* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    148    240     444
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02071    99.84178   -49.59542
    3     1 S   H    _H1_     3     1.02062    78.23076    57.58810
    4     1 S   H    _H2_     4     1.02147    37.20258  -157.63110
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C14    36     1.87362    96.53250   161.86098
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C9_    37     1.55402   105.91224   159.98870
   38    37 S   HC   _H26    38     1.10253   107.50320    44.98568
   39    33 S   CT   _C13    58     1.60834   112.06103   -81.69354
   40    33 S   CT   _C18    71     1.54554   101.84085    40.63550
   41    40 S   HC   _H38    72     1.08291   108.87432   -66.43936
   42    40 S   HC   _H39    73     1.08264   108.88131   173.61847
   43    40 S   HC   _H40    74     1.08257   108.96368    53.58484
   44    37 S   CO4  _C4_    39     1.52267   121.46769   -73.93985
   45    44 S   O    _O16    40     1.22348   125.49844    32.11301
   46    39 S   CT   _C16    59     1.56060   112.37679   -35.71515
   47    46 S   HC   _H32    60     1.07851   108.09761    57.48151
   48    46 S   HC   _H33    61     1.07765   108.08701   -62.48925
   49    46 S   HC   _H34    62     1.07766   108.17370   177.48487
   50    39 S   CT   _C17    63     1.55011   112.24664    82.51779
   51    50 S   HC   _H35    64     1.08166   108.69769   -55.79991
   52    50 S   HC   _H36    65     1.08196   108.64414  -175.75411
   53    50 S   HC   _H37    66     1.08095   108.73611    64.21875
   54    44 S   CT   _C5_    41     1.51514   111.37601  -150.47909
   55    54 S   HC   _H18    42     1.09440   108.82707   112.26813
   56    54 S   HC   _H19    43     1.09213   110.74123  -125.70034
   57    54 S   CT   _C11    44     1.53788   102.26976    -6.84931
   58    57 S   HC   _H28    45     1.09940   108.34269   -82.28392
   59    37 S   CT   _C12    46     1.56015   116.34823   163.70260
   60    57 S   CT   _C15    67     1.52191   112.23016   159.59826
   61    60 S   HC   _H29    68     1.09052   110.09919   -61.15282
   62    60 S   HC   _H30    69     1.09110   110.06861   178.92626
   63    60 S   HC   _H31    70     1.09020   110.08595    58.85113
   64    59 S   CT   _C7_    47     1.54396   114.44049    48.49092
   65    64 S   HC   _H22    48     1.09569   111.86905   157.13243
   66    64 S   HC   _H23    49     1.09198   113.20249    37.49370
   67    64 S   CT   _C6_    50     1.53353   105.17267   -86.65399
   68    67 S   HC   _H20    51     1.09037   113.12432   128.30341
   69    67 S   HC   _H21    52     1.09794   108.64612  -114.48925
   70    67 S   CT   _C10    53     1.53677   105.29625     2.18758
   71    70 S   HC   _H27    54     1.09635   109.69760  -148.23824
   72    59 S   CT   _C8_    55     1.52333   107.70148   -63.45366
   73    72 S   HC   _H24    56     1.09331   113.61002   -50.41132
   74    72 S   HC   _H25    57     1.09720   111.45897  -171.52576
  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
  25   2   1   1  25   9  23   8   2   1   1  10   5  11   4   3
   2   7   3   2   1  11   5   4  14   7  15   5   2   1   1  10
   6   5   7   4   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    59    70    39    46    50    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    54    57    59    64    67    70    71    72    39    46    47    48    49    50    51    52    53    40    41    42    43  
   35    36  
   36  
    0  
   38    44    45    54    55    56    57    58    59    64    65    66    67    70    72    73    74    39    46    50    60    40    41    42    43  
   44    45    54    57    59    64    72    39    40  
   46    47    48    49    50    51    52    53    40    41    42    43    44    59    64    67    68    69    70    71    72    73    74  
   41    42    43    44    46    50    59    70  
   42    43  
   43  
    0  
   45    54    55    56    57    58    59    64    72    60  
   54    55    56    57    59  
   47    48    49    50    51    52    53    67    70    71    72  
   48    49    50    70  
