* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    148    232     450
    1     0 S   NP   _N1_     1    30.93708    89.61958   -22.45122
    2     1 S   H    _HN1     2     1.04031   129.02044   -50.93468
    3     1 S   H    _H1_     3     1.02792   107.19753    76.96115
    4     1 S   H    _H2_     4     1.02717    24.49160   -18.65310
    5     1 S   CT   _CA1     5     1.50077    90.34281  -170.24641
    6     5 S   HC   _HA1     6     1.09663   104.87373    68.34863
    7     5 S   CO3  _C1_     7     1.54137   111.31366   -49.13628
    8     7 S   O2Z  _O11     8     1.26241   116.29553   -96.68703
    9     7 S   O2Z  _O12     9     1.26467   114.23255    81.65072
   10     5 S   CT   _CB1    10     1.52840   106.81614  -175.81760
   11    10 S   HC   HB11    11     1.09769   109.37434   -49.36582
   12    10 S   HC   HB12    12     1.09750   110.33663    66.65507
   13    10 S   CT   _CG1    13     1.53133   113.17034  -170.03088
   14    13 S   HC   HG11    14     1.09503   111.47410   -73.68982
   15    13 S   HC   HG12    15     1.09577   110.94528    46.36708
   16    13 S   C    _CD1    16     1.51371   108.99395   165.24482
   17    16 S   O    _OE1    17     1.22818   122.03910  -104.06699
   18    16 S   N    _N2_    18     1.38342   112.68607    73.23038
   19    18 S   H    _HN2    19     1.01615   119.14406     5.95621
   20    18 S   CT1  _CA2    20     1.45716   122.32512  -165.90793
   21    20 S   HC   _HA2    21     1.09667   107.85771    34.83852
   22    20 S   C    _C2_    22     1.53032   111.04177   -81.91953
   23    22 S   O    _O2_    23     1.23132   121.00615   157.41495
   24    20 S   CT   _CB2    32     1.53372   111.82353   156.62430
   25    24 S   HC   HB21    33     1.09698   109.50702    73.77983
   26    24 S   HC   HB22    34     1.09517   110.54932  -170.16525
   27    22 S   N    _N3_    24     1.38136   114.47366   -30.12532
   28    27 S   H    _HN3    25     1.01639   119.47420     6.19549
   29    24 S   S    _SG2    35     1.83137   115.86170   -45.16476
   30    27 S   CT   _CA3    26     1.45283   122.93187  -176.44119
   31    30 S   HC   HA31    27     1.09556   107.64197   -59.76327
   32    30 S   HC   HA32    28     1.09560   107.78292    56.57169
   33    29 S   CT   _C14    36     1.84676   102.31683   -55.90165
   34    33 S   HC   _H12    37     1.09582   108.16995    52.46588
   35    30 S   CO3  _C3_    29     1.52884   114.27948   178.52064
   36    35 S   O2Z  _O31    30     1.26336   116.06995     1.87691
   37    35 S   O2Z  _O32    31     1.26440   114.41180  -178.12884
   38    33 S   CT   _C13    38     1.54666   112.19743   -67.38776
   39    38 S   HC   _H11    39     1.09446   110.99291    49.26445
   40    38 S   CT   _C12    40     1.54044   113.00676   -73.45912
   41    40 S   HC   _H10    41     1.09660   108.60514    68.16615
   42    38 S   OH   _O38    80     1.43308   108.91536   163.47503
   43    42 S   HO   _H16    81     0.97526   107.93674    63.89193
   44    40 S   CT   _C11    42     1.53532   112.93613   -52.03614
   45    44 S   HC   _H9_    43     1.09594   110.24294   176.75273
   46    40 S   OH   _O39    78     1.42670   109.46595  -176.19378
   47    46 S   HO   _H17    79     0.97189   107.82723   170.15334
   48    44 S   CT   _C10    44     1.53950   109.44120    55.72409
   49    48 S   HC   _H8_    45     1.09729   106.99507    61.11092
   50    44 S   OH   _O40    76     1.42721   109.64355   -67.34422
   51    50 S   HO   _H18    77     0.97504   108.13463   147.47438
   52    33 S   CT   _C15    46     1.55981   108.93146   168.07347
   53    52 S   HC   _H13    47     1.09736   108.66772   -49.00307
   54    48 S   OS   _O34    52     1.43286   108.00275   177.48830
   55    52 S   OS   _O35    48     1.43797   106.49868  -166.12427
