* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    126    173     359
    1     0 S   NP   _N1_     1    33.35929    98.81460   -18.13364
    2     1 S   H    _HN1     2     1.02822    99.77738   129.46216
    3     1 S   H    _H1_     3     1.03487   126.82127     9.88947
    4     1 S   H    _H2_     4     1.03453   109.04624  -118.73465
    5     1 S   CT   _CA1     5     1.49942    13.81350   -15.05026
    6     5 S   HC   _HA1     6     1.09717   105.27823    99.92186
    7     5 S   CO3  _C1_     7     1.54583   111.96432   -14.94677
    8     7 S   O2Z  _O11     8     1.26665   114.12772    46.41268
    9     7 S   O2Z  _O12     9     1.26147   116.81497  -134.22263
   10     5 S   CT   _CB1    10     1.53438   108.34956  -142.95483
   11    10 S   HC   HB11    11     1.09794   109.52094    50.75225
   12    10 S   HC   HB12    12     1.09725   109.98138   166.33941
   13    10 S   CT   _CG1    13     1.53233   113.35113   -74.09449
   14    13 S   HC   HG11    14     1.09649   110.18281  -103.06612
   15    13 S   HC   HG12    15     1.09482   112.02144    14.83224
   16    13 S   C    _CD1    16     1.51449   110.80710   137.59665
   17    16 S   O    _OE1    17     1.22820   122.09826    80.33975
   18    16 S   N    _N2_    18     1.37933   112.38334   -98.11586
   19    18 S   H    _HN2    19     1.02047   118.88210     1.71098
   20    18 S   CT1  _CA2    20     1.45769   124.36760   178.05851
   21    20 S   HC   _HA2    21     1.09702   108.61227    25.30385
   22    20 S   C    _C2_    22     1.53056   108.94584   -91.23199
   23    22 S   O    _O2_    23     1.23165   120.87773   151.46460
   24    20 S   CT   _CB2    32     1.53380   111.32847   148.09115
   25    24 S   HC   HB21    33     1.09205   110.72777    61.11425
   26    24 S   HC   HB22    34     1.09549   110.10269   178.99673
   27    22 S   N    _N3_    24     1.38323   114.57357   -35.58130
   28    27 S   H    _HN3    25     1.01926   119.09520    -1.69697
   29    24 S   S    _SG2    35     1.82493   110.46581   -61.96862
   30    27 S   CT   _CA3    26     1.45306   123.54108  -178.11166
   31    30 S   HC   HA31    27     1.09536   109.10135   -26.68266
   32    30 S   HC   HA32    28     1.09535   106.72937    90.00216
   33    29 S   CT   _C8_    36     1.85897   101.20350   139.82575
   34    33 S   HC   _H7_    37     1.09780   105.26602    47.09580
   35    30 S   CO3  _C3_    29     1.53039   114.58633  -149.36985
   36    35 S   O2Z  _O31    30     1.26337   116.55058     1.48806
   37    35 S   O2Z  _O32    31     1.26551   114.19578  -178.89606
   38    33 S   CT   _C9_    38     1.54407   107.28409   162.08626
   39    38 S   HC   _H8_    39     1.09793   110.08726    50.84883
   40    38 S   CT   _C4_    40     1.54364   113.29110   173.91759
   41    40 S   HC   _H3_    41     1.09622   110.77476    97.26819
   42    38 S   OS   _O33    65     1.43837   108.09864   -67.65862
   43    40 S   CT   _C5_    42     1.53711   113.53259   -25.29207
   44    43 S   HC   _H4_    43     1.09760   108.18596    86.03333
   45    40 S   OH   _O49    63     1.43425   107.85959  -147.70125
   46    45 S   HO   _H9_    64     0.97727   106.67079   -55.98679
   47    42 S   P3   _P1_    66     1.64857   120.64474   141.10634
   48    47 S   O2Z  _O35    67     1.52580   103.42707   179.13543
   49    47 S   O2Z  _O36    68     1.52501   104.87898    59.57824
   50    47 S   O2Z  _O34    69     1.52459   105.02897   -61.25176
   51    43 S   CT   _C6_    44     1.53773   111.95886   -32.01799
   52    51 S   HC   _H5_    45     1.09444   108.86669  -172.00704
   53    43 S   OS   _O45    58     1.42847   110.81792  -155.89124
   54    33 S   CT   _C7_    46     1.55825   110.66590   -72.35267
   55    54 S   HC   _H6_    47     1.09312   110.55973   -14.52848
   56    51 S   OS   _O41    53     1.43101   109.82031   -52.97985
   57    53 S   P3   _P4_    59     1.65134   119.61286   -95.54238
   58    57 S   O2Z  _O47    60     1.52627   103.87352   175.92340
   59    57 S   O2Z  _O48    61     1.52570   105.23857    56.10988
   60    57 S   O2Z  _O46    62     1.52559   104.76170   -64.42345
   61    54 S   OS   _O37    48     1.43665   105.81507   103.45026
   62    56 S   P3   _P3_    54     1.64978   120.72234  -144.59296
   63    62 S   O2Z  _O43    55     1.52662   103.61854  -178.23608
   64    62 S   O2Z  _O44    56     1.52490   105.05201    62.23504
   65    62 S   O2Z  _O42    57     1.52510   105.32539   -58.85815
   66    61 S   P3   _P2_    49     1.64676   121.94911  -143.90026
   67    66 S   O2Z  _O39    50     1.52540   103.34619   167.53550
   68    66 S   O2Z  _O40    51     1.52370   105.43759    48.22863
