* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    134    182     381
    1     0 S   NP   _N1_     1    30.24143    92.66948   -18.10040
    2     1 S   H    _HN1     2     1.02737    84.48969   -30.57206
    3     1 S   H    _H1_     3     1.03580   137.93557    78.51979
    4     1 S   H    _H2_     4     1.02752    33.00658   105.89188
    5     1 S   CT   _CA1     5     1.50106   101.44699  -141.91413
    6     5 S   HC   _HA1     6     1.09551   105.34856    36.29478
    7     5 S   CO3  _C1_     7     1.53843   112.62166   -84.29653
    8     7 S   O2Z  _O11     8     1.26384   115.37827   -49.23690
    9     7 S   O2Z  _O12     9     1.26293   114.77657   129.89258
   10     5 S   CT   _CB1    10     1.52805   106.93959   154.45759
   11    10 S   HC   HB11    11     1.09865   109.76162   -47.55540
   12    10 S   HC   HB12    12     1.09706   109.80320    68.47198
   13    10 S   CT   _CG1    13     1.52928   113.56857  -169.03599
   14    13 S   HC   HG11    14     1.09532   111.58285   -57.36687
   15    13 S   HC   HG12    15     1.09542   110.90817    62.52813
   16    13 S   C    _CD1    16     1.51400   108.70379  -177.93834
   17    16 S   O    _OE1    17     1.22789   121.94010   -96.22205
   18    16 S   N    _N2_    18     1.38458   112.49051    81.07136
   19    18 S   H    _HN2    19     1.01581   119.11057     7.73665
   20    18 S   CT1  _CA2    20     1.46187   123.61691  -170.74186
   21    20 S   HC   _HA2    21     1.09743   108.83164    11.48003
   22    20 S   C    _C2_    22     1.53570   110.26703  -104.73176
   23    22 S   O    _O2_    23     1.23090   122.02955  -153.70670
   24    20 S   CT   _CB2    32     1.53735   110.83107   132.35662
   25    24 S   HC   HB21    33     1.09523   109.39402    61.06804
   26    24 S   HC   HB22    34     1.09395   110.24208  -179.72660
   27    22 S   N    _N3_    24     1.38304   114.35068    33.94690
   28    27 S   H    _HN3    25     1.01539   119.77099    -3.73082
   29    24 S   S    _SG2    35     1.82976   111.66834   -59.00863
   30    27 S   CT   _CA3    26     1.45318   122.85411   176.80396
   31    30 S   HC   HA31    27     1.09562   107.57324   -61.88079
   32    30 S   HC   HA32    28     1.09566   107.84492    54.44924
   33    29 S   CT   _C7_    36     1.85107    99.92681   171.11133
   34    33 S   HC   _H6_    37     1.09511   106.66713   -40.60350
   35    30 S   CO3  _C3_    29     1.52887   114.36331   176.41734
   36    35 S   O2Z  _O31    30     1.26328   116.14350    -0.48618
   37    35 S   O2Z  _O32    31     1.26458   114.38530   179.54243
   38    33 S   CT   _C6_    38     1.54941   107.73391  -156.64831
   39    38 S   HC   _H5_    39     1.09866   110.15267   -44.42502
   40    38 S   CT   _C5_    40     1.54015   112.05266  -164.30231
   41    40 S   HC   _H4_    41     1.09598   108.35401   179.35867
   42    38 S   OS   _O44    69     1.43159   109.33158    74.39405
   43    40 S   CT   _C4_    42     1.54191   111.91445    56.67626
   44    43 S   HC   _H3_    43     1.09684   111.45134  -133.82850
   45    40 S   OS   _O48    64     1.43281   109.61554   -63.28576
   46    42 S   P2   _P4_    70     1.63162   119.22715  -138.09785
   47    46 S   O2Z  _O47    71     1.51044   110.35745   -63.22719
   48    46 S   O2Z  _O45    72     1.51285   109.79664    71.47926
   49    43 S   CT   _C9_    44     1.53709   112.75475   -10.37267
   50    49 S   HC   _H8_    45     1.09703   109.60122    73.95519
   51    43 S   OH   _O52    62     1.43163   108.38020   109.82110
   52    51 S   HO   _H10    63     0.97433   106.22643    64.57491
   53    45 S   P3   _P5_    65     1.65404   118.37976  -142.23418
   54    53 S   O2Z  _O50    66     1.52496   103.92217  -170.21471
   55    53 S   O2Z  _O51    67     1.52494   104.55418    70.24755
   56    53 S   O2Z  _O49    68     1.52674   105.05178   -50.13579