   56    54 S   CO   _C9_    53     1.43532   113.65229  -144.77525
   57    56 S   HC   _H7_    54     1.09873   107.45848    56.89507
   58    55 S   PR   _P1_    49     1.61974   118.93107   149.50008
   59    58 S   OM   _O37    50     1.63909    97.50615   155.95657
   60    58 S   OM   _O36    51     1.64075    98.21869  -104.71996
   61    56 S   CT   _C8_    55     1.54155   108.65758   174.14144
   62    61 S   HC   _H6_    56     1.09680   109.49674   -59.16025
   63    61 S   CT   _C7_    57     1.53794   108.60527  -179.07169
   64    63 S   HC   _H5_    58     1.09789   108.07477    67.68337
   65    61 S   NTH2 _N4_    73     1.46867   110.97352    58.00873
   66    65 S   H    _H19    74     1.02036   109.58498   -54.50614
   67    65 S   H    _H20    75     1.01808   109.89676  -172.03814
   68    63 S   CT   _C6_    59     1.53542   112.68165   -51.39564
   69    68 S   HC   _H4_    60     1.09595   109.74766   171.97067
   70    63 S   OH   _O41    71     1.42564   111.54714  -175.46188
   71    70 S   HO   _H21    72     0.97252   107.50457   -53.82968
   72    68 S   CT   _C5_    61     1.53652   110.22200    50.21903
   73    72 S   HC   _H3_    62     1.09779   110.25392    65.54463
   74    68 S   OH   _O42    69     1.42854   110.60560   -71.18263
   75    74 S   HO   _H22    70     0.97337   107.00597   -40.60883
   76    56 S   OS   _O33    63     1.42991   113.03919   -63.28747
   77    72 S   CT   _C4_    64     1.52855   112.18216  -172.70870
   78    77 S   HC   _H14    65     1.09396   111.24277    69.69292
   79    77 S   HC   _H15    66     1.09415   111.17881   -52.55039
   80    77 S   OH   _O43    67     1.42512   109.11144  -171.58273
   81    80 S   HO   _H23    68     0.97622   106.92885  -168.76853
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  14   7  13   7   4   1  12   7   3   1  12
   6   3   1   7   3   9   3  14   6   2   1   1  13   8  14   7
   5   1   1  12   7   3   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    40    48    52    53    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    52    53    55    58    54    46    42    43  
   38    39    40    48    52    53    55    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    52    53    55    50    46    47    42    43  
   40    41    44    52    46    42    43  
   41    44    45    48    49    52    54    50    51    46    47    42    43  
   44    45    48    50    46    47    42  
   43    44    46    52  
    0  
   45    48    49    52    53    55    54    56    50    51    46    47  
   48    49    52    54    50    51    46  
   47    48    50  
    0  
   49    52    53    55    58    54    56    57    61    76    50    51  
   52    53    55    54    56    50  
   51    52    54  
    0  
   53    55    58    59    60    54    56  
   55    58    54  
   56    57    61    62    63    72    76    65    55  
   58    59    60  
   57    61    62    63    64    68    72    73    76    77    70    65    66    67  
   61    62    63    72    76    65  
   59    60  
   60  
    0  
   62    63    64    68    69    72    76    74    70    71    65    66    67  
   63    64    68    76    70    65    66    67  
   64    68    69    72    73    76    77    74    75    70    71    65    66    67  
   68    69    72    74    70    71    65  
   66    67    68    70    76  
   67  
    0  
   69    72    73    76    77    78    79    80    74    75    70    71  
   72    73    76    77    74    75    70  
   71    72    74  
    0  
   73    76    77    78    79    80    81    74    75  
   76    77    78    79    80    74  
   75    76    77  
    0  
   77    78    79    80  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   59   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   61   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    54   320.000  1.410