   69    66 S   O2Z  _O38    52     1.52201   105.40619   -72.61939
  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  13   7   7  15   7   3   1   3   2
   1   1  12   6   6   8   3   5   3   2   1   1   4   3   2   1
   1   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    54    55    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    51    52    54    55    61    66    56    45    42    47  
   38    39    40    51    54    55    61    42  
   36    37  
   37  
    0  
   39    40    41    43    44    51    54    55    61    53    45    46    42    47    48    49    50  
   40    41    43    54    45    42    47  
   41    43    44    51    52    54    56    53    57    45    46    42    47  
   43    44    51    53    45    46    42  
   47    48    49    50    43    45    54  
   44    51    52    54    55    61    56    62    53    57    58    59    60    45    46  
   51    52    54    56    53    57    45  
   46    51    53  
    0  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    61    66    56    62    63    64    65    53    57  
   54    55    61    56    62    53  
   57    58    59    60    54    56  
   55    61    66    67    68    69    56    62  
   61    66    56  
   62    63    64    65    61  
   58    59    60  
   59    60  
   60  
    0  
   66    67    68    69  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69  
   68    69  
   69  
    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   0.205000   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  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   50   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   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   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   67   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   68   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   69   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    54   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    51   268.000  1.529
   43    53   320.000  1.410
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    56   320.000  1.410
   54    55   340.000  1.090
   54    61   320.000  1.410
   61    66   230.000  1.630
   66    67   525.000  1.516
   66    68   525.000  1.516
   66    69   525.000  1.516
   56    62   230.000  1.630
   62    63   525.000  1.516
   62    64   525.000  1.516
   62    65   525.000  1.516
   53    57   230.000  1.630
   57    58   525.000  1.516
   57    59   525.000  1.516
   57    60   525.000  1.516
   45    46   553.000  0.945
   42    47   230.000  1.630
   47    48   525.000  1.516
   47    49   525.000  1.516
   47    50   525.000  1.516
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    54    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    54    51    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    61    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    47    80.00000  112.68000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    51    58.35000  112.70000
   40    43    53    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    56    50.00000  109.50000
   43    53    57    80.00000  112.68000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    61    50.00000  109.50000
   51    56    62    80.00000  112.68000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    51    52    37.50000  110.70000
   54    61    66    80.00000  112.68000
   61    54    55    35.00000  109.50000
   61    66    67   100.00000  107.00000
   61    66    68   100.00000  107.00000
   61    66    69   100.00000  107.00000
   68    66    67   140.00000  114.00000
   69    66    67   140.00000  114.00000
   69    66    68   140.00000  114.00000
   56    51    52    35.00000  109.50000
   56    51    54    50.00000  109.50000
   56    62    63   100.00000  107.00000
   56    62    64   100.00000  107.00000
   56    62    65   100.00000  107.00000
   64    62    63   140.00000  114.00000
   65    62    63   140.00000  114.00000
   65    62    64   140.00000  114.00000
   53    43    44    35.00000  109.50000
   53    43    51    50.00000  109.50000
   53    57    58   100.00000  107.00000
   53    57    59   100.00000  107.00000
   53    57    60   100.00000  107.00000
   59    57    58   140.00000  114.00000
   60    57    58   140.00000  114.00000
   60    57    59   140.00000  114.00000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48   100.00000  107.00000
   42    47    49   100.00000  107.00000
   42    47    50   100.00000  107.00000
   49    47    48   140.00000  114.00000
   50    47    48   140.00000  114.00000
   50    47    49   140.00000  114.00000
