* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    148    229     439
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02107   104.30803   -35.17755
    3     1 S   H    _H1_     3     1.02109    68.96599    69.65914
    4     1 S   H    _H2_     4     1.02134    44.12335  -137.43572
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08575   109.89770   179.09691
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C8_    36     1.83020    97.91524  -178.18016
   34    33 S   HC   _H5_    37     1.09328   105.16464   -42.76812
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C9_    38     1.51424   110.61367  -160.00591
   39    38 S   CM   _C13    39     1.45452   118.48688  -105.83442
   40    39 S   CM   _C12    40     1.34229   118.36739   164.52291
   41    40 S   HC   _H16    41     1.08538   121.00504  -178.34531
   42    39 S   CT   _C6_    49     1.50792   119.36671   -16.06288
   43    42 S   HC   _H3_    50     1.09883   108.85828   148.25209
   44    40 S   CT   _C11    42     1.49480   120.81183     3.71752
   45    44 S   HC   _H14    43     1.09535   109.23672   139.78566
   46    44 S   HC   _H15    44     1.09531   110.16888  -102.31107
   47    42 S   CO   _C7_    51     1.53179   111.97890    28.75386
   48    47 S   HC   _H4_    52     1.11363   108.86350  -164.62040
   49    42 S   CM   _C5_    77     1.50467   110.69913   -94.40751
   50    49 S   HC   _H13    78     1.08640   117.14587    61.55244
   51    44 S   OS   _O34    45     1.43479   114.24643    20.47742
   52    33 S   OS   _O33    53     1.43205   112.34724    70.38219
   53    47 S   OS1  _O36    54     1.42618   111.60400    79.55716
   54    49 S   CM   _C4_    79     1.33747   124.03638  -118.55238
   55    54 S   HC   _H11    80     1.08421   120.43963  -179.96044
   56    54 S   HC   _H12    81     1.08458   121.56050     0.04846
   57    38 S   CM   _C10    46     1.35265   122.93178    75.63834
   58    53 S   CO1  _C14    55     1.41872   111.35359   147.97715
   59    58 S   HC   _H6_    56     1.09691   107.45915    59.96508
   60    57 S   OH   _O35    47     1.38097   120.40576     2.60226
   61    60 S   HO   _H17    48     0.96204   109.70565   180.00000
   62    58 S   CT   _C15    57     1.52828   107.85550   179.66312
   63    62 S   HC   _H7_    58     1.09718   110.70776    51.30201
   64    62 S   CT   _C16    59     1.52865   111.37582   173.93444
   65    64 S   HC   _H8_    60     1.09749   110.91429    74.76811
   66    62 S   OH5  _O41    75     1.42701   109.49000   -66.33219
   67    66 S   HO   _H23    76     0.96883   106.48555   -61.60564
   68    64 S   CT   _C17    61     1.52947   111.18555   -48.60903
   69    68 S   HC   _H9_    62     1.09679   108.89454   -72.62114
   70    64 S   OH5  _O40    73     1.42809   109.20714  -168.30243
   71    70 S   HO   _H22    74     0.96889   106.34510    61.32725
   72    68 S   CT   _C18    63     1.53050   110.76333    49.58436
   73    72 S   HC   _H10    64     1.09778   110.56649    64.79618
   74    68 S   OH5  _O39    71     1.42540   108.00707   170.61634
   75    74 S   HO   _H21    72     0.96968   106.57073   -60.00930
   76    58 S   OS1  _O37    65     1.42634   109.82179   -59.86779
   77    72 S   CT   _C19    66     1.52548   112.21925  -175.06326
   78    77 S   HC   _H18    67     1.08961   109.99993    59.96059
   79    77 S   HC   _H19    68     1.09045   109.94525   -60.99372
   80    77 S   OH5  _O38    69     1.41549   108.56767   179.50742
   81    80 S   HO   _H20    70     0.97244   107.08896   180.00000
  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   7   5   4   3
  12   5   2   1   1  13  17  10   5  13   7   5   3   2  10   4