   52    53   340.000  1.090
   52    55   320.000  1.410
   55    58   325.000  1.672
   58    59   325.000  1.672
   58    60   325.000  1.672
   54    56   320.000  1.380
   56    57   340.000  1.090
   56    61   250.000  1.527
   56    76   320.000  1.380
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   300.000  1.468
   63    64   340.000  1.090
   63    68   268.000  1.529
   63    70   320.000  1.410
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   320.000  1.410
   72    73   340.000  1.090
   72    76   320.000  1.410
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   320.000  1.410
   80    81   553.000  0.945
   74    75   553.000  0.945
   70    71   553.000  0.945
   65    66   495.000  1.019
   65    67   495.000  1.019
   50    51   553.000  0.945
   46    47   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    52    48    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    55    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    52    58.35000  112.70000
   44    48    54    50.00000  109.50000
   44    50    51    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    55    50.00000  109.50000
   48    54    56    60.00000  109.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    55    58   100.00000  120.50000
   55    52    53    35.00000  109.50000
   55    58    59    45.00000  102.60000
   55    58    60    45.00000  102.60000
   60    58    59    35.00000   94.00000
   54    48    49    35.00000  109.50000
   54    48    52    50.00000  109.50000
   54    56    57    35.00000  109.50000
   54    56    61    90.00000  108.56700
   54    56    76    92.60000  111.55000
   56    61    62    45.00000  108.72000
   56    61    63    75.00000  109.43000
   56    61    65    80.00000  112.76400
   56    76    72    60.00000  109.50000
   61    56    57    45.00000  112.01100
   61    63    64    37.50000  110.70000
   61    63    68    58.35000  112.70000
   61    63    70    50.00000  109.50000
   61    65    66    50.00000  110.30900
   61    65    67    50.00000  110.30900
   63    61    62    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    72    58.35000  112.70000
   63    68    74    50.00000  109.50000
   63    70    71    55.00000  108.50000
   68    63    64    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    50.00000  109.50000
   68    72    77    58.35000  112.70000
   68    74    75    55.00000  108.50000
   72    68    69    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    50.00000  109.50000
   76    56    57    35.00000  109.50000
   76    56    61    90.00000  108.56700
   76    72    73    35.00000  109.50000
   77    72    73    37.50000  110.70000
   77    72    76    50.00000  109.50000
   77    80    81    55.00000  108.50000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   74    68    69    35.00000  109.50000
   74    68    72    50.00000  109.50000
   70    63    64    35.00000  109.50000
   70    63    68    50.00000  109.50000
   65    61    62    50.00000  110.79000
   65    61    63    80.00000  112.76400
   67    65    66    40.00000  106.77200
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    55   0.56750  1.0 1.0
   29    33    52    55  -0.07550 -1.0 2.0
   29    33    52    55   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    52    55    58  -2.65550  1.0 1.0
   33    52    55    58  -0.22350 -1.0 2.0
   33    52    55    58   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    52    48   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    55   0.23400  1.0 3.0
   38    33    52    48   0.56750  1.0 1.0
   38    33    52    48  -0.07550 -1.0 2.0
   38    33    52    48   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    55   0.62750  1.0 1.0
   38    33    52    55  -0.30950 -1.0 2.0
   38    33    52    55   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.86500  1.0 1.0
