.09585   111.28741   -60.55841
   54    52 S   HC   _H25    49     1.09923   108.94222  -176.10675
   55    51 S   CT   _C15    51     1.53492   112.92628   -64.62952
   56    55 S   HC   _H36    52     1.09558   111.15599   167.87044
   57    55 S   HC   _H37    53     1.09403   111.89388    50.41072
   58    55 S   HC   _H38    54     1.09429   111.89656   -70.97750
   59    51 S   CT   _C17    55     1.55402   110.55183   171.08416
   60    59 S   HC   _H41    56     1.09882   108.48339   -50.98800
   61    59 S   HC   _H42    57     1.09668   110.05366    65.64049
   62    51 S   OH   _O17    72     1.43467   108.32406    54.12467
   63    62 S   HO   _H43    73     0.97228   108.12563    57.64092
   64    59 S   CT   _C16    58     1.53600   114.70319  -171.57184
   65    64 S   HC   _H39    59     1.09360   110.88140    53.49115
   66    64 S   HC   _H40    60     1.09603   110.17538   -63.44015
   67    64 S   CM   _C5_    61     1.50438   110.95880   177.75075
   68    67 S   HC   _H19    62     1.08946   114.21360    77.79644
   69    67 S   CM   _C6_    63     1.34662   127.55827  -103.23129
   70    69 S   CT   _C12    64     1.50546   120.52516  -178.37828
   71    70 S   HC   _H27    65     1.09497   110.20209   121.05386
   72    70 S   HC   _H28    66     1.09494   110.29003  -119.12661
   73    70 S   HC   _H29    67     1.09511   112.40154     1.00949
   74    69 S   CT   _C13    68     1.50273   125.01051     2.29405
   75    74 S   HC   _H30    69     1.09544   110.05706   127.09967
   76    74 S   HC   _H31    70     1.09239   113.45475     7.58729
   77    74 S   HC   _H32    71     1.09478   110.10867  -113.57833
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  16   2   1   1  15   6   5   8   3   2   1  11   4  18   8   9
   5   4  14   2   1   1   9   4   3   2  10   6   5   2   1   7
   4   3  10   3   8   7   3   2   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    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    48    52    53    54    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    48    49    50    52    53    54    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    52    53    54    51    40    41    42    43  
   39    44    45    46    52    40  
   44    45    46    52    40  
   41    42    43    44    48    52    53    54  
   42    43    52  
   43    52  
   52  
   45    46    47    48    49    50    52    51    55    59    62  
   46    47    48    51  
   47    48    49    50    52    53    54    51    55    56    57    58    59    60    61    64    62    63  
   48    49    50    52    51    55    59    62  
   49    50    52    53    54    51    55    59    62  
   50    52    53    54    51  
   52    53    54    51  
   55    56    57    58    59    60    61    64    65    66    67    62    63    52  
   53    54  
   54  
    0  
   56    57    58    59    60    61    64    62    63  
   57    58    59    62  
   58    59    62  
   59    62  
   60    61    64    65    66    67    68    69    62    63  
   61    64    65    66    67    62  
   64    65    66    67    62  
   63    64  
    0  
   65    66    67    68    69    70    74  
   66    67    68    69  
   67    68    69  
   68    69    70    71    72    73    74    75    76    77  
   69    70    74  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   51    55   268.000  1.529
   51    59   268.000  1.529
   51    62   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   317.000  1.510
   67    68   340.000  1.080
   67    69   549.000  1.340
   69    70   317.000  1.510
   69    74   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   62    63   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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  111.63000
   29    33    52    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    52    48    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    54    37.50000  110.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    63.00000  111.10000
   44    46    51    63.00000  111.10000
   46    44    45    80.00000  120.40000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    52    58.35000  112.70000
   46    51    55    58.35000  112.70000
   46    51    59    58.35000  112.70000
   46    51    62    50.00000  109.50000
   48    46    47    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   50    48    49    33.00000  107.80000
   52    33    37    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   54    52    53    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    64    58.35000  112.70000
   51    62    63    55.00000  108.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    51    55    58.35000  112.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    70.00000  112.02700
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    67    68    35.00000  117.00000
   64    67    69    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    69    70    70.00000  124.00000
   67    69    74    70.00000  124.00000
   69    67    68    35.00000  120.00000
   69    70    71    35.00000  109.50000
   69    70    72    35.00000  109.50000
   69    70    73    35.00000  109.50000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    69    70    65.00000  117.92700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   62    51    55    50.00000  109.50000
   62    51    59    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    46   0.60050  1.0 1.0
   33    37    44    46   0.05600 -1.0 2.0
   33    37    44    46   0.26150  1.0 3.0
   37    33    52    48   0.56750  1.0 1.0
   37    33    52    48  -0.07550 -1.0 2.0
