* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    126    188     377
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02093    95.61834   -59.12029
    3     1 S   H    _H1_     3     1.02058    84.31445    49.18456
    4     1 S   H    _H2_     4     1.02128    34.09143  -174.48211
    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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C9_    36     1.83204    97.57825   -78.14138
   34    33 S   HC   _H3_    37     1.13232   104.23886    36.39631
   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   _C7_    38     1.54555   111.80546   -80.04961
   39    38 S   HC   _H28    39     1.10807   110.51109    41.79392
   40    38 S   CT   _C6_    40     1.53954   115.24345   -81.82359
   41    40 S   HC   _H27    41     1.13211   108.82689  -167.16290
   42    38 S   OH   _O33    71     1.43250   108.42726   157.68500
   43    42 S   HO   _H32    72     0.96891   106.26389  -174.81995
   44    40 S   CT   _C5_    42     1.53756   113.44762   -45.73249
   45    44 S   HC   _H26    43     1.10138   109.59912   171.24478
   46    40 S   OS   _O19    64     1.42465   109.75905    78.97842
   47    44 S   CT   _C4_    44     1.53470   111.71222    49.50838
   48    47 S   HC   _H25    45     1.12000   109.65102    68.74293
   49    44 S   OS   _O18    57     1.42696   109.55984   -72.08430
   50    46 S   P1   _P23    65     1.61245   118.07791   153.82673
   51    50 S   O2Z  _O8_    66     1.50131   115.19004    59.96788
   52    33 S   CT   _C8_    46     1.54072   111.29059   152.57566
   53    52 S   HC   _H29    47     1.10140   110.17985   -42.99049
   54    47 S   OH   _O10    55     1.42764   110.12182  -176.49960
   55    54 S   HO   _H31    56     0.96801   106.20334   -59.95530
   56    49 S   P1   _P22    58     1.61443   118.19254   -77.13152
   57    56 S   O2Z  _O7_    59     1.50005   115.16326   -39.97177
   58    50 S   OS   _O14    67     1.61723   103.85962   -67.06959
   59    58 S   HO   _H35    68     0.98082   118.90859  -172.95605
   60    50 S   OS   _O15    69     1.61629   102.49958  -174.38218
   61    60 S   HO   _H36    70     0.98160   118.97371   174.25837
   62    52 S   OS   _O20    48     1.43175   108.74862  -160.20380
   63    56 S   OS   _O34    60     1.61692   103.82290  -166.98487
   64    63 S   HO   _H33    61     0.98082   118.90618  -173.02518
   65    56 S   OS   _O13    62     1.61771   102.58827    85.69169
   66    65 S   HO   _H34    63     0.98058   118.93715   174.18078
   67    62 S   P1   _P24    49     1.61420   118.18522    76.85658
   68    67 S   O2Z  _O9_    50     1.50103   115.13343    39.99430
   69    67 S   OS   _O16    51     1.61707   103.83015   -87.02574
   70    69 S   HO   _H37    52     0.98137   118.92813  -173.08588
   71    67 S   OS   _O17    53     1.61733   102.63013   165.62290
   72    71 S   HO   _H38    54     0.98092   118.97820   174.22151
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  14   7  16   7   4   1  15   7   8   9   6
   8   5   4   8   3   2   1   5   4   3   1   1   1   6   3   1
   1   1   5   4   3   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    52    53    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    52    53    62    67    54    46    42    43  
   38    39    40    47    52    53    62    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    52    53    62    49    46    50    42    43  
   40    41    44    52    46    42    43  
   41    44    45    47    48    52    54    49    56    46    50    51    58    60    42    43  
   44    45    47    49    46    50    42  
   43    44    46    52  
    0  
   45    47    48    52    53    62    54    55    49    56    57    63    65    46    50  
   47    48    52    54    49    56    46  
   50    51    58    59    60    61    47    49  
   48    52    53    62    67    54    55    49    56  
   52    53    62    54    55    49  
   56    57    63    64    65    66    52    54  
   51    58    59    60    61  
   58    59    60    61  
   53    62    67    68    69    71    54    55  
   62    67    54  
   55    62  
    0  
   57    63    64    65    66  
   63    64    65    66  
   59    60    61  
   60  
   61  
    0  
   67    68    69    70    71    72  
   64    65    66  
   65  
   66  
    0  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72  