   38    40    44    50  -0.17500 -1.0 2.0
   38    40    44    50   0.20800  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    52   0.56750  1.0 1.0
   40    44    48    52  -0.07550 -1.0 2.0
   40    44    48    52   0.20000  1.0 3.0
   40    44    48    54   0.62750  1.0 1.0
   40    44    48    54  -0.30950 -1.0 2.0
   40    44    48    54   0.27300  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -52    33   0.56750  1.0 1.0
   44    48   -52    33  -0.07550 -1.0 2.0
   44    48   -52    33   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    55   0.62750  1.0 1.0
   44    48    52    55  -0.30950 -1.0 2.0
   44    48    52    55   0.27300  1.0 3.0
   44    48    54    56   0.06250  1.0 1.0
   44    48    54    56  -0.01100 -1.0 2.0
   44    48    54    56   0.28050  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   45    44    48    54   0.23400  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   48    44    50    51  -0.11600  1.0 1.0
   48    44    50    51  -0.09450 -1.0 2.0
   48    44    50    51   0.21250  1.0 3.0
   48    52    55    58  -2.65550  1.0 1.0
   48    52    55    58  -0.22350 -1.0 2.0
   48    52    55    58   0.24150  1.0 3.0
   48    54    56    57   0.37050  1.0 3.0
   48    54    56    61   0.06250  1.0 1.0
   48    54    56    61  -0.01100 -1.0 2.0
   48    54    56    61   0.28050  1.0 3.0
   48    54    56    76  -0.53350  1.0 1.0
   48    54    56    76  -0.78350 -1.0 2.0
   48    54    56    76   0.33750  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    55   0.23400  1.0 3.0
   49    48    54    56   0.37050  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.56750  1.0 1.0
   52    33   -38    40  -0.07550 -1.0 2.0
   52    33   -38    40   0.20000  1.0 3.0
   52    33    38    42   0.86500  1.0 1.0
   52    33    38    42  -0.17500 -1.0 2.0
   52    33    38    42   0.20800  1.0 3.0
   52    48    54    56   0.06250  1.0 1.0
   52    48    54    56  -0.01100 -1.0 2.0
   52    48    54    56   0.28050  1.0 3.0
   52    55    58    59   0.05050  1.0 1.0
   52    55    58    59  -1.30700 -1.0 2.0
   52    55    58    59   0.91550  1.0 3.0
   52    55    58    60   0.05050  1.0 1.0
   52    55    58    60  -1.30700 -1.0 2.0
   52    55    58    60   0.91550  1.0 3.0
   53    52    55    58   0.03000  1.0 3.0
   54    48    52    33   0.62750  1.0 1.0
   54    48    52    33  -0.30950 -1.0 2.0
   54    48    52    33   0.27300  1.0 3.0
   54    48    52    53   0.23400  1.0 3.0
   54    48    52    55   1.11900  1.0 1.0
   54    48    52    55  -1.16350 -1.0 2.0
   54    48    52    55  -0.34150  1.0 3.0
   54    56    61    62   0.23400  1.0 3.0
   54    56    61    63   0.62750  1.0 1.0
   54    56    61    63  -0.30950 -1.0 2.0
   54    56    61    63   0.27300  1.0 3.0
   54    56    61    65   3.18800  1.0 1.0
   54    56    61    65  -1.12350 -1.0 2.0
   54    56    76    72  -0.81800  1.0 1.0
   56    61    63    64   0.15000  1.0 3.0
   56    61    63    68   3.97050  1.0 1.0
   56    61    63    70   0.86500  1.0 1.0
   56    61    63    70  -0.17500 -1.0 2.0
   56    61    63    70   0.20800  1.0 3.0
   56    61    65    66   0.21650  1.0 1.0
   56    61    65    66   0.26250 -1.0 2.0
   56    61    65    66   0.12450  1.0 3.0
   56    61    65    67   0.21650  1.0 1.0
   56    61    65    67   0.26250 -1.0 2.0
   56    61    65    67   0.12450  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    65   0.15000  1.0 3.0
   57    56    76    72   0.37050  1.0 3.0
   61    56    76    72   0.06250  1.0 1.0
   61    56    76    72  -0.01100 -1.0 2.0
   61    56    76    72   0.28050  1.0 3.0
   61    63    68    69   0.15000  1.0 3.0
   61    63   -68    72   0.56750  1.0 1.0
   61    63   -68    72  -0.07550 -1.0 2.0
   61    63   -68    72   0.20000  1.0 3.0