   37    33    52    48   0.20000  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    54   0.15000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    46    47   0.00000  1.0 1.0
   37    44   -46    48   0.60050  1.0 1.0
   37    44   -46    48   0.05600 -1.0 2.0
   37    44   -46    48   0.26150  1.0 3.0
   37    44    46    51   0.60050  1.0 1.0
   37    44    46    51   0.05600 -1.0 2.0
   37    44    46    51   0.26150  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    46   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    46   0.00000  1.0 1.0
   44    46    48    49  -0.11250  1.0 3.0
   44    46    48    50  -0.11250  1.0 3.0
   44    46    48    52  -0.95700  1.0 1.0
   44    46    48    52  -0.18200 -1.0 2.0
   44    46    48    52   0.29450  1.0 3.0
   44    46    51    55  -0.95700  1.0 1.0
   44    46    51    55  -0.18200 -1.0 2.0
   44    46    51    55   0.29450  1.0 3.0
   44    46    51    59  -0.95700  1.0 1.0
   44    46    51    59  -0.18200 -1.0 2.0
   44    46    51    59   0.29450  1.0 3.0
   44    46    51    62  -0.09450  1.0 1.0
   44    46    51    62  -1.12950 -1.0 2.0
   44    46    51    62   0.54000  1.0 3.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.30150 -1.0 2.0
   45    44    46    51   0.30150 -1.0 2.0
   46    48   -52    33   0.56750  1.0 1.0
   46    48   -52    33  -0.07550 -1.0 2.0
   46    48   -52    33   0.20000  1.0 3.0
   46    48    52    53   0.15000  1.0 3.0
   46    48    52    54   0.15000  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    57   0.15000  1.0 3.0
   46    51    55    58   0.15000  1.0 3.0
   46    51    59    60   0.15000  1.0 3.0
   46    51    59    61   0.15000  1.0 3.0
   46    51    59    64   0.56750  1.0 1.0
   46    51    59    64  -0.07550 -1.0 2.0
   46    51    59    64   0.20000  1.0 3.0
   46    51    62    63  -0.11600  1.0 1.0
   46    51    62    63  -0.09450 -1.0 2.0
   46    51    62    63   0.21250  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   47    46    51    59   0.15000  1.0 3.0
   47    46    51    62   0.23400  1.0 3.0
   48    46    51    55   0.56750  1.0 1.0
   48    46    51    55  -0.07550 -1.0 2.0
   48    46    51    55   0.20000  1.0 3.0
   48    46    51    59   0.56750  1.0 1.0
   48    46    51    59  -0.07550 -1.0 2.0
   48    46    51    59   0.20000  1.0 3.0
   48    46    51    62   0.86500  1.0 1.0
   48    46    51    62  -0.17500 -1.0 2.0
   48    46    51    62   0.20800  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   50    48    52    33   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    54   0.15000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    44  -0.95700  1.0 1.0
   52    33   -37    44  -0.18200 -1.0 2.0
   52    33   -37    44   0.29450  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    43   0.15000  1.0 3.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    52   0.56750  1.0 1.0
   51    46    48    52  -0.07550 -1.0 2.0
   51    46    48    52   0.20000  1.0 3.0
   51    59    64    65   0.15000  1.0 3.0
   51    59    64    66   0.15000  1.0 3.0
   51    59    64    67   0.34400  1.0 1.0
   51    59    64    67   0.09450 -1.0 2.0
   51    59    64    67   0.11100  1.0 3.0
   55    51    59    60   0.15000  1.0 3.0
   55    51    59    61   0.15000  1.0 3.0
   55    51    59    64   0.56750  1.0 1.0
   55    51    59    64  -0.07550 -1.0 2.0
   55    51    59    64   0.20000  1.0 3.0
   55    51    62    63  -0.11600  1.0 1.0
   55    51    62    63  -0.09450 -1.0 2.0
   55    51    62    63   0.21250  1.0 3.0
   59    51    55    56   0.15000  1.0 3.0
   59    51    55    57   0.15000  1.0 3.0
   59    51    55    58   0.15000  1.0 3.0
   59    51    62    63  -0.11600  1.0 1.0
   59    51    62    63  -0.09450 -1.0 2.0
   59    51    62    63   0.21250  1.0 3.0
   59    64    67    68   0.00000  1.0 1.0
   59    64    67    69   0.09850  1.0 1.0
   59    64    67    69   0.15250 -1.0 2.0
   59    64    67    69  -0.50650  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    67   0.15000  1.0 3.0
   64    67    69    70   7.00000 -1.0 2.0
   64    67    69    74   7.00000 -1.0 2.0
   65    64    67    68   0.33100  1.0 3.0
   65    64    67    69   0.00000  1.0 1.0
   66    64    67    68   0.33100  1.0 3.0
   66    64    67    69   0.00000  1.0 1.0
   67    69    70    71   0.00000  1.0 1.0
   67    69    70    72   0.00000  1.0 1.0
   67    69    70    73   0.00000  1.0 1.0
   67    69    74    75   0.00000  1.0 1.0
   67    69    74    76   0.00000  1.0 1.0
   67    69    74    77   0.00000  1.0 1.0
   68    67    69    70   7.00000 -1.0 2.0
   68    67    69    74   7.00000 -1.0 2.0
   70    69    74    75   0.34800  1.0 3.0
   70    69    74    76   0.34800  1.0 3.0
   70    69    74    77   0.34800  1.0 3.0
   74    69    70    71   0.34800  1.0 3.0
   74    69    70    72   0.34800  1.0 3.0
   74    69    70    73   0.34800  1.0 3.0
   62    51    55    56   0.23400  1.0 3.0
   62    51    55    57   0.23400  1.0 3.0
   62    51    55    58   0.23400  1.0 3.0
   62    51    59    60   0.23400  1.0 3.0
   62    51    59    61   0.23400  1.0 3.0
   62    51    59    64   0.86500  1.0 1.0
   62    51    59    64  -0.17500 -1.0 2.0
   62    51    59    64   0.20800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    52    48   0.56750  1.0 1.0
   40    33    52    48  -0.07550 -1.0 2.0
   40    33    52    48   0.20000  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    54   0.15000  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
   36    30    34    35  10.50000 -1.0 2.0
   37    46    44    45  10.50000 -1.0 2.0
   64    68    67    69  15.00000 -1.0 2.0
   70    74    69    67  15.00000 -1.0 2.0
END