   6   3   3   3   8   2   1   1   2  13   6   1   1  12   7  13
   7   4   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    57    47    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    51    57    60    42    47    48    52    53  
   38    39    57    47    52  
   36    37  
   37  
    0  
   39    40    41    44    51    57    60    61    42    43    47    52    49  
   40    41    44    45    46    51    57    60    42    43    47    48    52    53    49    50    54  
   41    44    45    46    51    57    42    43    47    49  
   44    45    46    51    42  
   43    47    48    52    53    58    49    50    54    55    56    44    57  
   47    48    52    53    49    50    54  
   45    46    51    57    60  
   46    51    57  
   51    57  
   48    52    53    58    59    62    76    49    50    54  
   52    53    58    49  
   50    54    55    56    52    53  
   54    55    56  
   57    60    61  
   53    58    57  
   58    59    62    63    64    72    76    66  
   55    56  
   56  
    0  
   60    61  
   59    62    63    64    65    68    72    73    76    77    70    66    67  
   62    63    64    72    76    66  
   61  
    0  
   63    64    65    68    69    72    76    74    70    71    66    67  
   64    65    68    76    70    66    67  
   65    68    69    72    73    76    77    74    75    70    71    66    67  
   68    69    72    74    70    71    66  
   67    68    70    76  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   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   317.000  1.510
   33    52   320.000  1.410
   38    39   380.000  1.444
   38    57   549.000  1.340
   39    40   549.000  1.340
   39    42   317.000  1.510
   40    41   340.000  1.080
   40    44   317.000  1.510
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   320.000  1.410
   51    57   440.000  1.360
   57    60   510.000  1.338
   60    61   553.000  0.945
   42    43   340.000  1.090
   42    47   250.000  1.527
   42    49   317.000  1.510
   47    48   340.000  1.090
   47    52   320.000  1.380
   47    53   320.000  1.380
   53    58   370.000  1.399
   58    59   360.000  1.097
   58    62   255.000  1.525
   58    76   370.000  1.399
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   355.000  1.421
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   355.000  1.421
   72    73   340.000  1.090
   72    76   335.000  1.422
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   355.000  1.421
   80    81   580.000  0.967
   74    75   580.000  0.967
   70    71   580.000  0.967
   66    67   580.000  0.967
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    56   340.000  1.080
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    85.00000  114.68000
   33    38    39    70.00000  124.00000
   33    38    57    70.00000  124.00000
   33    52    47    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    70.00000  123.01800
   38    39    42    70.00000  124.00000
   38    57    51    80.00000  120.01400
   38    57    60    80.00000  121.38400
   39    40    41    35.00000  120.00000
   39    40    44    70.00000  124.00000
   39    42    43    35.00000  109.50000
   39    42    47    70.00000  112.02700
   39    42    49    70.00000  110.12100
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    51    85.00000  110.90400
   44    40    41    35.00000  117.00000
   44    51    57    90.00000  111.18400
   46    44    45    33.00000  107.80000
   51    44    45    35.00000  109.50000
   51    44    46    35.00000  109.50000
   51    57    60   115.00000  116.36000
   57    38    39    70.00000  123.01800
   57    60    61    70.00000  107.45700
   42    39    40    70.00000  124.00000