   61    63    68    74   0.86500  1.0 1.0
   61    63    68    74  -0.17500 -1.0 2.0
   61    63    68    74   0.20800  1.0 3.0
   61    63    70    71  -0.11600  1.0 1.0
   61    63    70    71  -0.09450 -1.0 2.0
   61    63    70    71   0.21250  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    68   0.15000  1.0 3.0
   62    61    63    70   0.23400  1.0 3.0
   62    61    65    66   0.20000  1.0 3.0
   62    61    65    67   0.20000  1.0 3.0
   63    61    65    66   0.21650  1.0 1.0
   63    61    65    66   0.26250 -1.0 2.0
   63    61    65    66   0.12450  1.0 3.0
   63    61    65    67   0.21650  1.0 1.0
   63    61    65    67   0.26250 -1.0 2.0
   63    61    65    67   0.12450  1.0 3.0
   63    68    72    73   0.15000  1.0 3.0
   63    68    72    76   0.62750  1.0 1.0
   63    68    72    76  -0.30950 -1.0 2.0
   63    68    72    76   0.27300  1.0 3.0
   63    68    72    77   0.56750  1.0 1.0
   63    68    72    77  -0.07550 -1.0 2.0
   63    68    72    77   0.20000  1.0 3.0
   63    68    74    75  -0.11600  1.0 1.0
   63    68    74    75  -0.09450 -1.0 2.0
   63    68    74    75   0.21250  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    72   0.15000  1.0 3.0
   64    63    68    74   0.23400  1.0 3.0
   64    63    70    71   0.19450  1.0 3.0
   68    63    70    71  -0.11600  1.0 1.0
   68    63    70    71  -0.09450 -1.0 2.0
   68    63    70    71   0.21250  1.0 3.0
   68    72   -76    56   0.06250  1.0 1.0
   68    72   -76    56  -0.01100 -1.0 2.0
   68    72   -76    56   0.28050  1.0 3.0
   68    72    77    78   0.15000  1.0 3.0
   68    72    77    79   0.15000  1.0 3.0
   68    72    77    80   0.86500  1.0 1.0
   68    72    77    80  -0.17500 -1.0 2.0
   68    72    77    80   0.20800  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.23400  1.0 3.0
   69    68    72    77   0.15000  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75  -0.11600  1.0 1.0
   72    68    74    75  -0.09450 -1.0 2.0
   72    68    74    75   0.21250  1.0 3.0
   72    77    80    81  -0.11600  1.0 1.0
   72    77    80    81  -0.09450 -1.0 2.0
   72    77    80    81   0.21250  1.0 3.0
   73    72    76    56   0.37050  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    80   0.23400  1.0 3.0
   76    56    61    62   0.23400  1.0 3.0
   76    56   -61    63   0.62750  1.0 1.0
   76    56   -61    63  -0.30950 -1.0 2.0
   76    56   -61    63   0.27300  1.0 3.0
   76    56    61    65   3.18800  1.0 1.0
   76    56    61    65  -1.12350 -1.0 2.0
   76    72    77    78   0.23400  1.0 3.0
   76    72    77    79   0.23400  1.0 3.0
   76    72    77    80   3.69350  1.0 1.0
   76    72    77    80  -1.82950 -1.0 2.0
   77    72    76    56   0.06250  1.0 1.0
   77    72    76    56  -0.01100 -1.0 2.0
   77    72    76    56   0.28050  1.0 3.0
   78    77    80    81   0.19450  1.0 3.0
   79    77    80    81   0.19450  1.0 3.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76   3.69350  1.0 1.0
   74    68    72    76  -1.82950 -1.0 2.0
   74    68    72    77   0.86500  1.0 1.0
   74    68    72    77  -0.17500 -1.0 2.0
   74    68    72    77   0.20800  1.0 3.0
   70    63    68    69   0.23400  1.0 3.0
   70    63    68    72   0.86500  1.0 1.0
   70    63    68    72  -0.17500 -1.0 2.0
   70    63    68    72   0.20800  1.0 3.0
   70    63    68    74   3.75450  1.0 1.0
   65    61    63    64   0.15000  1.0 3.0
   65    61    63    68   1.85550  1.0 1.0
   65    61    63    68  -0.84100 -1.0 2.0
   65    61    63    70   5.28650  1.0 1.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    52   0.86500  1.0 1.0
   50    44    48    52  -0.17500 -1.0 2.0
   50    44    48    52   0.20800  1.0 3.0
   50    44    48    54   3.69350  1.0 1.0
   50    44    48    54  -1.82950 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
