* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    147    242     434
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02153    42.79423  -140.51667
    3     1 S   H    _H1_     3     1.02079   103.70230   -37.73225
    4     1 S   H    _H2_     4     1.02033    70.51323    67.57003
    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     1.08547   109.95733   179.17291
   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   _C12    36     1.85081    97.22557  -178.14333
   34    33 S   HC   _H3_    37     1.09743   101.11944   -36.41743
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C9_    38     1.57570   118.85283    80.01350
   39    38 S   OM   _O16    39     1.32049   112.16018    -0.44235
   40    38 S   HC   _H29    40     1.09917   105.32862  -130.66353
   41    38 S   C3T  _C15    41     1.53863   104.37519   118.87091
   42    41 S   C3T  _C7_    42     1.52996   117.44634   150.40249
   43    42 S   HC   _H26    43     1.07832   121.65191  -147.51877
   44    42 S   HC   _H27    44     1.08432   118.40734     0.33279
   45    41 S   CT   _C14    46     1.53953   111.90412    -7.95470
   46    41 S   O3T  _O19    45     1.44433   117.66773  -144.39588
   47    45 S   CT   _C11    47     1.56445   117.22431   144.95174
   48    47 S   HC   _H31    48     1.09751   107.98626   162.91336
   49    45 S   CT   _C18    72     1.55349   108.33594   -93.60229
   50    49 S   HC   _H36    73     1.08012   108.51995    52.56903
   51    49 S   HC   _H37    74     1.08070   108.49673   -67.43133
   52    49 S   HC   _H38    75     1.07944   108.51907   172.62408
   53    47 S   CT   _C10    49     1.54337   115.12997   -78.38072
   54    53 S   HC   _H30    50     1.09540   112.26191   171.88098
   55    47 S   OH   _O20    70     1.42382   113.19209    48.11788
   56    55 S   HO   _H39    71     0.97040   106.65085   170.40419
   57    53 S   CT   _C13    51     1.52378   111.47521   -60.27043
   58    57 S   CT   _C8_    52     1.53755    97.73462    71.03276
   59    58 S   HC   _H28    53     1.09571   110.36444   161.74826
   60    57 S   CM   _C6_    60     1.49303   116.05546   -55.20969
   61    57 S   OH   _O21    68     1.43438   110.53334  -174.13907
   62    61 S   HO   _H40    69     0.96705   106.07829    65.69007
   63    58 S   CO4  _C4_    54     1.51559    97.82204    46.86960
   64    63 S   O    _O17    55     1.21904   126.81651   147.19170
   65    33 S   CT   _C16    57     1.57054   114.88077  -152.29672
   66    60 S   CM   _C5_    61     1.34057   121.90444   145.35039
   67    66 S   HC   _H24    62     1.08464   121.36636   179.96574
   68    66 S   HC   _H25    63     1.08472   121.36834    -0.02798
   69    60 S   CT   _C17    64     1.49946   116.14541   -34.70064
   70    69 S   HC   _H33    65     1.09510   110.34259   -89.99557
   71    69 S   HC   _H34    66     1.09448   110.34872    29.85752
   72    69 S   HC   _H35    67     1.09544   112.10522   149.96374
   73    53 S   OS   _O18    56     1.44429   109.93621    52.26643
   74    65 S   OH   _O22    58     1.42904   110.36626    14.44007
   75    74 S   HO   _H41    59     0.96888   106.30716    60.69438
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  13   6   5  16   7   3   2  19   3  17   8
   8   3   2   1  15   7   4   1  17  12   7  12   6   1   4   2
   3   6   2   1   3   2   1   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    65    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    58    65    74  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    45    47    57    58    59    63    65    74    75    49  