   57    46 S   OS   _O46    73     1.63010    98.60488  -176.61922
   58    57 S   HO   _H9_    74     0.98381   116.85112   -79.04138
   59    33 S   CT   _C8_    46     1.54655   109.76435    80.18692
   60    59 S   HC   _H7_    47     1.09487   112.64384   -16.58918
   61    49 S   OS   _O33    57     1.43155   109.03693  -168.11743
   62    59 S   OS   _O37    48     1.43766   109.09878  -135.05330
   63    61 S   P3   _P1_    58     1.65156   119.04801  -129.21639
   64    63 S   O2Z  _O35    59     1.52556   103.83354  -176.87187
   65    63 S   O2Z  _O36    60     1.52572   104.82253    63.53466
   66    63 S   O2Z  _O34    61     1.52567   104.83414   -56.88806
   67    62 S   P2   _P2_    49     1.63794   119.90910    87.90938
   68    67 S   O2Z  _O39    50     1.51341   108.39854   -79.45403
   69    67 S   O2Z  _O38    51     1.51338   108.90833    53.58383
   70    67 S   OS   _O40    52     1.62980    98.35581   167.21741
   71    70 S   P3   _P3_    53     1.64422   131.40842  -179.53522
   72    71 S   O2Z  _O42    54     1.52666   103.87396   179.97202
   73    71 S   O2Z  _O43    55     1.52494   104.96923    60.37556
   74    71 S   O2Z  _O41    56     1.52499   104.95029   -60.32618
  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  17   7  16   7   8  12   7   6   4   3   2
  12   6   3   1   3   2   1   1   1   1   8   3   5   5   3   2
   1   1   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    59    60    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    59    60    62    67    61    45    42    46  
   38    39    40    49    59    60    62    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    59    60    62    51    45    53    42    46    47    48    57  
   40    41    43    59    45    42    46  
   41    43    44    49    50    59    61    51    52    45    53    54    55    56    42    46  
   43    44    49    51    45    53    42  
   46    47    48    57    58    43    45    59  
   44    49    50    59    60    62    61    63    51    52    45    53  
   49    50    59    61    51    52    45  
   53    54    55    56    49    51  
   47    48    57    58  
   48    57    58  
   57    58  
   50    59    60    62    67    61    63    64    65    66    51    52  
   59    60    62    61    63    51  
   52    59    61  
    0  
   54    55    56  
   55    56  
   56  
    0  
   58  
    0  
   60    62    67    68    69    70    61    63  
   62    67    61  
   63    64    65    66    62  
   67    68    69    70    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   0.140000   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   54   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   55   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   57   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   62   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   67   3.7400   0.2000   1.331700   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   69   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.494300   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7400   0.2000   1.872500   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   74   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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    59   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    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    59   268.000  1.529
   49    61   320.000  1.410
   59    60   340.000  1.090
   59    62   320.000  1.410
   62    67   230.000  1.697
   67    68   525.000  1.480
   67    69   525.000  1.480
   67    70   230.000  1.697
   70    71   230.000  1.630
   71    72   525.000  1.516
   71    73   525.000  1.516
   71    74   525.000  1.516
   61    63   230.000  1.630
   63    64   525.000  1.516
