* LIGAND DATABASE FILE (OPLS2005)
*
001      68    67    118    172     344
    1     0 S   NP   _N1_     1    28.55665    94.34433   -19.04860
    2     1 S   H    _HN1     2     1.02969    95.47527    27.40693
    3     1 S   H    _H1_     3     1.02835    37.96590   138.25363
    4     1 S   H    _H2_     4     1.02773    77.98635   -80.16320
    5     1 S   CT   _CA1     5     1.50129   146.04403   167.63094
    6     5 S   HC   _HA1     6     1.09572   105.27591    40.65205
    7     5 S   CO3  _C1_     7     1.53791   112.34490   -79.60430
    8     7 S   O2Z  _O11     8     1.26357   115.01634   -44.31741
    9     7 S   O2Z  _O12     9     1.26240   114.90170   134.89365
   10     5 S   CT   _CB1    10     1.53066   107.37229   158.55875
   11    10 S   HC   HB11    11     1.09822   109.32255   -51.02935
   12    10 S   HC   HB12    12     1.09800   110.30106    65.44025
   13    10 S   CT   _CG1    13     1.53046   112.84065  -172.32530
   14    13 S   HC   HG11    14     1.09588   110.33633   -62.30742
   15    13 S   HC   HG12    15     1.09623   110.19466    57.00267
   16    13 S   C    _CD1    16     1.51763   112.02542   177.14851
   17    16 S   O    _OE1    17     1.22710   123.14504   -10.89965
   18    16 S   N    _N2_    18     1.38548   111.98394   169.95580
   19    18 S   H    _HN2    19     1.01602   118.98854     3.33472
   20    18 S   CT1  _CA2    20     1.46216   123.44168  -177.61443
   21    20 S   HC   _HA2    21     1.09661   109.01622     1.09253
   22    20 S   C    _C2_    22     1.53313   109.42808  -114.08009
   23    22 S   O    _O2_    23     1.23039   122.10848  -147.27848
   24    20 S   CT   _CB2    32     1.53436   111.09563   122.75686
   25    24 S   HC   HB21    33     1.09623   109.90409    54.39511
   26    24 S   HC   HB22    34     1.09533   111.70696   172.76975
   27    22 S   N    _N3_    24     1.38503   113.62871    41.03435
   28    27 S   H    _HN3    25     1.01449   119.14963    -3.16471
   29    24 S   S    _SG2    35     1.82798   112.37589   -65.06635
   30    27 S   CT   _CA3    26     1.45451   122.89743   173.49820
   31    30 S   HC   HA31    27     1.09553   108.59797    36.09338
   32    30 S   HC   HA32    28     1.09470   107.26558   153.13171
   33    29 S   CT   _C12    36     1.81184    99.29657   -81.44273
   34    33 S   HC   _H19    37     1.09346   112.12554    35.42332
   35    33 S   HC   _H20    38     1.09411   109.97230   -84.73783
   36    30 S   CO3  _C3_    29     1.52996   113.68048   -86.74311
   37    36 S   O2Z  _O31    30     1.26471   115.76530   -33.05657
   38    36 S   O2Z  _O32    31     1.26314   114.90420   147.46022
   39    33 S   CO4  _C11    39     1.51211   108.60334   156.03862
   40    39 S   O    _O34    40     1.23226   121.24344    89.02447
   41    39 S   CT1  _C6_    41     1.52783   116.58021   -92.23293
   42    41 S   HC   _H3_    42     1.09321   108.00673    28.18765
   43    41 S   CTM  _C7_    43     1.53320   109.08171   -93.44101
   44    43 S   HC   _H8_    44     1.09724   109.60800    45.53483
   45    43 S   HC   _H9_    45     1.09844   109.19104   -69.75994
   46    41 S   N    _N4_    61     1.45516   107.02384   144.71878
   47    46 S   H    _H7_    62     1.01659   117.58549    37.69415
   48    43 S   CT   _C8_    46     1.53421   115.05438   168.54021
   49    48 S   HC   _H10    47     1.09720   107.97010   175.38416
   50    48 S   HC   _H11    48     1.09553   109.90942    59.53853
   51    46 S   C    _C5_    63     1.38299   123.32883  -141.50516
   52    51 S   O    _O33    64     1.22771   125.59620    -1.86173
   53    48 S   CT   _C9_    49     1.52866   114.26035   -63.74131
   54    53 S   HC   _H12    50     1.09477   109.23651  -179.61437
   55    53 S   HC   _H13    51     1.09066   110.19242    60.77679
   56    51 S   CT   _C4_    65     1.50458   112.47740   179.39672
   57    56 S   HC   _H4_    66     1.09332   109.38506    75.60567
   58    56 S   HC   _H5_    67     1.09355   109.60732  -164.54998
   59    56 S   HC   _H6_    68     1.09380   110.48680   -44.96616
