* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    128    199     379
    1     0 S   NP   _N1_     1    28.62026    96.86487   -22.18373
    2     1 S   H    _HN1     2     1.02785    96.94782   -94.77527
    3     1 S   H    _H1_     3     1.02951    72.26742    12.31995
    4     1 S   H    _H2_     4     1.02830    42.38412   156.23918
    5     1 S   CT   _CA1     5     1.50104   147.05381   112.68874
    6     5 S   HC   _HA1     6     1.09574   105.21841    89.04599
    7     5 S   CO3  _C1_     7     1.53797   112.40289   -31.21673
    8     7 S   O2Z  _O11     8     1.26371   115.01333   -44.14659
    9     7 S   O2Z  _O12     9     1.26238   114.94263   135.00205
   10     5 S   CT   _CB1    10     1.53085   107.41957  -152.99149
   11    10 S   HC   HB11    11     1.09831   109.40095   -49.99621
   12    10 S   HC   HB12    12     1.09814   110.44071    66.61128
   13    10 S   CT   _CG1    13     1.52984   112.58390  -170.98746
   14    13 S   HC   HG11    14     1.09588   110.58812   -64.57450
   15    13 S   HC   HG12    15     1.09668   109.83171    54.64701
   16    13 S   C    _CD1    16     1.51801   112.26723   175.09987
   17    16 S   O    _OE1    17     1.22730   123.29430     4.63485
   18    16 S   N    _N2_    18     1.38630   111.62072  -175.45110
   19    18 S   H    _HN2    19     1.01594   119.00313     1.75256
   20    18 S   CT1  _CA2    20     1.46233   123.47379   178.17608
   21    20 S   HC   _HA2    21     1.09741   109.31058     1.84281
   22    20 S   C    _C2_    22     1.53563   108.92739  -113.63265
   23    22 S   O    _O2_    23     1.23058   122.26371  -150.79231
   24    20 S   CT   _CB2    32     1.53344   111.36411   123.75627
   25    24 S   HC   HB21    33     1.09446   109.72189    55.27323
   26    24 S   HC   HB22    34     1.09499   110.26440   174.59891
   27    22 S   N    _N3_    24     1.38332   113.77716    36.83125
   28    27 S   H    _HN3    25     1.01578   119.54236    -3.59869
   29    24 S   S    _SG2    35     1.82710   111.26559   -65.58937
   30    27 S   CT   _CA3    26     1.45271   123.18590   177.02843
   31    30 S   HC   HA31    27     1.09550   107.53306   -64.13024
   32    30 S   HC   HA32    28     1.09558   107.96159    52.30232
   33    29 S   CT   _C8_    36     1.85534    99.75311  -176.49429
   34    33 S   HC   _H3_    37     1.09459   107.19572    40.06136
   35    30 S   CO3  _C3_    29     1.52946   114.09494   174.29893
   36    35 S   O2Z  _O31    30     1.26375   116.07973    -0.09891
   37    35 S   O2Z  _O32    31     1.26431   114.40895   179.95154
   38    33 S   CM   _C6_    38     1.52426   109.43993   -80.43191
   39    38 S   CT   _C5_    39     1.50952   112.03044   -76.62733
   40    39 S   HC   _H10    40     1.09643   109.72970    60.74948
   41    39 S   HC   _H11    41     1.09286   113.89705   178.71732
   42    38 S   CMA  _C7_    66     1.35844   122.78388   107.23242
   43    42 S   OM   _O33    67     1.25867   129.98727    -1.31105
   44    39 S   CT   _C4_    42     1.51853   108.70953   -59.48133
   45    44 S   HC   _H8_    43     1.09767   110.12024   -79.88364
   46    44 S   HC   _H9_    44     1.09615   109.77143   163.37476
   47    42 S   NE   _N4_    68     1.36645   122.71495   178.36997
   48    47 S   H    _H12    69     1.00812   122.55060     1.39297
   49    47 S   H    _H13    70     1.01201   117.25046   179.71607
   50    44 S   CG   _C9_    45     1.50114   115.76113    41.14097
   51    50 S   HC   _H14    46     1.10096   118.88999   169.13190
   52    33 S   N*   _N5_    47     1.51682   114.18019   155.69890
   53    52 S   CO   _C10    48     1.50801   116.83287   -78.55086
   54    53 S   HC   _H4_    49     1.09791   106.27598   137.69338
   55    53 S   CT   _C11    50     1.53559   110.59362  -103.39823
   56    55 S   HC   _H5_    51     1.09500   111.76378   -77.44770
   57    55 S   CT   _C12    52     1.51604   101.52887   160.46960
   58    57 S   HC   _H6_    53     1.09455   114.36934  -158.15110
   59    55 S   OH   _O37    64     1.42438   111.36726    44.50132