   71  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.461100   1.7660   1.5600   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   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   50   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   52   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   57   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   58   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   60   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   62   2.8500   0.1400  -0.461100   1.5900   1.4000   0.020110767  -0.896042159
   63   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   69   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.380000   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    52   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    54   320.000  1.410
   52    53   340.000  1.090
   52    62   320.000  1.410
   62    67   405.000  1.623
   67    68   675.000  1.490
   67    69   405.000  1.623
   67    71   405.000  1.623
   69    70   553.000  0.945
   71    72   553.000  0.945
   54    55   553.000  0.945
   49    56   405.000  1.623
   56    57   675.000  1.490
   56    63   405.000  1.623
   56    65   405.000  1.623
   63    64   553.000  0.945
   65    66   553.000  0.945
   46    50   405.000  1.623
   50    51   675.000  1.490
   50    58   405.000  1.623
   50    60   405.000  1.623
   58    59   553.000  0.945
   60    61   553.000  0.945
   42    43   553.000  0.945
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    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    50    75.00000  119.24600
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    52    58.35000  112.70000
   44    47    54    50.00000  109.50000
   44    49    56    75.00000  119.24600
   47    44    45    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    62    50.00000  109.50000
   47    54    55    55.00000  108.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    62    67    75.00000  119.24600
   62    52    53    35.00000  109.50000
   62    67    68   100.00000  115.86100
   62    67    69   120.00000  102.38000
   62    67    71   120.00000  102.38000
   67    69    70    50.00000  113.86100
   67    71    72    50.00000  113.86100
   69    67    68   100.00000  115.86100
   71    67    68   100.00000  115.86100
   71    67    69   120.00000  102.38000
   54    47    48    35.00000  109.50000
   54    47    52    50.00000  109.50000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   49    56    57   100.00000  115.86100
   49    56    63   120.00000  102.38000
   49    56    65   120.00000  102.38000
   56    63    64    50.00000  113.86100
   56    65    66    50.00000  113.86100
   63    56    57   100.00000  115.86100
   65    56    57   100.00000  115.86100
   65    56    63   120.00000  102.38000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    50    51   100.00000  115.86100
   46    50    58   120.00000  102.38000
   46    50    60   120.00000  102.38000
   50    58    59    50.00000  113.86100
   50    60    61    50.00000  113.86100
   58    50    51   100.00000  115.86100
   60    50    51   100.00000  115.86100
   60    50    58   120.00000  102.38000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    62   0.56750  1.0 1.0
   29    33    52    62  -0.07550 -1.0 2.0
   29    33    52    62   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    52    62    67  -2.65550  1.0 1.0
   33    52    62    67  -0.22350 -1.0 2.0
   33    52    62    67   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    52    47   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    62   0.23400  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    62   0.62750  1.0 1.0
   38    33    52    62  -0.30950 -1.0 2.0
   38    33    52    62   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.62750  1.0 1.0
   38    40    44    49  -0.30950 -1.0 2.0
   38    40    44    49   0.27300  1.0 3.0
   38    40    46    50  -2.65550  1.0 1.0
   38    40    46    50  -0.22350 -1.0 2.0
   38    40    46    50   0.24150  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    52   0.56750  1.0 1.0
   40    44    47    52  -0.07550 -1.0 2.0
   40    44    47    52   0.20000  1.0 3.0
   40    44    47    54   0.86500  1.0 1.0
   40    44    47    54  -0.17500 -1.0 2.0
   40    44    47    54   0.20800  1.0 3.0
   40    44    49    56  -2.65550  1.0 1.0
   40    44    49    56  -0.22350 -1.0 2.0
   40    44    49    56   0.24150  1.0 3.0
   40    46    50    51   0.00000  1.0 1.0
   40    46    50    58   0.91800  1.0 1.0
   40    46    50    58   0.22900 -1.0 2.0
   40    46    50    58   0.32050  1.0 3.0
   40    46    50    60   0.91800  1.0 1.0
   40    46    50    60   0.22900 -1.0 2.0
   40    46    50    60   0.32050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    50   0.03000  1.0 3.0
   44    40    46    50  -2.65550  1.0 1.0