   60    53 S   NG   _N5_    52     1.47219   111.53505   -61.00309
   61    60 S   H    _H14    53     1.01671   119.36659   -16.45702
   62    60 S   CG1  _C10    54     1.38531   123.35160   162.33345
   63    62 S   NG   _N7_    55     1.37952   119.26410  -179.59458
   64    63 S   H    _H17    56     1.01467   122.13894    -0.23739
   65    63 S   H    _H18    57     1.02086   119.84703   179.76845
   66    62 S   NG   _N6_    58     1.37708   122.25071     0.40007
   67    66 S   H    _H15    59     1.02113   119.58286   179.86438
   68    66 S   H    _H16    60     1.01496   122.68650    -2.87160
  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   6   5   4   3
   8   4   3   2   1   1  10   4  13   7  12   6   5   8   3   8
   5   4   5   4   7   4   3   3   2   1   1   8   3   6   5   2
   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48    46    47    51  
   41    42    43    46  
   42    43    44    45    48    49    50    53    46    47    51    52    56  
   43    44    45    48    46    47    51  
   44    45    48    49    50    53    54    55    60    46    47    51  
   45    48    49    50    53    46  
   48    49    50    53    46  
   47    51    52    56    57    58    59    48  
   51    52    56  
   49    50    53    54    55    60    61    62  
   50    53    54    55    60  
   53    54    55    60  
   52    56    57    58    59  
   56    57    58    59  
   54    55    60    61    62    63    66  
   55    60    61    62  
   60    61    62  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67    68  
   62    63    66  
   63    64    65    66    67    68  
   64    65    66    67    68  
   65    66  
   66  
   67    68  
   68  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.699967   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.440000   0.9960   0.8600   0.030040813  -0.651083722
   62   2.2500   0.0500   0.639900   2.1120   1.8750   0.001000000  -0.126889456
   63   3.2500   0.1700  -0.799967   2.1120   1.8750   0.051222218  -2.220205820
   64   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.2500   0.1700  -0.799967   2.2900   2.0360   0.003973653   1.685851020
   67   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.460000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   255.000  1.522
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   337.000  1.449
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   337.000  1.463
   60    61   434.000  1.010
   60    62   481.000  1.340
   62    63   481.000  1.340
   62    66   481.000  1.340
   63    64   434.000  1.010
   63    65   434.000  1.010
   66    67   434.000  1.010
   66    68   434.000  1.010
   46    47   434.000  1.010
   46    51   490.000  1.335
   51    52   570.000  1.229
   51    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  110.18000
   33    39    40    80.00000  120.40000
   33    39    41    65.00000  117.09000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    45.00000  110.09800
   39    41    43    63.00000  111.10000
   39    41    46    80.00000  110.29000
   41    39    40    75.00000  123.42600
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    58.35000  112.70000
   41    46    47    38.00000  118.40000
   41    46    51    50.00000  121.90000
   43    41    42    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    53    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    60    80.00000  111.20000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    60    61    35.00000  118.40000
   53    60    62    50.00000  123.20000
   55    53    54    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    55    35.00000  109.50000
   60    62    63    70.00000  120.00000
   60    62    66    70.00000  120.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    35.00000  120.00000
   62    66    67    35.00000  120.00000
   62    66    68    35.00000  120.00000
   65    63    64    35.00000  120.00000
   66    62    63    70.00000  120.00000
   68    66    67    35.00000  120.00000
   46    41    42    35.00000  109.50000
   46    41    43    80.00000  109.70000