   60    59 S   HO   _H19    65     0.97287   107.87320   177.53161
   61    57 S   CT   _C13    54     1.52700   101.72140   -38.19214
   62    61 S   HC   _H7_    55     1.09733   110.26527   -80.08069
   63    57 S   OH   _O36    62     1.42268   109.63596    79.25095
   64    63 S   HO   _H18    63     0.97297   107.57426    70.12885
   65    53 S   OS   _O34    56     1.44303   118.54794    19.92937
   66    61 S   CT   _C14    57     1.52195   114.91812   154.76150
   67    66 S   HC   _H15    58     1.09421   110.94825    51.41865
   68    66 S   HC   _H16    59     1.09466   111.42949   -71.23767
   69    66 S   OH   _O35    60     1.42467   108.94825   170.19889
   70    69 S   HO   _H17    61     0.97238   107.06071   178.71336
  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   8   5   4   3
  16   6   2   1   1  14  11   6   5   6   3   6   4   3   2   1
   1   6   2   8  12   6  11   7  12   7   4   1   9   6   3   1
   4   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    50    52    53    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    52    53    54    55    65    42    43    47  
   38    39    50    52    53    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    52    53    42    43    47    48    49  
   40    41    44    45    46    50    51    52    42    43    47  
   41    44    45    46    50    42  
   44    45    46    50    42  
   43    47    48    49    44    52  
   47    48    49  
   45    46    50    51    52    53  
   46    50    51    52  
   50    51    52  
   48    49  
   49  
    0  
   51    52    53    54    55    65  
   52    53  
   53    54    55    56    57    61    65    59  
   54    55    56    57    58    61    62    65    66    63    59    60  
   55    56    57    61    65    59  
   56    57    58    61    62    65    66    63    64    59    60  
   57    58    61    65    63    59    60  
   58    61    62    65    66    67    68    69    63    64    59    60  
   61    62    65    66    63    64    59  
   60    61    63    65  
    0  
   62    65    66    67    68    69    70    63    64  
   65    66    67    68    69    63  
   64    65    66  
    0  
   66    67    68    69  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    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   0.514200   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.215700   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -1.229900   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050  -0.072300   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.065700   1.9050   1.6860   0.051222218  -2.220205820
   53   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    52   337.000  1.475
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   290.000  1.488
   50    51   385.000  1.083
   50    52   590.000  1.308
   52    53   275.000  1.479
   53    54   340.000  1.090
   53    55   250.000  1.527
   53    65   320.000  1.380
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   320.000  1.410
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    63   320.000  1.410
   61    62   340.000  1.090
   61    65   320.000  1.410
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   320.000  1.410
   69    70   553.000  0.945
   63    64   553.000  0.945
   59    60   553.000  0.945
   42    43   745.000  1.250
   42    47   415.000  1.382
   47    48   434.000  1.010
   47    49   434.000  1.010
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  112.20000
   29    33    52    80.00000  108.62000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    52    50    85.00000  113.64000
   33    52    53    65.00000  120.78000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    47    75.00000  114.40000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    50    70.00000  109.02000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    50    51    35.00000  121.91500
   44    50    52    65.00000  114.34000
   46    44    45    33.00000  107.80000
   50    44    45    45.00000  109.33400
   50    44    46    45.00000  109.33400
   50    52    53    65.00000  122.98000
