* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    142    220     415
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02093    33.13106   175.62400
    3     1 S   H    _H1_     3     1.02058    92.99002   -64.06208
    4     1 S   H    _H2_     4     1.02016    87.39029    44.54548
    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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   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   _C18    36     1.86406    96.84252  -180.00000
   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   CM   _C5_    37     1.51962   105.09914   -60.04577
   38    37 S   HC   _H22    38     1.09196   115.89034    87.31616
   39    33 S   CM   _C6_    67     1.52971   107.19752    62.17792
   40    39 S   HC   _H23    68     1.09451   113.35858    31.17295
   41    33 S   CT   _C17    73     1.53861   106.33630   177.75860
   42    41 S   HC   _H38    74     1.09767   111.01637   -64.17078
   43    41 S   HC   _H39    75     1.09708   112.02646   176.78947
   44    41 S   HC   _H40    76     1.09748   112.12703    55.96295
   45    37 S   CM   _C4_    39     1.34443   127.48859   -92.63262
   46    45 S   HC   _H21    40     1.08554   119.60367     0.16551
   47    39 S   CMA  _C7_    69     1.35569   131.02997  -146.17502
   48    47 S   OM   _O16    70     1.26376   128.34484  -179.98022
   49    45 S   C3T  _C11    41     1.46885   125.12951   179.48074
   50    47 S   OH   _O18    71     1.41141   110.68735    -0.69097
   51    50 S   HO   _H41    72     0.97362   105.18264   179.97202
   52    49 S   CT   _C12    42     1.51856   115.94076   -90.01920
   53    49 S   O3T  _O17    52     1.44394   117.62618    51.60664
   54    52 S   CT   _C8_    43     1.54842   111.29462  -138.13985
   55    54 S   HC   _H24    44     1.09391   109.53738  -164.20819
   56    54 S   HC   _H25    45     1.09148   109.81869    78.45422
   57    52 S   CT   _C14    59     1.54312   108.94320   -19.22283
   58    57 S   HC   _H29    60     1.08050   108.73108    59.03183
   59    57 S   HC   _H30    61     1.08177   108.65058   -60.97751
   60    57 S   HC   _H31    62     1.08174   108.71462   179.07212
   61    52 S   CT   _C15    63     1.54181   110.35568    98.79255
   62    61 S   HC   _H32    64     1.08232   108.80883   -56.47960
   63    61 S   HC   _H33    65     1.08232   108.83347  -176.50862
   64    61 S   HC   _H34    66     1.08242   108.83937    63.54982
   65    54 S   CT   _C10    46     1.52933   113.35831   -44.21996
   66    65 S   HC   _H28    47     1.06835   110.18649   -58.76563
   67    65 S   CT   _C9_    48     1.52826   110.61961    63.62864
   68    67 S   HC   _H26    49     1.09851   109.20658    74.25303
   69    67 S   HC   _H27    50     1.09843   109.14798  -169.42251
   70    65 S   OH   _O19    57     1.42494   108.42207  -176.74075
   71    70 S   HO   _H42    58     0.97020   106.71851   179.97202
   72    49 S   C3T  _C13    51     1.50982   116.41020   117.20746
   73    72 S   CT   _C16    53     1.49651   120.55677    -9.08614
   74    73 S   HC   _H35    54     1.10048   111.54335   -19.21068
   75    73 S   HC   _H36    55     1.10028   112.10579  -139.78766
   76    73 S   HC   _H37    56     1.10027   110.58371   100.31544
  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  11   5   4   3
  14   2   1   1  14   5  10   4   5   2   1   1  10   4   3   2
  22   1   1  18  12  18   7   6   9   3   2   1   5   2   1   1
   8   6   9   4   3   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    49    39    40    47    48    50    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    49    52    72    53    39    40    47    41    42    43    44  
   45    46    49    39    41  
   40    47    48    50    51    41    42    43    44    45  