   46    51    52    80.00000  122.90000
   46    51    56    70.00000  116.60000
   51    46    47    35.00000  119.80000
   51    56    57    35.00000  109.50000
   51    56    58    35.00000  109.50000
   51    56    59    35.00000  109.50000
   56    51    52    80.00000  120.40000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.65300  1.0 1.0
   29    33    39    41  -0.03850 -1.0 2.0
   29    33    39    41   0.33900  1.0 3.0
   33    39    41    42   0.00000  1.0 1.0
   33    39    41    43   0.60050  1.0 1.0
   33    39    41    43   0.05600 -1.0 2.0
   33    39    41    43   0.26150  1.0 3.0
   33    39    41    46   0.65300  1.0 1.0
   33    39    41    46  -0.03850 -1.0 2.0
   33    39    41    46   0.33900  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    43    44  -0.03800  1.0 3.0
   39    41    43    45  -0.03800  1.0 3.0
   39    41    43    48  -0.33900  1.0 1.0
   39    41    43    48   0.82650 -1.0 2.0
   39    41    46    47   0.00000  1.0 1.0
   39    41    46    51  -0.29800  1.0 1.0
   39    41    46    51   0.13950 -1.0 2.0
   39    41    46    51  -2.45650  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    41    46   0.00000  1.0 1.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.15000  1.0 3.0
   41    43    48    53   0.65000  1.0 1.0
   41    43    48    53  -0.02500 -1.0 2.0
   41    43    48    53   0.10000  1.0 3.0
   41    46    51    52   3.04450 -1.0 2.0
   41    46    51    56   1.15000  1.0 1.0
   41    46    51    56   3.04450 -1.0 2.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    51   0.00000  1.0 1.0
   43    41    46    47   0.00000  1.0 1.0
   43    41    46    51   0.25950  1.0 1.0
   43    41    46    51   0.43850 -1.0 2.0
   43    41    46    51   2.61650  1.0 3.0
   43    48    53    54   0.15000  1.0 3.0
   43    48    53    55   0.15000  1.0 3.0
   43    48    53    60   1.36600  1.0 1.0
   43    48    53    60  -0.11450 -1.0 2.0
   43    48    53    60   0.24250  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    53   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    53   0.15000  1.0 3.0
   48    53    60    61  -0.09500  1.0 1.0
   48    53    60    61  -0.20850 -1.0 2.0
   48    53    60    61   0.20900  1.0 3.0
   48    53    60    62   0.91450  1.0 1.0
   48    53    60    62   0.12150 -1.0 2.0
   48    53    60    62  -0.24900  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    60  -0.29100  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    48    53    60  -0.29100  1.0 3.0
   53    60    62    63   3.96800 -1.0 2.0
   53    60    62    66   3.96800 -1.0 2.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    62   0.08850  1.0 3.0
   55    53    60    61   0.00000  1.0 1.0
   55    53    60    62   0.08850  1.0 3.0
   60    62    63    64   1.95000 -1.0 2.0
   60    62    63    65   1.95000 -1.0 2.0
   60    62    66    67   1.95000 -1.0 2.0
   60    62    66    68   1.95000 -1.0 2.0
   61    60    62    63   1.95000 -1.0 2.0
   61    60    62    66   1.95000 -1.0 2.0
   63    62    66    67   1.95000 -1.0 2.0
   63    62    66    68   1.95000 -1.0 2.0
   66    62    63    64   1.95000 -1.0 2.0
   66    62    63    65   1.95000 -1.0 2.0
   46    41    43    44   0.23200  1.0 3.0
   46    41    43    45   0.23200  1.0 3.0
   46    41    43    48   0.91050  1.0 1.0
   46    41    43    48   0.47550 -1.0 2.0
   46    41    43    48   0.58400  1.0 3.0
   46    51    56    57   0.00000  1.0 1.0
   46    51    56    58   0.00000  1.0 1.0
   46    51    56    59   0.00000  1.0 1.0
   47    46    51    52   2.45000 -1.0 2.0
   47    46    51    56   2.45000 -1.0 2.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   52    51    56    59   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
   37    30    36    38  10.50000 -1.0 2.0
   33    41    39    40  10.50000 -1.0 2.0
   61    62    60    53   1.00000 -1.0 2.0
   60    63    62    66  10.50000 -1.0 2.0
   65    62    63    64   1.00000 -1.0 2.0
   67    68    66    62   1.00000 -1.0 2.0
   47    51    46    41   1.00000 -1.0 2.0
   46    56    51    52  10.50000 -1.0 2.0
END