   38    39    40    41    45    58    65    74  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    45    47    58    65    74    49  
   40    41    42    46    45    65  
   41    42    46    45    65  
   42    43    44    46    45    47    48    53    58    65    74    55    49    50    51    52  
   43    44    46    45    47    65    49  
   44    46    45  
   46    45  
   47    48    53    54    57    58    59    63    73    65    74    75    55    56    49    50    51    52    46  
   47    65    49  
   48    53    54    57    58    63    73    65    74    60    61    55    56    49    50    51    52  
   53    54    57    73    65    55    56    49  
   50    51    52    53    55    58    65    74  
   51    52    65  
   52    65  
   65  
   54    57    58    59    63    64    73    65    60    66    69    61    62    55    56  
   57    58    63    73    60    61    55  
   56    57    65    73  
    0  
   58    59    63    64    73    65    74    60    66    67    68    69    70    71    72    61    62  
   59    63    64    73    65    74    75    60    66    69    61    62  
   63    64    73    65    74    60    61  
   66    67    68    69    70    71    72    61    62    63    65    73  
   62    63    65    66    69    73  
    0  
   64    73    65    74  
   73    65  
   74    75    73  
   67    68    69    70    71    72  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
    0  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    65   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   275.000  1.510
   41    42   260.000  1.509
   41    46   335.000  1.432
   41    45   275.000  1.510
   42    43   340.000  1.088
   42    44   340.000  1.088
   42    46   335.000  1.432
   45    47   268.000  1.529
   45    65   268.000  1.529
   45    49   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    55   320.000  1.410
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    73   320.000  1.410
   57    58   268.000  1.529
   57    60   317.000  1.510
   57    61   320.000  1.410
   58    59   340.000  1.090
   58    63   317.000  1.522
   58    65   268.000  1.529
   63    64   570.000  1.229
   63    73   214.000  1.327
   65    74   320.000  1.410
   74    75   553.000  0.945
   60    66   549.000  1.340
   60    69   317.000  1.510
   66    67   340.000  1.080
   66    68   340.000  1.080
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   61    62   553.000  0.945
   55    56   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    65    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.37300
   33    65    45    58.35000  112.70000
   33    65    58    58.35000  112.70000
   33    65    74    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    60.00000  120.94000
   38    41    46    80.00000  116.47100
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    45.00000  109.38400
   41    42    43    37.50000  117.20000
   41    42    44    37.50000  117.20000
   41    42    46    15.00000   60.43100
   41    46    42    15.00000   59.14900
   41    45    47    70.00000  112.37300
   41    45    65    70.00000  112.37300
   41    45    49    70.00000  112.37300
   44    42    43    35.00000  114.30000
   46    41    42    15.00000   60.43100
   46    42    43    50.00000  114.27700
   46    42    44    50.00000  114.27700
   45    41    42    60.00000  120.94000
   45    41    46    80.00000  116.47100
   45    47    48    37.50000  110.70000
   45    47    53    58.35000  112.70000
   45    47    55    50.00000  109.50000
   45    65    58    58.35000  112.70000
   45    65    74    50.00000  109.50000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    52    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    57    58.35000  112.70000