   47    48    50    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    49    52    54    67    72    53    73    57    61  
   49    52    72    53  
   48    50    51  
   50    51  
   52    54    55    56    65    67    68    69    72    53    73    74    75    76    57    58    59    60    61    62    63    64  
   51  
    0  
   54    55    56    65    66    67    72    53    73    70    57    58    59    60    61    62    63    64  
   73    74    75    76    57    61    54    65    67    68    69    72  
   55    56    65    66    67    68    69    72    70    71    57    58    59    60    61    62    63    64  
   56    65    66    67    70    57    61  
   65    66    67    70    57    61  
   58    59    60    61    62    63    64    65    72  
   59    60    61  
   60    61  
   61  
   62    63    64    65    72  
   63    64  
   64  
    0  
   66    67    68    69    72    73    70    71  
   67    68    69    72    70    71  
   68    69    72    73    74    75    76    70    71  
   69    72    73    70  
   72    73    70  
   71    72  
    0  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   50   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   76   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   317.000  1.510
   33    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    49   305.000  1.480
   49    52   275.000  1.510
   49    72   260.000  1.509
   49    53   335.000  1.432
   52    54   268.000  1.529
   52    57   268.000  1.529
   52    61   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   275.000  1.510
   72    53   335.000  1.432
   72    73   275.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   70    71   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    50   510.000  1.338
   50    51   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    49    55.00000  125.06700
   45    37    38    35.00000  120.00000
   45    49    52    65.00000  117.55000
   45    49    72    60.00000  120.58800
   45    49    53    85.00000  114.23300
   49    45    46    40.00000  117.24000
   49    52    54    70.00000  112.37300
   49    52    57    70.00000  112.37300
   49    52    61    70.00000  112.37300
   49    72    67    60.00000  120.94000
   49    72    53    15.00000   60.43100
   49    72    73    60.00000  120.94000
   49    53    72    15.00000   59.14900
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    65    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    37.50000  110.70000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    64    37.50000  110.70000
   54    65    66    37.50000  110.70000
   54    65    67    58.35000  112.70000
   54    65    70    50.00000  109.50000
   56    54    55    33.00000  107.80000
   65    54    55    37.50000  110.70000
   65    54    56    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    72    70.00000  112.37300
   65    70    71    55.00000  108.50000
   67    65    66    37.50000  110.70000
   67    72    53    80.00000  116.47100
   67    72    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    49    52    60.00000  120.94000
   72    67    68    45.00000  109.38400
   72    67    69    45.00000  109.38400
   72    73    74    45.00000  109.38400
   72    73    75    45.00000  109.38400
   72    73    76    45.00000  109.38400
   53    49    52    80.00000  116.47100
   53    49    72    15.00000   60.43100
   73    72    53    80.00000  116.47100
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    50.00000  109.50000
   57    52    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    52    54    58.35000  112.70000
   61    52    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    50    80.00000  121.38400
   47    39    40    40.00000  120.50800
   47    50    51    70.00000  107.45700
   50    47    48   115.00000  116.36000