   49    50    70  
   50    70  
   51    52    53    67    70    71    72  
   52    53    70  
   53    70  
   70  
   55    56    57    58    59    64    72    60    61    62    63  
   56    57    58    59    60  
   57    58    59    60  
   58    59    64    65    66    67    70    72    73    74    60    61    62    63  
   59    64    72    60    61    62    63  
   64    65    66    67    68    69    70    71    72    73    74    60    61    62    63  
   61    62    63    64    72  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    72    73    74  
   66    67    68    69    70    72  
   67    68    69    70    72  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   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
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    39   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    44   317.000  1.522
   37    59   268.000  1.529
   44    45   570.000  1.229
   44    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    60   268.000  1.529
   59    64   268.000  1.529
   59    72   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    39   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   39    46   268.000  1.529
   39    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   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    39    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    37    59    58.35000  112.70000
   33    39    70    58.35000  112.70000
   33    39    46    58.35000  112.70000
   33    39    50    58.35000  112.70000
   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    54    70.00000  116.00000
   37    59    57    58.35000  112.70000
   37    59    64    58.35000  112.70000
   37    59    72    58.35000  112.70000
   44    37    38    35.00000  109.50000
   44    54    55    35.00000  109.50000
   44    54    56    35.00000  109.50000
   44    54    57    63.00000  111.10000
   54    44    45    80.00000  120.40000
   54    57    58    37.50000  110.70000
   54    57    59    58.35000  112.70000
   54    57    60    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    59    64    58.35000  112.70000
   57    59    72    58.35000  112.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    37.50000  110.70000
   59    37    38    37.50000  110.70000
   59    37    44    63.00000  111.10000
   59    57    58    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    58.35000  112.70000
   59    72    70    58.35000  112.70000
   59    72    73    37.50000  110.70000
   59    72    74    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    58.35000  112.70000
   67    70    39    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    39    46    58.35000  112.70000
   70    39    50    58.35000  112.70000
   72    59    64    58.35000  112.70000
   72    70    71    37.50000  110.70000
   74    72    73    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    70    71    37.50000  110.70000
   39    70    72    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    49    37.50000  110.70000
   39    50    51    37.50000  110.70000
   39    50    52    37.50000  110.70000
   39    50    53    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    39    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    39    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    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    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    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    37    59   0.44750  1.0 1.0
   29    33    37    59  -0.17800 -1.0 2.0
   29    33    37    59   0.20200  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  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    54   0.60050  1.0 1.0
   33    37    44    54   0.05600 -1.0 2.0
   33    37    44    54   0.26150  1.0 3.0
   33    37    59    57   0.56750  1.0 1.0
   33    37    59    57  -0.07550 -1.0 2.0
   33    37    59    57   0.20000  1.0 3.0
   33    37    59    64   0.56750  1.0 1.0
   33    37    59    64  -0.07550 -1.0 2.0
   33    37    59    64   0.20000  1.0 3.0