   44    40    46    50  -0.22350 -1.0 2.0
   44    40    46    50   0.24150  1.0 3.0
   44    47   -52    33   0.56750  1.0 1.0
   44    47   -52    33  -0.07550 -1.0 2.0
   44    47   -52    33   0.20000  1.0 3.0
   44    47    52    53   0.15000  1.0 3.0
   44    47    52    62   0.62750  1.0 1.0
   44    47    52    62  -0.30950 -1.0 2.0
   44    47    52    62   0.27300  1.0 3.0
   44    47    54    55  -0.11600  1.0 1.0
   44    47    54    55  -0.09450 -1.0 2.0
   44    47    54    55   0.21250  1.0 3.0
   44    49    56    57   0.00000  1.0 1.0
   44    49    56    63   0.91800  1.0 1.0
   44    49    56    63   0.22900 -1.0 2.0
   44    49    56    63   0.32050  1.0 3.0
   44    49    56    65   0.91800  1.0 1.0
   44    49    56    65   0.22900 -1.0 2.0
   44    49    56    65   0.32050  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    52   0.15000  1.0 3.0
   45    44    47    54   0.23400  1.0 3.0
   45    44    49    56   0.03000  1.0 3.0
   47    44    49    56  -2.65550  1.0 1.0
   47    44    49    56  -0.22350 -1.0 2.0
   47    44    49    56   0.24150  1.0 3.0
   47    52    62    67  -2.65550  1.0 1.0
   47    52    62    67  -0.22350 -1.0 2.0
   47    52    62    67   0.24150  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    62   0.23400  1.0 3.0
   48    47    54    55   0.19450  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.56750  1.0 1.0
   52    33   -38    40  -0.07550 -1.0 2.0
   52    33   -38    40   0.20000  1.0 3.0
   52    33    38    42   0.86500  1.0 1.0
   52    33    38    42  -0.17500 -1.0 2.0
   52    33    38    42   0.20800  1.0 3.0
   52    47    54    55  -0.11600  1.0 1.0
   52    47    54    55  -0.09450 -1.0 2.0
   52    47    54    55   0.21250  1.0 3.0
   52    62    67    68   0.00000  1.0 1.0
   52    62    67    69   0.91800  1.0 1.0
   52    62    67    69   0.22900 -1.0 2.0
   52    62    67    69   0.32050  1.0 3.0
   52    62    67    71   0.91800  1.0 1.0
   52    62    67    71   0.22900 -1.0 2.0
   52    62    67    71   0.32050  1.0 3.0
   53    52    62    67   0.03000  1.0 3.0
   62    67    69    70  -0.22900  1.0 1.0
   62    67    69    70   0.09450 -1.0 2.0
   62    67    69    70  -0.07800  1.0 3.0
   62    67    71    72  -0.22900  1.0 1.0
   62    67    71    72   0.09450 -1.0 2.0
   62    67    71    72  -0.07800  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    71    72   0.00000  1.0 1.0
   69    67    71    72  -0.22900  1.0 1.0
   69    67    71    72   0.09450 -1.0 2.0
   69    67    71    72  -0.07800  1.0 3.0
   71    67    69    70  -0.22900  1.0 1.0
   71    67    69    70   0.09450 -1.0 2.0
   71    67    69    70  -0.07800  1.0 3.0
   54    47    52    33   0.86500  1.0 1.0
   54    47    52    33  -0.17500 -1.0 2.0
   54    47    52    33   0.20800  1.0 3.0
   54    47    52    53   0.23400  1.0 3.0
   54    47    52    62   3.69350  1.0 1.0
   54    47    52    62  -1.82950 -1.0 2.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    52   0.62750  1.0 1.0
   49    44    47    52  -0.30950 -1.0 2.0
   49    44    47    52   0.27300  1.0 3.0
   49    44    47    54   3.69350  1.0 1.0
   49    44    47    54  -1.82950 -1.0 2.0
   49    56    63    64  -0.22900  1.0 1.0
   49    56    63    64   0.09450 -1.0 2.0
   49    56    63    64  -0.07800  1.0 3.0
   49    56    65    66  -0.22900  1.0 1.0
   49    56    65    66   0.09450 -1.0 2.0
   49    56    65    66  -0.07800  1.0 3.0
   57    56    63    64   0.00000  1.0 1.0
   57    56    65    66   0.00000  1.0 1.0
   63    56    65    66  -0.22900  1.0 1.0
   63    56    65    66   0.09450 -1.0 2.0
   63    56    65    66  -0.07800  1.0 3.0
   65    56    63    64  -0.22900  1.0 1.0
   65    56    63    64   0.09450 -1.0 2.0
   65    56    63    64  -0.07800  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   1.11900  1.0 1.0
   46    40    44    49  -1.16350 -1.0 2.0
   46    40    44    49  -0.34150  1.0 3.0
   46    50    58    59  -0.22900  1.0 1.0
   46    50    58    59   0.09450 -1.0 2.0
   46    50    58    59  -0.07800  1.0 3.0
   46    50    60    61  -0.22900  1.0 1.0
   46    50    60    61   0.09450 -1.0 2.0
   46    50    60    61  -0.07800  1.0 3.0
   51    50    58    59   0.00000  1.0 1.0
   51    50    60    61   0.00000  1.0 1.0
   58    50    60    61  -0.22900  1.0 1.0
   58    50    60    61   0.09450 -1.0 2.0
   58    50    60    61  -0.07800  1.0 3.0
   60    50    58    59  -0.22900  1.0 1.0
   60    50    58    59   0.09450 -1.0 2.0
   60    50    58    59  -0.07800  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -1.0 2.0
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
END