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    49   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    50   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    49    52   0.09850  1.0 1.0
   37    45    49    52   0.15250 -1.0 2.0
   37    45    49    52  -0.50650  1.0 3.0
   37    45    49    72   0.09850  1.0 1.0
   37    45    49    72   0.15250 -1.0 2.0
   37    45    49    72  -0.50650  1.0 3.0
   37    45    49    53   0.39000  1.0 1.0
   37    45    49    53  -0.05800 -1.0 2.0
   37    45    49    53  -0.55150  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    49   7.00000 -1.0 2.0
   45    49    52    54   0.34400  1.0 1.0
   45    49    52    54   0.09450 -1.0 2.0
   45    49    52    54   0.11100  1.0 3.0
   45    49    52    57   0.34400  1.0 1.0
   45    49    52    57   0.09450 -1.0 2.0
   45    49    52    57   0.11100  1.0 3.0
   45    49    52    61   0.34400  1.0 1.0
   45    49    52    61   0.09450 -1.0 2.0
   45    49    52    61   0.11100  1.0 3.0
   45    49    72    67   0.34400  1.0 1.0
   45    49    72    67   0.09450 -1.0 2.0
   45    49    72    67   0.11100  1.0 3.0
   45    49   -72    53   0.61850  1.0 1.0
   45    49   -72    53  -0.22750 -1.0 2.0
   45    49   -72    53   0.15300  1.0 3.0
   45    49    72    73   0.34400  1.0 1.0
   45    49    72    73   0.09450 -1.0 2.0
   45    49    72    73   0.11100  1.0 3.0
   45    49   -53    72  -0.77900  1.0 1.0
   45    49   -53    72  -0.36900 -1.0 2.0
   45    49   -53    72   0.40400  1.0 3.0
   46    45    49    52   0.00000  1.0 1.0
   46    45    49    72   0.00000  1.0 1.0
   46    45    49    53   0.00000  1.0 1.0
   49    52    54    55   0.15000  1.0 3.0
   49    52    54    56   0.15000  1.0 3.0
   49    52    54    65   0.47050  1.0 1.0
   49    52    54    65   0.03900 -1.0 2.0
   49    52    54    65   0.20100  1.0 3.0
   49    52    57    58   0.15000  1.0 3.0
   49    52    57    59   0.15000  1.0 3.0
   49    52    57    60   0.15000  1.0 3.0
   49    52    61    62   0.15000  1.0 3.0
   49    52    61    63   0.15000  1.0 3.0
   49    52    61    64   0.15000  1.0 3.0
   49    72    73    74   0.15000  1.0 3.0
   49    72    73    75   0.15000  1.0 3.0
   49    72    73    76   0.15000  1.0 3.0
   52    49    72    67   0.56750  1.0 1.0
   52    49    72    67  -0.07550 -1.0 2.0
   52    49    72    67   0.20000  1.0 3.0
   52    49   -72    53   0.02550  1.0 1.0
   52    49   -72    53  -0.02600 -1.0 2.0
   52    49   -72    53   1.20400  1.0 3.0
   52    49    72    73   0.56750  1.0 1.0
   52    49    72    73  -0.07550 -1.0 2.0
   52    49    72    73   0.20000  1.0 3.0
   52    49   -53    72   0.06250  1.0 1.0
   52    49   -53    72  -0.01100 -1.0 2.0
   52    49   -53    72   0.28050  1.0 3.0
   52    54    65    66   0.15000  1.0 3.0
   52    54   -65    67   0.56750  1.0 1.0
   52    54   -65    67  -0.07550 -1.0 2.0
   52    54   -65    67   0.20000  1.0 3.0
   52    54    65    70   0.86500  1.0 1.0
   52    54    65    70  -0.17500 -1.0 2.0
   52    54    65    70   0.20800  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    60   0.15000  1.0 3.0
   54    52    61    62   0.15000  1.0 3.0
   54    52    61    63   0.15000  1.0 3.0
   54    52    61    64   0.15000  1.0 3.0
   54    65    67    68   0.15000  1.0 3.0
   54    65    67    69   0.15000  1.0 3.0
   54    65    67    72   0.47050  1.0 1.0
   54    65    67    72   0.03900 -1.0 2.0
   54    65    67    72   0.20100  1.0 3.0
   54    65    70    71  -0.11600  1.0 1.0
   54    65    70    71  -0.09450 -1.0 2.0
   54    65    70    71   0.21250  1.0 3.0
   55    54    65    66   0.15000  1.0 3.0
   55    54    65    67   0.15000  1.0 3.0
   55    54    65    70   0.23400  1.0 3.0
   56    54    65    66   0.15000  1.0 3.0
   56    54    65    67   0.15000  1.0 3.0
   56    54    65    70   0.23400  1.0 3.0