   52    33    34    35.00000  109.50000
   52    33    38    80.00000  111.76000
   52    50    51    45.00000  115.58000
   52    53    54    55.00000  103.44000
   52    53    55    75.00000  107.44000
   52    53    65   105.00000  106.22000
   53    55    56    45.00000  108.72000
   53    55    57    75.00000  109.43000
   53    55    59    90.00000  111.58700
   53    65    61    60.00000  109.50000
   55    53    54    45.00000  112.01100
   55    57    58    37.50000  110.70000
   55    57    61    58.35000  112.70000
   55    57    63    50.00000  109.50000
   55    59    60    55.00000  108.50000
   57    55    56    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    65    50.00000  109.50000
   57    61    66    58.35000  112.70000
   57    63    64    55.00000  108.50000
   61    57    58    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    50.00000  109.50000
   65    53    54    35.00000  109.50000
   65    53    55    90.00000  108.56700
   65    61    62    35.00000  109.50000
   66    61    62    37.50000  110.70000
   66    61    65    50.00000  109.50000
   66    69    70    55.00000  108.50000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   63    57    58    35.00000  109.50000
   63    57    61    50.00000  109.50000
   59    55    56    35.00000  109.50000
   59    55    57    50.00000  109.50000
   42    38    39    70.00000  124.00000
   42    47    48    50.00000  121.48000
   42    47    49    50.00000  121.48000
   47    42    43   105.00000  113.92000
   49    47    48    35.00000  109.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    52    50   0.68100  1.0 1.0
   29    33    52    50   0.03350 -1.0 2.0
   29    33    52    50   0.36200  1.0 3.0
   29    33    52    53   0.68100  1.0 1.0
   29    33    52    53   0.03350 -1.0 2.0
   29    33    52    53   0.36200  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   33    52    53    54   0.00000  1.0 1.0
   33    52    53    55   2.08450  1.0 1.0
   33    52    53    55  -0.39300 -1.0 2.0
   33    52    53    55   0.23400  1.0 3.0
   33    52    53    65   0.10350  1.0 1.0
   33    52    53    65  -0.15350 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    52    50   0.00000  1.0 1.0
   34    33    52    53   0.00000  1.0 1.0
   38    33    52    50   0.68100  1.0 1.0
   38    33    52    50   0.03350 -1.0 2.0
   38    33    52    50   0.36200  1.0 3.0
   38    33    52    53   0.68100  1.0 1.0
   38    33    52    53   0.03350 -1.0 2.0
   38    33    52    53   0.36200  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39    44    46   0.15000  1.0 3.0
   38    39   -44    50   0.31000  1.0 1.0
   38    39   -44    50   0.14700 -1.0 2.0
   38    39   -44    50   0.07550  1.0 3.0
   38    42    47    48   1.00000 -1.0 2.0
   38    42    47    49   1.00000 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    47   7.00000 -1.0 2.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52  -0.93550  1.0 1.0
   39    44    50    52   0.38900 -1.0 2.0
   39    44    50    52   0.16950  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    50   0.15000  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    46   0.15000  1.0 3.0
   41    39    44    50   0.15000  1.0 3.0
   44    50   -52    33   3.62500 -1.0 2.0
   44    50    52    53   3.62500 -1.0 2.0
   45    44    50    51   0.33100  1.0 3.0
   45    44    50    52   0.00000  1.0 1.0
   46    44    50    51   0.33100  1.0 3.0
   46    44    50    52   0.00000  1.0 1.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55   2.08450  1.0 1.0
   50    52    53    55  -0.39300 -1.0 2.0
   50    52    53    55   0.23400  1.0 3.0
   50    52    53    65  -0.28000  1.0 1.0
   50    52    53    65  -1.16550 -1.0 2.0
   51    50    52    33   1.88100 -1.0 2.0
   51    50    52    53   1.88100 -1.0 2.0
   52    33   -38    39   0.09700  1.0 1.0
   52    33   -38    39   0.15600 -1.0 2.0
   52    33   -38    39  -0.50800  1.0 3.0
   52    33    38    42   0.62150  1.0 1.0
   52    33    38    42   0.42850 -1.0 2.0
   52    33    38    42  -0.68200  1.0 3.0