   42    47    48    45.00000  112.01100
   42    47    52    90.00000  108.56700
   42    47    53    90.00000  108.56700
   42    49    50    35.00000  117.00000
   42    49    54    70.00000  124.00000
   47    42    43    45.00000  108.72000
   47    53    58    90.00000  112.10700
   52    33    34    35.00000  109.50000
   52    33    38    85.00000  110.90400
   52    47    48    35.00000  109.50000
   53    47    48    35.00000  109.50000
   53    47    52    92.60000  111.55000
   53    58    59    60.00000  105.75400
   53    58    62    90.00000  109.70700
   53    58    76   110.00000  113.16000
   58    62    63    45.00000  109.54000
   58    62    64    70.00000  111.10000
   58    62    66    90.00000  109.42000
   58    76    72    90.00000  112.10700
   62    58    59    45.00000  111.65000
   62    64    65    37.50000  110.70000
   62    64    68    58.35000  112.70000
   62    64    70    90.00000  111.45300
   62    66    67    65.00000  108.53500
   64    62    63    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68    74    90.00000  111.45300
   64    70    71    65.00000  108.53500
   68    64    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    95.00000  107.88500
   68    72    77    58.35000  112.70000
   68    74    75    65.00000  108.53500
   72    68    69    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    90.00000  111.45300
   76    58    59    60.00000  105.75400
   76    58    62    90.00000  109.70700
   76    72    73    55.00000  108.98800
   77    72    73    37.50000  110.70000
   77    72    76    95.00000  107.88500
   77    80    81    65.00000  108.53500
   79    77    78    33.00000  107.80000
   80    77    78    60.00000  109.39000
   80    77    79    60.00000  109.39000
   74    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    64    65    60.00000  109.39000
   70    64    68    90.00000  111.45300
   66    62    63    60.00000  109.39000
   66    62    64    90.00000  111.45300
   49    42    43    35.00000  109.50000
   49    42    47    70.00000  112.02700
   49    54    55    35.00000  120.00000
   49    54    56    35.00000  120.00000
   54    49    50    35.00000  120.00000
   56    54    55    35.00000  117.00000
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   0.13850  1.0 1.0
   24    29    33    52  -1.34450 -1.0 2.0
   24    29    33    52   0.57400  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    57   0.42700  1.0 1.0
   29    33    38    57  -0.70350 -1.0 2.0
   29    33    38    57  -0.43150  1.0 3.0
   29    33    52    47   0.14700  1.0 1.0
   29    33    52    47  -1.16150 -1.0 2.0
   29    33    52    47   0.48700  1.0 3.0
   33    38    39    40  -0.18600  1.0 3.0
   33    38    39    42   0.35650  1.0 1.0
   33    38    39    42   0.31450 -1.0 2.0
   33    38    57    51   7.00000 -1.0 2.0
   33    38    57    60   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    52    47   0.37050  1.0 3.0
   38    33    52    47  -0.77900  1.0 1.0
   38    33    52    47  -0.36900 -1.0 2.0
   38    33    52    47   0.40400  1.0 3.0
   38    39    40    41   7.00000 -1.0 2.0
   38    39    40    44   7.00000 -1.0 2.0
   38    39    42    43   0.00000  1.0 1.0
   38    39   -42    47   0.98200  1.0 1.0
   38    39   -42    47  -0.11900 -1.0 2.0
   38    39   -42    47   0.24250  1.0 3.0
   38    39    42    49  -0.28300  1.0 1.0
   38    39    42    49   0.26700 -1.0 2.0
   38    39    42    49  -0.63300  1.0 3.0
   38    57    60    61  -0.66100  1.0 1.0
   38    57    60    61   1.20850 -1.0 2.0
   38    57    60    61  -0.36000  1.0 3.0
   39    38    57    51   7.00000 -1.0 2.0
   39    38    57    60   7.00000 -1.0 2.0
   39    40    44    45   0.00000  1.0 1.0