   33    37    59    72   0.56750  1.0 1.0
   33    37    59    72  -0.07550 -1.0 2.0
   33    37    59    72   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.15000  1.0 3.0
   33    39    46    49   0.15000  1.0 3.0
   33    39    50    51   0.15000  1.0 3.0
   33    39    50    52   0.15000  1.0 3.0
   33    39    50    53   0.15000  1.0 3.0
   37    33    39    70   0.56750  1.0 1.0
   37    33    39    70  -0.07550 -1.0 2.0
   37    33    39    70   0.20000  1.0 3.0
   37    33    39    46   0.56750  1.0 1.0
   37    33    39    46  -0.07550 -1.0 2.0
   37    33    39    46   0.20000  1.0 3.0
   37    33    39    50   0.56750  1.0 1.0
   37    33    39    50  -0.07550 -1.0 2.0
   37    33    39    50   0.20000  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    54    55   0.00000  1.0 1.0
   37    44    54    56   0.00000  1.0 1.0
   37    44   -54    57   0.60050  1.0 1.0
   37    44   -54    57   0.05600 -1.0 2.0
   37    44   -54    57   0.26150  1.0 3.0
   37    59    64    65   0.15000  1.0 3.0
   37    59    64    66   0.15000  1.0 3.0
   37    59    64    67   0.56750  1.0 1.0
   37    59    64    67  -0.07550 -1.0 2.0
   37    59    64    67   0.20000  1.0 3.0
   37    59   -72    70   0.56750  1.0 1.0
   37    59   -72    70  -0.07550 -1.0 2.0
   37    59   -72    70   0.20000  1.0 3.0
   37    59    72    73   0.15000  1.0 3.0
   37    59    72    74   0.15000  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    54   0.00000  1.0 1.0
   38    37    59    57   0.15000  1.0 3.0
   38    37    59    64   0.15000  1.0 3.0
   38    37    59    72   0.15000  1.0 3.0
   44    37   -59    57  -0.95700  1.0 1.0
   44    37   -59    57  -0.18200 -1.0 2.0
   44    37   -59    57   0.29450  1.0 3.0
   44    37    59    64  -0.95700  1.0 1.0
   44    37    59    64  -0.18200 -1.0 2.0
   44    37    59    64   0.29450  1.0 3.0
   44    37    59    72  -0.95700  1.0 1.0
   44    37    59    72  -0.18200 -1.0 2.0
   44    37    59    72   0.29450  1.0 3.0
   44    54    57    58  -0.11250  1.0 3.0
   44    54   -57    59  -0.95700  1.0 1.0
   44    54   -57    59  -0.18200 -1.0 2.0
   44    54   -57    59   0.29450  1.0 3.0
   44    54    57    60  -0.95700  1.0 1.0
   44    54    57    60  -0.18200 -1.0 2.0
   44    54    57    60   0.29450  1.0 3.0
   45    44    54    55   0.00000  1.0 1.0
   45    44    54    56   0.00000  1.0 1.0
   45    44    54    57   0.30150 -1.0 2.0
   54    57   -59    37   0.56750  1.0 1.0
   54    57   -59    37  -0.07550 -1.0 2.0
   54    57   -59    37   0.20000  1.0 3.0
   54    57    59    64   0.56750  1.0 1.0
   54    57    59    64  -0.07550 -1.0 2.0
   54    57    59    64   0.20000  1.0 3.0
   54    57    59    72   0.56750  1.0 1.0
   54    57    59    72  -0.07550 -1.0 2.0
   54    57    59    72   0.20000  1.0 3.0
   54    57    60    61   0.15000  1.0 3.0
   54    57    60    62   0.15000  1.0 3.0
   54    57    60    63   0.15000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    60   0.15000  1.0 3.0
   57    59    64    65   0.15000  1.0 3.0
   57    59    64    66   0.15000  1.0 3.0
   57    59    64    67   0.56750  1.0 1.0
   57    59    64    67  -0.07550 -1.0 2.0
   57    59    64    67   0.20000  1.0 3.0
   57    59    72    70   0.56750  1.0 1.0
   57    59    72    70  -0.07550 -1.0 2.0
   57    59    72    70   0.20000  1.0 3.0
   57    59    72    73   0.15000  1.0 3.0
   57    59    72    74   0.15000  1.0 3.0
   58    57    59    37   0.15000  1.0 3.0
   58    57    59    64   0.15000  1.0 3.0
   58    57    59    72   0.15000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    37    44    45   0.30150 -1.0 2.0
   59    37   -44    54   0.60050  1.0 1.0
   59    37   -44    54   0.05600 -1.0 2.0
   59    37   -44    54   0.26150  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64   -67    70   0.56750  1.0 1.0
   59    64   -67    70  -0.07550 -1.0 2.0
   59    64   -67    70   0.20000  1.0 3.0
   64    59   -72    70   0.56750  1.0 1.0
   64    59   -72    70  -0.07550 -1.0 2.0
   64    59   -72    70   0.20000  1.0 3.0
   64    59    72    73   0.15000  1.0 3.0