   52    53    55    56   0.15000  1.0 3.0
   52    53    55    57  -0.27100  1.0 1.0
   52    53    55    57  -0.01700 -1.0 2.0
   52    53    55    57  -0.48600  1.0 3.0
   52    53    55    59   2.76900  1.0 1.0
   52    53    55    59  -0.24350 -1.0 2.0
   52    53    55    59  -0.78250  1.0 3.0
   52    53    65    61  -2.37750  1.0 1.0
   52    53    65    61  -0.08150 -1.0 2.0
   52    53    65    61   0.59000  1.0 3.0
   53    55    57    58   0.15000  1.0 3.0
   53    55   -57    61   3.97050  1.0 1.0
   53    55    57    63   0.86500  1.0 1.0
   53    55    57    63  -0.17500 -1.0 2.0
   53    55    57    63   0.20800  1.0 3.0
   53    55    59    60  -0.11600  1.0 1.0
   53    55    59    60  -0.09450 -1.0 2.0
   53    55    59    60   0.21250  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    59   0.23400  1.0 3.0
   54    53    65    61   0.37050  1.0 3.0
   55    53   -65    61   0.06250  1.0 1.0
   55    53   -65    61  -0.01100 -1.0 2.0
   55    53   -65    61   0.28050  1.0 3.0
   55    57    61    62   0.15000  1.0 3.0
   55    57   -61    65   0.62750  1.0 1.0
   55    57   -61    65  -0.30950 -1.0 2.0
   55    57   -61    65   0.27300  1.0 3.0
   55    57    61    66   0.56750  1.0 1.0
   55    57    61    66  -0.07550 -1.0 2.0
   55    57    61    66   0.20000  1.0 3.0
   55    57    63    64  -0.11600  1.0 1.0
   55    57    63    64  -0.09450 -1.0 2.0
   55    57    63    64   0.21250  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    61   0.15000  1.0 3.0
   56    55    57    63   0.23400  1.0 3.0
   56    55    59    60   0.19450  1.0 3.0
   57    55    59    60  -0.11600  1.0 1.0
   57    55    59    60  -0.09450 -1.0 2.0
   57    55    59    60   0.21250  1.0 3.0
   57    61   -65    53   0.06250  1.0 1.0
   57    61   -65    53  -0.01100 -1.0 2.0
   57    61   -65    53   0.28050  1.0 3.0
   57    61    66    67   0.15000  1.0 3.0
   57    61    66    68   0.15000  1.0 3.0
   57    61    66    69   0.86500  1.0 1.0
   57    61    66    69  -0.17500 -1.0 2.0
   57    61    66    69   0.20800  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    65   0.23400  1.0 3.0
   58    57    61    66   0.15000  1.0 3.0
   58    57    63    64   0.19450  1.0 3.0
   61    57    63    64  -0.11600  1.0 1.0
   61    57    63    64  -0.09450 -1.0 2.0
   61    57    63    64   0.21250  1.0 3.0
   61    66    69    70  -0.11600  1.0 1.0
   61    66    69    70  -0.09450 -1.0 2.0
   61    66    69    70   0.21250  1.0 3.0
   62    61    65    53   0.37050  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    69   0.23400  1.0 3.0
   65    53    55    56   0.23400  1.0 3.0
   65    53   -55    57   0.62750  1.0 1.0
   65    53   -55    57  -0.30950 -1.0 2.0
   65    53   -55    57   0.27300  1.0 3.0
   65    53    55    59   3.69350  1.0 1.0
   65    53    55    59  -1.82950 -1.0 2.0
   65    61    66    67   0.23400  1.0 3.0
   65    61    66    68   0.23400  1.0 3.0
   65    61    66    69   3.69350  1.0 1.0
   65    61    66    69  -1.82950 -1.0 2.0
   66    61    65    53   0.06250  1.0 1.0
   66    61    65    53  -0.01100 -1.0 2.0
   66    61    65    53   0.28050  1.0 3.0
   67    66    69    70   0.19450  1.0 3.0
   68    66    69    70   0.19450  1.0 3.0
   63    57    61    62   0.23400  1.0 3.0
   63    57    61    65   3.69350  1.0 1.0
   63    57    61    65  -1.82950 -1.0 2.0
   63    57    61    66   0.86500  1.0 1.0
   63    57    61    66  -0.17500 -1.0 2.0
   63    57    61    66   0.20800  1.0 3.0
   59    55    57    58   0.23400  1.0 3.0
   59    55    57    61   0.86500  1.0 1.0
   59    55    57    61  -0.17500 -1.0 2.0
   59    55    57    61   0.20800  1.0 3.0
   59    55    57    63   3.75450  1.0 1.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   43    42    47    48   1.00000 -1.0 2.0
   43    42    47    49   1.00000 -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
   33    39    38    42   1.10000 -1.0 2.0
   44    51    50    52  10.50000 -1.0 2.0
   33    53    52    50   1.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   49    42    47    48   1.00000 -1.0 2.0
END