   39    40    44    46   0.00000  1.0 1.0
   39    40   -44    51   0.39000  1.0 1.0
   39    40   -44    51  -0.05800 -1.0 2.0
   39    40   -44    51  -0.55150  1.0 3.0
   39    42    47    48   0.15000  1.0 3.0
   39    42    47    52   0.61850  1.0 1.0
   39    42    47    52  -0.22750 -1.0 2.0
   39    42    47    52   0.15300  1.0 3.0
   39    42    47    53   0.61850  1.0 1.0
   39    42    47    53  -0.22750 -1.0 2.0
   39    42    47    53   0.15300  1.0 3.0
   39    42    49    50   0.00000  1.0 1.0
   39    42    49    54  -0.28300  1.0 1.0
   39    42    49    54   0.26700 -1.0 2.0
   39    42    49    54  -0.63300  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    47   0.09850  1.0 1.0
   40    39    42    47   0.15250 -1.0 2.0
   40    39    42    47  -0.50650  1.0 3.0
   40    39    42    49  -0.28300  1.0 1.0
   40    39    42    49   0.26700 -1.0 2.0
   40    39    42    49  -0.63300  1.0 3.0
   40    44    51    57  -0.48150  1.0 1.0
   40    44    51    57   0.09250 -1.0 2.0
   40    44    51    57  -0.12850  1.0 3.0
   41    40    44    45   0.33100  1.0 3.0
   41    40    44    46   0.33100  1.0 3.0
   41    40    44    51   0.00000  1.0 1.0
   44    51   -57    38  -2.26850  1.0 1.0
   44    51   -57    38   3.39050 -1.0 2.0
   44    51    57    60   2.00000 -1.0 2.0
   45    44    51    57   0.08050  1.0 3.0
   46    44    51    57   0.08050  1.0 3.0
   51    57    60    61   2.00000 -1.0 2.0
   57    38   -39    40   0.28850  1.0 1.0
   57    38   -39    40   2.61350 -1.0 2.0
   57    38   -39    40   0.78400  1.0 3.0
   57    38    39    42  -0.18600  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    44   7.00000 -1.0 2.0
   42    47   -52    33   0.06250  1.0 1.0
   42    47   -52    33  -0.01100 -1.0 2.0
   42    47   -52    33   0.28050  1.0 3.0
   42    47    53    58   0.06250  1.0 1.0
   42    47    53    58  -0.01100 -1.0 2.0
   42    47    53    58   0.28050  1.0 3.0
   42    49    54    55   7.00000 -1.0 2.0
   42    49    54    56   7.00000 -1.0 2.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    52   0.23400  1.0 3.0
   43    42    47    53   0.23400  1.0 3.0
   43    42    49    50   0.33100  1.0 3.0
   43    42    49    54   0.00000  1.0 1.0
   47    42    49    50   0.00000  1.0 1.0
   47    42    49    54   0.09850  1.0 1.0
   47    42    49    54   0.15250 -1.0 2.0
   47    42    49    54  -0.50650  1.0 3.0
   47    53    58    59   0.37050  1.0 3.0
   47    53    58    62   0.06250  1.0 1.0
   47    53    58    62  -0.01100 -1.0 2.0
   47    53    58    62   0.28050  1.0 3.0
   47    53    58    76  -0.12700  1.0 1.0
   47    53    58    76  -1.16200 -1.0 2.0
   47    53    58    76   0.58800  1.0 3.0
   48    47    52    33   0.37050  1.0 3.0
   48    47    53    58   0.37050  1.0 3.0
   52    33   -38    39   0.39000  1.0 1.0
   52    33   -38    39  -0.05800 -1.0 2.0
   52    33   -38    39  -0.55150  1.0 3.0
   52    33    38    57   0.39000  1.0 1.0
   52    33    38    57  -0.05800 -1.0 2.0
   52    33    38    57  -0.55150  1.0 3.0
   52    47    53    58  -0.53350  1.0 1.0
   52    47    53    58  -0.78350 -1.0 2.0
   52    47    53    58   0.33750  1.0 3.0
   53    47    52    33  -0.81800  1.0 1.0
   53    58    62    63   0.23400  1.0 3.0
   53    58    62    64   0.62750  1.0 1.0
   53    58    62    64  -0.30950 -1.0 2.0
   53    58    62    64   0.27300  1.0 3.0
   53    58    62    66   1.51850  1.0 1.0
   53    58    76    72  -0.70400  1.0 1.0
   53    58    76    72  -0.90350 -1.0 2.0
   58    62    64    65   0.15000  1.0 3.0
   58    62    64    68   0.56750  1.0 1.0
   58    62    64    68  -0.07550 -1.0 2.0
   58    62    64    68   0.20000  1.0 3.0