   47    53    73    50.00000  109.50000
   47    55    56    55.00000  108.50000
   53    47    48    37.50000  110.70000
   53    57    58    58.35000  112.70000
   53    57    60    70.00000  112.02700
   53    57    61    50.00000  109.50000
   53    73    63    83.00000  116.90000
   57    53    54    37.50000  110.70000
   57    58    59    37.50000  110.70000
   57    58    63    63.00000  111.10000
   57    58    65    58.35000  112.70000
   57    60    66    70.00000  124.00000
   57    60    69    65.00000  117.92700
   57    61    62    55.00000  108.50000
   58    63    64    80.00000  120.40000
   58    63    73    81.00000  111.40000
   58    65    74    50.00000  109.50000
   63    58    59    35.00000  109.50000
   73    53    54    35.00000  109.50000
   73    53    57    50.00000  109.50000
   73    63    64    83.00000  123.40000
   65    33    34    37.50000  110.70000
   65    33    38    58.35000  112.70000
   65    45    47    58.35000  112.70000
   65    58    59    37.50000  110.70000
   65    58    63    63.00000  111.10000
   65    74    75    55.00000  108.50000
   60    57    58    70.00000  112.02700
   60    66    67    35.00000  120.00000
   60    66    68    35.00000  120.00000
   60    69    70    35.00000  109.50000
   60    69    71    35.00000  109.50000
   60    69    72    35.00000  109.50000
   68    66    67    35.00000  117.00000
   69    60    66    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   61    57    58    50.00000  109.50000
   61    57    60    90.00000  110.39200
   55    47    48    35.00000  109.50000
   55    47    53    50.00000  109.50000
   49    45    47    58.35000  112.70000
   49    45    65    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    65   0.01700  1.0 1.0
   24    29    33    65  -0.23550 -1.0 2.0
   24    29    33    65   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    65    45   0.44750  1.0 1.0
   29    33    65    45  -0.17800 -1.0 2.0
   29    33    65    45   0.20200  1.0 3.0
   29    33    65    58   0.44750  1.0 1.0
   29    33    65    58  -0.17800 -1.0 2.0
   29    33    65    58   0.20200  1.0 3.0
   29    33    65    74   0.56750  1.0 1.0
   29    33    65    74  -0.07550 -1.0 2.0
   29    33    65    74   0.20000  1.0 3.0
   33    38    41    42   0.07850  1.0 1.0
   33    38    41    42  -0.03950 -1.0 2.0
   33    38    41    42   0.67350  1.0 3.0
   33    38    41    46   0.02550  1.0 1.0
   33    38    41    46  -0.02600 -1.0 2.0
   33    38    41    46   1.20400  1.0 3.0
   33    38   -41    45   0.56750  1.0 1.0
   33    38   -41    45  -0.07550 -1.0 2.0
   33    38   -41    45   0.20000  1.0 3.0
   33    65    74    75  -0.11600  1.0 1.0
   33    65    74    75  -0.09450 -1.0 2.0
   33    65    74    75   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    65    45   0.15000  1.0 3.0
   34    33    65    58   0.15000  1.0 3.0
   34    33    65    74   0.23400  1.0 3.0
   38    33   -65    45   0.56750  1.0 1.0
   38    33   -65    45  -0.07550 -1.0 2.0
   38    33   -65    45   0.20000  1.0 3.0
   38    33    65    58   0.56750  1.0 1.0
   38    33    65    58  -0.07550 -1.0 2.0
   38    33    65    58   0.20000  1.0 3.0
   38    33    65    74   0.86500  1.0 1.0
   38    33    65    74  -0.17500 -1.0 2.0
   38    33    65    74   0.20800  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    44   0.15000  1.0 3.0
   38    41   -42    46   0.02550  1.0 1.0
   38    41   -42    46  -0.02600 -1.0 2.0
   38    41   -42    46   1.20400  1.0 3.0
   38    41   -46    42   0.06250  1.0 1.0
   38    41   -46    42  -0.01100 -1.0 2.0