   63    65   525.000  1.516
   63    66   525.000  1.516
   51    52   553.000  0.945
   45    53   230.000  1.630
   53    54   525.000  1.516
   53    55   525.000  1.516
   53    56   525.000  1.516
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    57   230.000  1.697
   57    58   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    59    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    59    49    58.35000  112.70000
   33    59    60    37.50000  110.70000
   33    59    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    53    80.00000  112.68000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    59    58.35000  112.70000
   43    49    61    50.00000  109.50000
   43    51    52    55.00000  108.50000
   49    43    44    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    62    50.00000  109.50000
   49    61    63    80.00000  112.68000
   59    33    34    37.50000  110.70000
   59    33    38    58.35000  112.70000
   59    49    50    37.50000  110.70000
   59    62    67   100.00000  120.50000
   62    59    60    35.00000  109.50000
   62    67    68   100.00000  108.23000
   62    67    69   100.00000  108.23000
   62    67    70    45.00000  102.60000
   67    70    71    45.00000  143.19000
   69    67    68   140.00000  119.90000
   70    67    68   100.00000  108.23000
   70    67    69   100.00000  108.23000
   70    71    72   100.00000  107.00000
   70    71    73   100.00000  107.00000
   70    71    74   100.00000  107.00000
   73    71    72   140.00000  114.00000
   74    71    72   140.00000  114.00000
   74    71    73   140.00000  114.00000
   61    49    50    35.00000  109.50000
   61    49    59    50.00000  109.50000
   61    63    64   100.00000  107.00000
   61    63    65   100.00000  107.00000
   61    63    66   100.00000  107.00000
   65    63    64   140.00000  114.00000
   66    63    64   140.00000  114.00000
   66    63    65   140.00000  114.00000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    53    54   100.00000  107.00000
   45    53    55   100.00000  107.00000
   45    53    56   100.00000  107.00000
   55    53    54   140.00000  114.00000
   56    53    54   140.00000  114.00000
   56    53    55   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  108.23000
   42    46    48   100.00000  108.23000
   42    46    57    45.00000  102.60000
   46    57    58    45.00000  108.50000
   48    46    47   140.00000  119.90000
   57    46    47   100.00000  108.23000
   57    46    48   100.00000  108.23000
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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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    59    49   0.44750  1.0 1.0
   29    33    59    49  -0.17800 -1.0 2.0
   29    33    59    49   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    62   0.56750  1.0 1.0
   29    33    59    62  -0.07550 -1.0 2.0
   29    33    59    62   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    59    62    67  -2.65550  1.0 1.0
   33    59    62    67  -0.22350 -1.0 2.0
   33    59    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    59    49   0.15000  1.0 3.0
   34    33    59    60   0.15000  1.0 3.0
   34    33    59    62   0.23400  1.0 3.0
   38    33    59    49   0.56750  1.0 1.0
   38    33    59    49  -0.07550 -1.0 2.0
   38    33    59    49   0.20000  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    62   0.62750  1.0 1.0
   38    33    59    62  -0.30950 -1.0 2.0
   38    33    59    62   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.86500  1.0 1.0
   38    40    43    51  -0.17500 -1.0 2.0
   38    40    43    51   0.20800  1.0 3.0
   38    40    45    53  -2.65550  1.0 1.0
   38    40    45    53  -0.22350 -1.0 2.0
   38    40    45    53   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    57   0.05050  1.0 1.0