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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    54    51   0.44750  1.0 1.0
   29    33    54    51  -0.17800 -1.0 2.0
   29    33    54    51   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    61   0.56750  1.0 1.0
   29    33    54    61  -0.07550 -1.0 2.0
   29    33    54    61   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   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    54    61    66  -2.65550  1.0 1.0
   33    54    61    66  -0.22350 -1.0 2.0
   33    54    61    66   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    54    51   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    61   0.23400  1.0 3.0
   38    33    54    51   0.56750  1.0 1.0
   38    33    54    51  -0.07550 -1.0 2.0
   38    33    54    51   0.20000  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    61   0.62750  1.0 1.0
   38    33    54    61  -0.30950 -1.0 2.0
   38    33    54    61   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    51   0.56750  1.0 1.0
   38    40   -43    51  -0.07550 -1.0 2.0
   38    40   -43    51   0.20000  1.0 3.0
   38    40    43    53   0.62750  1.0 1.0
   38    40    43    53  -0.30950 -1.0 2.0
   38    40    43    53   0.27300  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    50   0.00000  1.0 1.0
   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    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    54   0.56750  1.0 1.0
   40    43    51    54  -0.07550 -1.0 2.0
   40    43    51    54   0.20000  1.0 3.0
   40    43    51    56   0.62750  1.0 1.0
   40    43    51    56  -0.30950 -1.0 2.0
   40    43    51    56   0.27300  1.0 3.0
   40    43    53    57  -2.65550  1.0 1.0
   40    43    53    57  -0.22350 -1.0 2.0
   40    43    53    57   0.24150  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    51   0.15000  1.0 3.0
   41    40    43    53   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    51   -54    33   0.56750  1.0 1.0
   43    51   -54    33  -0.07550 -1.0 2.0
   43    51   -54    33   0.20000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    61   0.62750  1.0 1.0
   43    51    54    61  -0.30950 -1.0 2.0
   43    51    54    61   0.27300  1.0 3.0
   43    51    56    62  -2.65550  1.0 1.0
   43    51    56    62  -0.22350 -1.0 2.0
   43    51    56    62   0.24150  1.0 3.0
   43    53    57    58   0.00000  1.0 1.0
   43    53    57    59   0.00000  1.0 1.0
   43    53    57    60   0.00000  1.0 1.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   44    43    51    56   0.23400  1.0 3.0
   44    43    53    57   0.03000  1.0 3.0
   51    43    53    57  -2.65550  1.0 1.0
   51    43    53    57  -0.22350 -1.0 2.0
   51    43    53    57   0.24150  1.0 3.0
   51    54    61    66  -2.65550  1.0 1.0
   51    54    61    66  -0.22350 -1.0 2.0
   51    54    61    66   0.24150  1.0 3.0
   51    56    62    63   0.00000  1.0 1.0
   51    56    62    64   0.00000  1.0 1.0
   51    56    62    65   0.00000  1.0 1.0
   52    51    54    33   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    61   0.23400  1.0 3.0
   52    51    56    62   0.03000  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40   0.56750  1.0 1.0
   54    33   -38    40  -0.07550 -1.0 2.0
   54    33   -38    40   0.20000  1.0 3.0
   54    33    38    42   0.62750  1.0 1.0
   54    33    38    42  -0.30950 -1.0 2.0
   54    33    38    42   0.27300  1.0 3.0
   54    51    56    62  -2.65550  1.0 1.0
   54    51    56    62  -0.22350 -1.0 2.0
   54    51    56    62   0.24150  1.0 3.0
   54    61    66    67   0.00000  1.0 1.0
   54    61    66    68   0.00000  1.0 1.0
   54    61    66    69   0.00000  1.0 1.0
   55    54    61    66   0.03000  1.0 3.0
   56    51    54    33   0.62750  1.0 1.0
   56    51    54    33  -0.30950 -1.0 2.0
   56    51    54    33   0.27300  1.0 3.0
   56    51    54    55   0.23400  1.0 3.0
   56    51    54    61   1.11900  1.0 1.0
   56    51    54    61  -1.16350 -1.0 2.0
   56    51    54    61  -0.34150  1.0 3.0
   53    43    51    52   0.23400  1.0 3.0
   53    43    51    54   0.62750  1.0 1.0
   53    43    51    54  -0.30950 -1.0 2.0
   53    43    51    54   0.27300  1.0 3.0
   53    43    51    56   1.11900  1.0 1.0
   53    43    51    56  -1.16350 -1.0 2.0
   53    43    51    56  -0.34150  1.0 3.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    51   0.86500  1.0 1.0
   45    40    43    51  -0.17500 -1.0 2.0
   45    40    43    51   0.20800  1.0 3.0
   45    40    43    53   3.69350  1.0 1.0
   45    40    43    53  -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   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
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