   38    41   -46    42   0.28050  1.0 3.0
   38    41    45    47   0.56750  1.0 1.0
   38    41    45    47  -0.07550 -1.0 2.0
   38    41    45    47   0.20000  1.0 3.0
   38    41   -45    65   0.56750  1.0 1.0
   38    41   -45    65  -0.07550 -1.0 2.0
   38    41   -45    65   0.20000  1.0 3.0
   38    41    45    49   0.56750  1.0 1.0
   38    41    45    49  -0.07550 -1.0 2.0
   38    41    45    49   0.20000  1.0 3.0
   39    38    41    42  -0.26800  1.0 1.0
   39    38    41    42   0.69150 -1.0 2.0
   39    38    41    42  -0.48750  1.0 3.0
   39    38    41    46   1.11900  1.0 1.0
   39    38    41    46  -1.16350 -1.0 2.0
   39    38    41    46  -0.34150  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    45    47    48   0.15000  1.0 3.0
   41    45    47    53   0.47050  1.0 1.0
   41    45    47    53   0.03900 -1.0 2.0
   41    45    47    53   0.20100  1.0 3.0
   41    45    47    55   0.86500  1.0 1.0
   41    45    47    55  -0.17500 -1.0 2.0
   41    45    47    55   0.20800  1.0 3.0
   41    45   -65    33   0.47050  1.0 1.0
   41    45   -65    33   0.03900 -1.0 2.0
   41    45   -65    33   0.20100  1.0 3.0
   41    45    65    58   0.47050  1.0 1.0
   41    45    65    58   0.03900 -1.0 2.0
   41    45    65    58   0.20100  1.0 3.0
   41    45    65    74   0.86500  1.0 1.0
   41    45    65    74  -0.17500 -1.0 2.0
   41    45    65    74   0.20800  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45    49    52   0.15000  1.0 3.0
   42    41    45    47   0.07850  1.0 1.0
   42    41    45    47  -0.03950 -1.0 2.0
   42    41    45    47   0.67350  1.0 3.0
   42    41    45    65   0.07850  1.0 1.0
   42    41    45    65  -0.03950 -1.0 2.0
   42    41    45    65   0.67350  1.0 3.0
   42    41    45    49   0.07850  1.0 1.0
   42    41    45    49  -0.03950 -1.0 2.0
   42    41    45    49   0.67350  1.0 3.0
   43    42   -46    41   0.36800  1.0 3.0
   44    42   -46    41   0.36800  1.0 3.0
   46    41   -42    43   0.23400  1.0 3.0
   46    41   -42    44   0.23400  1.0 3.0
   46    41    45    47   0.02550  1.0 1.0
   46    41    45    47  -0.02600 -1.0 2.0
   46    41    45    47   1.20400  1.0 3.0
   46    41    45    65   0.02550  1.0 1.0
   46    41    45    65  -0.02600 -1.0 2.0
   46    41    45    65   1.20400  1.0 3.0
   46    41    45    49   0.02550  1.0 1.0
   46    41    45    49  -0.02600 -1.0 2.0
   46    41    45    49   1.20400  1.0 3.0
   45    41    42    43   0.15000  1.0 3.0
   45    41    42    44   0.15000  1.0 3.0
   45    41   -42    46   0.02550  1.0 1.0
   45    41   -42    46  -0.02600 -1.0 2.0
   45    41   -42    46   1.20400  1.0 3.0
   45    41   -46    42   0.06250  1.0 1.0
   45    41   -46    42  -0.01100 -1.0 2.0
   45    41   -46    42   0.28050  1.0 3.0
   45    47    53    54   0.15000  1.0 3.0
   45    47    53    57   0.56750  1.0 1.0
   45    47    53    57  -0.07550 -1.0 2.0
   45    47    53    57   0.20000  1.0 3.0
   45    47    53    73   0.62750  1.0 1.0
   45    47    53    73  -0.30950 -1.0 2.0
   45    47    53    73   0.27300  1.0 3.0
   45    47    55    56  -0.11600  1.0 1.0
   45    47    55    56  -0.09450 -1.0 2.0
   45    47    55    56   0.21250  1.0 3.0
   45    65    74    75  -0.11600  1.0 1.0
   45    65    74    75  -0.09450 -1.0 2.0
   45    65    74    75   0.21250  1.0 3.0
   47    45    65    33   0.56750  1.0 1.0
   47    45    65    33  -0.07550 -1.0 2.0
   47    45    65    33   0.20000  1.0 3.0
   47    45    65    58   0.56750  1.0 1.0
   47    45    65    58  -0.07550 -1.0 2.0
   47    45    65    58   0.20000  1.0 3.0
   47    45    65    74   0.86500  1.0 1.0