   38    42    46    57  -1.30700 -1.0 2.0
   38    42    46    57   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    59   0.56750  1.0 1.0
   40    43    49    59  -0.07550 -1.0 2.0
   40    43    49    59   0.20000  1.0 3.0
   40    43    49    61   0.62750  1.0 1.0
   40    43    49    61  -0.30950 -1.0 2.0
   40    43    49    61   0.27300  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   40    45    53    54   0.00000  1.0 1.0
   40    45    53    55   0.00000  1.0 1.0
   40    45    53    56   0.00000  1.0 1.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    53   0.03000  1.0 3.0
   43    40    45    53  -2.65550  1.0 1.0
   43    40    45    53  -0.22350 -1.0 2.0
   43    40    45    53   0.24150  1.0 3.0
   43    49   -59    33   0.56750  1.0 1.0
   43    49   -59    33  -0.07550 -1.0 2.0
   43    49   -59    33   0.20000  1.0 3.0
   43    49    59    60   0.15000  1.0 3.0
   43    49    59    62   0.62750  1.0 1.0
   43    49    59    62  -0.30950 -1.0 2.0
   43    49    59    62   0.27300  1.0 3.0
   43    49    61    63  -2.65550  1.0 1.0
   43    49    61    63  -0.22350 -1.0 2.0
   43    49    61    63   0.24150  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    59   0.15000  1.0 3.0
   44    43    49    61   0.23400  1.0 3.0
   44    43    51    52   0.19450  1.0 3.0
   49    43    51    52  -0.11600  1.0 1.0
   49    43    51    52  -0.09450 -1.0 2.0
   49    43    51    52   0.21250  1.0 3.0
   49    59    62    67  -2.65550  1.0 1.0
   49    59    62    67  -0.22350 -1.0 2.0
   49    59    62    67   0.24150  1.0 3.0
   49    61    63    64   0.00000  1.0 1.0
   49    61    63    65   0.00000  1.0 1.0
   49    61    63    66   0.00000  1.0 1.0
   50    49    59    33   0.15000  1.0 3.0
   50    49    59    60   0.15000  1.0 3.0
   50    49    59    62   0.23400  1.0 3.0
   50    49    61    63   0.03000  1.0 3.0
   59    33    38    39   0.15000  1.0 3.0
   59    33   -38    40   0.56750  1.0 1.0
   59    33   -38    40  -0.07550 -1.0 2.0
   59    33   -38    40   0.20000  1.0 3.0
   59    33    38    42   0.62750  1.0 1.0
   59    33    38    42  -0.30950 -1.0 2.0
   59    33    38    42   0.27300  1.0 3.0
   59    49    61    63  -2.65550  1.0 1.0
   59    49    61    63  -0.22350 -1.0 2.0
   59    49    61    63   0.24150  1.0 3.0
   59    62    67    68   0.00000  1.0 1.0
   59    62    67    69   0.00000  1.0 1.0
   59    62    67    70   0.05050  1.0 1.0
   59    62    67    70  -1.30700 -1.0 2.0
   59    62    67    70   0.91550  1.0 3.0
   60    59    62    67   0.03000  1.0 3.0
   62    67    70    71   0.15000  1.0 3.0
   67    70    71    72   0.50000  1.0 3.0
   67    70    71    73   0.50000  1.0 3.0
   67    70    71    74   0.50000  1.0 3.0
   68    67    70    71   0.50000  1.0 3.0
   69    67    70    71   0.50000  1.0 3.0
   61    49    59    33   0.62750  1.0 1.0
   61    49    59    33  -0.30950 -1.0 2.0
   61    49    59    33   0.27300  1.0 3.0
   61    49    59    60   0.23400  1.0 3.0
   61    49    59    62   1.11900  1.0 1.0
   61    49    59    62  -1.16350 -1.0 2.0
   61    49    59    62  -0.34150  1.0 3.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    59   0.86500  1.0 1.0
   51    43    49    59  -0.17500 -1.0 2.0
   51    43    49    59   0.20800  1.0 3.0
   51    43    49    61   3.69350  1.0 1.0
   51    43    49    61  -1.82950 -1.0 2.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.62750  1.0 1.0
   45    40    43    49  -0.30950 -1.0 2.0
   45    40    43    49   0.27300  1.0 3.0
   45    40    43    51   3.69350  1.0 1.0
   45    40    43    51  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    57    58   0.00000  1.0 1.0
   47    46    57    58   0.00000  1.0 1.0
   48    46    57    58   0.00000  1.0 1.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
END