   64    59    72    74   0.15000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67   -70    72   0.56750  1.0 1.0
   64    67   -70    72  -0.07550 -1.0 2.0
   64    67   -70    72   0.20000  1.0 3.0
   64    67    70    39   0.56750  1.0 1.0
   64    67    70    39  -0.07550 -1.0 2.0
   64    67    70    39   0.20000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70   -72    59   0.56750  1.0 1.0
   67    70   -72    59  -0.07550 -1.0 2.0
   67    70   -72    59   0.20000  1.0 3.0
   67    70    72    73   0.15000  1.0 3.0
   67    70    72    74   0.15000  1.0 3.0
   67    70    39    33   0.56750  1.0 1.0
   67    70    39    33  -0.07550 -1.0 2.0
   67    70    39    33   0.20000  1.0 3.0
   67    70    39    46   0.56750  1.0 1.0
   67    70    39    46  -0.07550 -1.0 2.0
   67    70    39    46   0.20000  1.0 3.0
   67    70    39    50   0.56750  1.0 1.0
   67    70    39    50  -0.07550 -1.0 2.0
   67    70    39    50   0.20000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    39   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    39   0.15000  1.0 3.0
   70    39    46    47   0.15000  1.0 3.0
   70    39    46    48   0.15000  1.0 3.0
   70    39    46    49   0.15000  1.0 3.0
   70    39    50    51   0.15000  1.0 3.0
   70    39    50    52   0.15000  1.0 3.0
   70    39    50    53   0.15000  1.0 3.0
   71    70    72    59   0.15000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    39    33   0.15000  1.0 3.0
   71    70    39    46   0.15000  1.0 3.0
   71    70    39    50   0.15000  1.0 3.0
   72    59    64    65   0.15000  1.0 3.0
   72    59    64    66   0.15000  1.0 3.0
   72    59   -64    67   0.56750  1.0 1.0
   72    59   -64    67  -0.07550 -1.0 2.0
   72    59   -64    67   0.20000  1.0 3.0
   72    70   -39    33   0.56750  1.0 1.0
   72    70   -39    33  -0.07550 -1.0 2.0
   72    70   -39    33   0.20000  1.0 3.0
   72    70    39    46   0.56750  1.0 1.0
   72    70    39    46  -0.07550 -1.0 2.0
   72    70    39    46   0.20000  1.0 3.0
   72    70    39    50   0.56750  1.0 1.0
   72    70    39    50  -0.07550 -1.0 2.0
   72    70    39    50   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    44  -0.95700  1.0 1.0
   39    33    37    44  -0.18200 -1.0 2.0
   39    33    37    44   0.29450  1.0 3.0
   39    33    37    59   0.56750  1.0 1.0
   39    33    37    59  -0.07550 -1.0 2.0
   39    33    37    59   0.20000  1.0 3.0
   39    33    40    41   0.15000  1.0 3.0
   39    33    40    42   0.15000  1.0 3.0
   39    33    40    43   0.15000  1.0 3.0
   39    70   -72    59   0.56750  1.0 1.0
   39    70   -72    59  -0.07550 -1.0 2.0
   39    70   -72    59   0.20000  1.0 3.0
   39    70    72    73   0.15000  1.0 3.0
   39    70    72    74   0.15000  1.0 3.0
   46    39    50    51   0.15000  1.0 3.0
   46    39    50    52   0.15000  1.0 3.0
   46    39    50    53   0.15000  1.0 3.0
   50    39    46    47   0.15000  1.0 3.0
   50    39    46    48   0.15000  1.0 3.0
   50    39    46    49   0.15000  1.0 3.0
   60    57    59    37   0.56750  1.0 1.0
   60    57    59    37  -0.07550 -1.0 2.0
   60    57    59    37   0.20000  1.0 3.0
   60    57    59    64   0.56750  1.0 1.0
   60    57    59    64  -0.07550 -1.0 2.0
   60    57    59    64   0.20000  1.0 3.0
   60    57    59    72   0.56750  1.0 1.0
   60    57    59    72  -0.07550 -1.0 2.0
   60    57    59    72   0.20000  1.0 3.0
   40    33    37    38   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    37    59   0.56750  1.0 1.0
   40    33    37    59  -0.07550 -1.0 2.0
   40    33    37    59   0.20000  1.0 3.0
   40    33    39    70   0.56750  1.0 1.0
   40    33    39    70  -0.07550 -1.0 2.0
   40    33    39    70   0.20000  1.0 3.0
   40    33    39    46   0.56750  1.0 1.0
   40    33    39    46  -0.07550 -1.0 2.0
   40    33    39    46   0.20000  1.0 3.0
   40    33    39    50   0.56750  1.0 1.0
   40    33    39    50  -0.07550 -1.0 2.0
   40    33    39    50   0.20000  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    54    44    45  10.50000 -1.0 2.0
END