   47    45    65    74  -0.17500 -1.0 2.0
   47    45    65    74   0.20800  1.0 3.0
   47    45    49    50   0.15000  1.0 3.0
   47    45    49    51   0.15000  1.0 3.0
   47    45    49    52   0.15000  1.0 3.0
   47    53   -57    58   0.56750  1.0 1.0
   47    53   -57    58  -0.07550 -1.0 2.0
   47    53   -57    58   0.20000  1.0 3.0
   47    53    57    60   0.34400  1.0 1.0
   47    53    57    60   0.09450 -1.0 2.0
   47    53    57    60   0.11100  1.0 3.0
   47    53    57    61   0.86500  1.0 1.0
   47    53    57    61  -0.17500 -1.0 2.0
   47    53    57    61   0.20800  1.0 3.0
   47    53    73    63  -0.25900  1.0 1.0
   47    53    73    63  -0.47000 -1.0 2.0
   47    53    73    63   0.11750  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    57   0.15000  1.0 3.0
   48    47    53    73   0.23400  1.0 3.0
   48    47    55    56   0.19450  1.0 3.0
   53    47    55    56  -0.11600  1.0 1.0
   53    47    55    56  -0.09450 -1.0 2.0
   53    47    55    56   0.21250  1.0 3.0
   53    57    58    59   0.15000  1.0 3.0
   53    57   -58    63  -0.95700  1.0 1.0
   53    57   -58    63  -0.18200 -1.0 2.0
   53    57   -58    63   0.29450  1.0 3.0
   53    57    58    65   0.56750  1.0 1.0
   53    57    58    65  -0.07550 -1.0 2.0
   53    57    58    65   0.20000  1.0 3.0
   53    57    60    66   0.09850  1.0 1.0
   53    57    60    66   0.15250 -1.0 2.0
   53    57    60    66  -0.50650  1.0 3.0
   53    57    60    69   0.46850  1.0 1.0
   53    57    60    69   0.08550 -1.0 2.0
   53    57    60    69   0.09800  1.0 3.0
   53    57    61    62  -0.11600  1.0 1.0
   53    57    61    62  -0.09450 -1.0 2.0
   53    57    61    62   0.21250  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    53    57    61   0.23400  1.0 3.0
   54    53    73    63   0.08050  1.0 3.0
   57    53   -73    63  -0.25900  1.0 1.0
   57    53   -73    63  -0.47000 -1.0 2.0
   57    53   -73    63   0.11750  1.0 3.0
   57    58    63    64   0.30150 -1.0 2.0
   57    58   -63    73   0.36750  1.0 3.0
   57    58    65    33   0.56750  1.0 1.0
   57    58    65    33  -0.07550 -1.0 2.0
   57    58    65    33   0.20000  1.0 3.0
   57    58   -65    45   0.56750  1.0 1.0
   57    58   -65    45  -0.07550 -1.0 2.0
   57    58   -65    45   0.20000  1.0 3.0
   57    58    65    74   0.86500  1.0 1.0
   57    58    65    74  -0.17500 -1.0 2.0
   57    58    65    74   0.20800  1.0 3.0
   57    60    66    67   7.00000 -1.0 2.0
   57    60    66    68   7.00000 -1.0 2.0
   57    60    69    70   0.34800  1.0 3.0
   57    60    69    71   0.34800  1.0 3.0
   57    60    69    72   0.34800  1.0 3.0
   58    57    60    66   0.09850  1.0 1.0
   58    57    60    66   0.15250 -1.0 2.0
   58    57    60    66  -0.50650  1.0 3.0
   58    57    60    69   0.46850  1.0 1.0
   58    57    60    69   0.08550 -1.0 2.0
   58    57    60    69   0.09800  1.0 3.0
   58    57    61    62  -0.11600  1.0 1.0
   58    57    61    62  -0.09450 -1.0 2.0
   58    57    61    62   0.21250  1.0 3.0
   58    63   -73    53   1.63150  1.0 1.0
   58    63   -73    53   2.92000 -1.0 2.0
   58    65    74    75  -0.11600  1.0 1.0
   58    65    74    75  -0.09450 -1.0 2.0
   58    65    74    75   0.21250  1.0 3.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    73   0.00000  1.0 1.0
   59    58    65    33   0.15000  1.0 3.0
   59    58    65    45   0.15000  1.0 3.0
   59    58    65    74   0.23400  1.0 3.0
   63    58    65    33  -0.95700  1.0 1.0
   63    58    65    33  -0.18200 -1.0 2.0
   63    58    65    33   0.29450  1.0 3.0
   63    58    65    45  -0.95700  1.0 1.0
   63    58    65    45  -0.18200 -1.0 2.0