   58    62    64    70  -0.47750  1.0 1.0
   58    62    66    67   0.29150  1.0 1.0
   58    62    66    67  -0.28350 -1.0 2.0
   58    62    66    67   0.43600  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    66   0.23400  1.0 3.0
   59    58    76    72   0.37050  1.0 3.0
   62    58    76    72   0.06250  1.0 1.0
   62    58    76    72  -0.01100 -1.0 2.0
   62    58    76    72   0.28050  1.0 3.0
   62    64    68    69   0.15000  1.0 3.0
   62    64   -68    72   0.56750  1.0 1.0
   62    64   -68    72  -0.07550 -1.0 2.0
   62    64   -68    72   0.20000  1.0 3.0
   62    64    68    74  -0.47750  1.0 1.0
   62    64    70    71   0.29150  1.0 1.0
   62    64    70    71  -0.28350 -1.0 2.0
   62    64    70    71   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    68   0.15000  1.0 3.0
   63    62    64    70   0.23400  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   64    62    66    67   0.29150  1.0 1.0
   64    62    66    67  -0.28350 -1.0 2.0
   64    62    66    67   0.43600  1.0 3.0
   64    68    72    73   0.15000  1.0 3.0
   64    68    72    76   0.62750  1.0 1.0
   64    68    72    76  -0.30950 -1.0 2.0
   64    68    72    76   0.27300  1.0 3.0
   64    68    72    77   0.56750  1.0 1.0
   64    68    72    77  -0.07550 -1.0 2.0
   64    68    72    77   0.20000  1.0 3.0
   64    68    74    75   0.29150  1.0 1.0
   64    68    74    75  -0.28350 -1.0 2.0
   64    68    74    75   0.43600  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.15000  1.0 3.0
   65    64    68    74   0.23400  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   68    64    70    71   0.29150  1.0 1.0
   68    64    70    71  -0.28350 -1.0 2.0
   68    64    70    71   0.43600  1.0 3.0
   68    72   -76    58   0.06250  1.0 1.0
   68    72   -76    58  -0.01100 -1.0 2.0
   68    72   -76    58   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  -0.47750  1.0 1.0
   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   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    77    80    81   0.29150  1.0 1.0
   72    77    80    81  -0.28350 -1.0 2.0
   72    77    80    81   0.43600  1.0 3.0
   73    72    76    58   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    58    62    63   0.23400  1.0 3.0
   76    58   -62    64   0.62750  1.0 1.0
   76    58   -62    64  -0.30950 -1.0 2.0
   76    58   -62    64   0.27300  1.0 3.0
   76    58    62    66   1.51850  1.0 1.0
   76    72    77    78   0.23400  1.0 3.0
   76    72    77    79   0.23400  1.0 3.0
   76    72    77    80   1.51850  1.0 1.0
   77    72    76    58   0.06250  1.0 1.0
   77    72    76    58  -0.01100 -1.0 2.0
   77    72    76    58   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   1.51850  1.0 1.0
   74    68    72    77  -0.47750  1.0 1.0
   70    64    68    69   0.23400  1.0 3.0
   70    64    68    72  -0.47750  1.0 1.0
   70    64    68    74   3.77950  1.0 1.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    68  -0.47750  1.0 1.0
   66    62    64    70   3.77950  1.0 1.0
   49    42    47    48   0.15000  1.0 3.0
   49    42    47    52   0.61850  1.0 1.0
   49    42    47    52  -0.22750 -1.0 2.0
   49    42    47    52   0.15300  1.0 3.0
   49    42    47    53   0.61850  1.0 1.0
   49    42    47    53  -0.22750 -1.0 2.0
   49    42    47    53   0.15300  1.0 3.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    56   7.00000 -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    57   1.10000 -1.0 2.0
   38    42    39    40   1.10000 -1.0 2.0
   44    41    40    39   1.10000 -1.0 2.0
   51    60    57    38   1.10000 -1.0 2.0
   42    50    49    54  15.00000 -1.0 2.0
   55    56    54    49  15.00000 -1.0 2.0
END