   65    67   -72    49   0.07850  1.0 1.0
   65    67   -72    49  -0.03950 -1.0 2.0
   65    67   -72    49   0.67350  1.0 3.0
   65    67    72    53   0.02550  1.0 1.0
   65    67    72    53  -0.02600 -1.0 2.0
   65    67    72    53   1.20400  1.0 3.0
   65    67    72    73   0.56750  1.0 1.0
   65    67    72    73  -0.07550 -1.0 2.0
   65    67    72    73   0.20000  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    72   0.15000  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71  -0.11600  1.0 1.0
   67    65    70    71  -0.09450 -1.0 2.0
   67    65    70    71   0.21250  1.0 3.0
   67    72   -53    49   0.06250  1.0 1.0
   67    72   -53    49  -0.01100 -1.0 2.0
   67    72   -53    49   0.28050  1.0 3.0
   67    72    73    74   0.15000  1.0 3.0
   67    72    73    75   0.15000  1.0 3.0
   67    72    73    76   0.15000  1.0 3.0
   68    67    72    49   0.15000  1.0 3.0
   68    67    72    53   0.23400  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   69    67    72    49   0.15000  1.0 3.0
   69    67    72    53   0.23400  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   72    49   -52    54   0.07850  1.0 1.0
   72    49   -52    54  -0.03950 -1.0 2.0
   72    49   -52    54   0.67350  1.0 3.0
   72    49    52    57   0.07850  1.0 1.0
   72    49    52    57  -0.03950 -1.0 2.0
   72    49    52    57   0.67350  1.0 3.0
   72    49    52    61   0.07850  1.0 1.0
   72    49    52    61  -0.03950 -1.0 2.0
   72    49    52    61   0.67350  1.0 3.0
   53    49    52    54   0.02550  1.0 1.0
   53    49    52    54  -0.02600 -1.0 2.0
   53    49    52    54   1.20400  1.0 3.0
   53    49    52    57   0.02550  1.0 1.0
   53    49    52    57  -0.02600 -1.0 2.0
   53    49    52    57   1.20400  1.0 3.0
   53    49    52    61   0.02550  1.0 1.0
   53    49    52    61  -0.02600 -1.0 2.0
   53    49    52    61   1.20400  1.0 3.0
   53    49   -72    67   0.02550  1.0 1.0
   53    49   -72    67  -0.02600 -1.0 2.0
   53    49   -72    67   1.20400  1.0 3.0
   53    49   -72    73   0.02550  1.0 1.0
   53    49   -72    73  -0.02600 -1.0 2.0
   53    49   -72    73   1.20400  1.0 3.0
   53    72    73    74   0.23400  1.0 3.0
   53    72    73    75   0.23400  1.0 3.0
   53    72    73    76   0.23400  1.0 3.0
   73    72   -53    49   0.06250  1.0 1.0
   73    72   -53    49  -0.01100 -1.0 2.0
   73    72   -53    49   0.28050  1.0 3.0
   70    65    67    68   0.23400  1.0 3.0
   70    65    67    69   0.23400  1.0 3.0
   70    65    67    72   0.86500  1.0 1.0
   70    65    67    72  -0.17500 -1.0 2.0
   70    65    67    72   0.20800  1.0 3.0
   57    52    54    55   0.15000  1.0 3.0
   57    52    54    56   0.15000  1.0 3.0
   57    52    54    65   0.56750  1.0 1.0
   57    52    54    65  -0.07550 -1.0 2.0
   57    52    54    65   0.20000  1.0 3.0
   57    52    61    62   0.15000  1.0 3.0
   57    52    61    63   0.15000  1.0 3.0
   57    52    61    64   0.15000  1.0 3.0
   61    52    54    55   0.15000  1.0 3.0
   61    52    54    56   0.15000  1.0 3.0
   61    52    54    65   0.56750  1.0 1.0
   61    52    54    65  -0.07550 -1.0 2.0
   61    52    54    65   0.20000  1.0 3.0
   61    52    57    58   0.15000  1.0 3.0
   61    52    57    59   0.15000  1.0 3.0
   61    52    57    60   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   39    47    50    51  -0.66100  1.0 1.0
   39    47    50    51   1.20850 -1.0 2.0
   39    47    50    51  -0.36000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    50   7.00000 -1.0 2.0
   48    47    50    51   2.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  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
   33    38    37    45  15.00000 -1.0 2.0
   49    46    45    37  15.00000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    50    47    39  15.00000 -1.0 2.0
END