   63    58    65    45   0.29450  1.0 3.0
   63    58    65    74  -0.09450  1.0 1.0
   63    58    65    74  -1.12950 -1.0 2.0
   63    58    65    74   0.54000  1.0 3.0
   64    63    73    53   3.00000 -1.0 2.0
   73    53   -57    58   0.62750  1.0 1.0
   73    53   -57    58  -0.30950 -1.0 2.0
   73    53   -57    58   0.27300  1.0 3.0
   73    53    57    60   0.61850  1.0 1.0
   73    53    57    60  -0.22750 -1.0 2.0
   73    53    57    60   0.15300  1.0 3.0
   73    53    57    61   3.69350  1.0 1.0
   73    53    57    61  -1.82950 -1.0 2.0
   65    33    38    39   0.62750  1.0 1.0
   65    33    38    39  -0.30950 -1.0 2.0
   65    33    38    39   0.27300  1.0 3.0
   65    33    38    40   0.15000  1.0 3.0
   65    33   -38    41   0.47050  1.0 1.0
   65    33   -38    41   0.03900 -1.0 2.0
   65    33   -38    41   0.20100  1.0 3.0
   65    45    47    48   0.15000  1.0 3.0
   65    45   -47    53   0.56750  1.0 1.0
   65    45   -47    53  -0.07550 -1.0 2.0
   65    45   -47    53   0.20000  1.0 3.0
   65    45    47    55   0.86500  1.0 1.0
   65    45    47    55  -0.17500 -1.0 2.0
   65    45    47    55   0.20800  1.0 3.0
   65    45    49    50   0.15000  1.0 3.0
   65    45    49    51   0.15000  1.0 3.0
   65    45    49    52   0.15000  1.0 3.0
   65    58    63    64   0.30150 -1.0 2.0
   65    58    63    73   0.36750  1.0 3.0
   60    57    58    59   0.15000  1.0 3.0
   60    57    58    63  -0.98800  1.0 1.0
   60    57    58    63   0.48800 -1.0 2.0
   60    57    58    63   0.76800  1.0 3.0
   60    57    58    65   0.34400  1.0 1.0
   60    57    58    65   0.09450 -1.0 2.0
   60    57    58    65   0.11100  1.0 3.0
   60    57    61    62  -0.07800  1.0 1.0
   60    57    61    62  -0.21500 -1.0 2.0
   60    57    61    62  -0.03150  1.0 3.0
   66    60    69    70   0.00000  1.0 1.0
   66    60    69    71   0.00000  1.0 1.0
   66    60    69    72   0.00000  1.0 1.0
   69    60    66    67   7.00000 -1.0 2.0
   69    60    66    68   7.00000 -1.0 2.0
   61    57    58    59   0.23400  1.0 3.0
   61    57    58    63  -0.09450  1.0 1.0
   61    57    58    63  -1.12950 -1.0 2.0
   61    57    58    63   0.54000  1.0 3.0
   61    57    58    65   0.86500  1.0 1.0
   61    57    58    65  -0.17500 -1.0 2.0
   61    57    58    65   0.20800  1.0 3.0
   61    57    60    66   0.67800  1.0 1.0
   61    57    60    66   0.47050 -1.0 2.0
   61    57    60    66  -0.62500  1.0 3.0
   61    57    60    69   0.18000  1.0 1.0
   61    57    60    69   0.16450 -1.0 2.0
   61    57    60    69   0.04450  1.0 3.0
   55    47    53    54   0.23400  1.0 3.0
   55    47    53    57   0.86500  1.0 1.0
   55    47    53    57  -0.17500 -1.0 2.0
   55    47    53    57   0.20800  1.0 3.0
   55    47    53    73   3.69350  1.0 1.0
   55    47    53    73  -1.82950 -1.0 2.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    53   0.56750  1.0 1.0
   49    45    47    53  -0.07550 -1.0 2.0
   49    45    47    53   0.20000  1.0 3.0
   49    45    47    55   0.86500  1.0 1.0
   49    45    47    55  -0.17500 -1.0 2.0
   49    45    47    55   0.20800  1.0 3.0
   49    45    65    33   0.56750  1.0 1.0
   49    45    65    33  -0.07550 -1.0 2.0
   49    45    65    33   0.20000  1.0 3.0
   49    45    65    58   0.56750  1.0 1.0
   49    45    65    58  -0.07550 -1.0 2.0
   49    45    65    58   0.20000  1.0 3.0
   49    45    65    74   0.86500  1.0 1.0
   49    45    65    74  -0.17500 -1.0 2.0
   49    45    65    74   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   58    73    63    64  10.50000 -1.0 2.0
   57    69    60    66  15.00000 -1.0 2.0
   67    68    66    60  15.00000 -1.0 2.0
END
