* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    154    227     446
    1     0 S   NP   _N1_     1    28.25049    99.41327   -23.22942
    2     1 S   H    _HN1     2     1.02777   108.57558  -103.51833
    3     1 S   H    _H1_     3     1.02959    62.46740    -2.04459
    4     1 S   H    _H2_     4     1.02839    46.66366   159.10424
    5     1 S   CT   _CA1     5     1.50132   138.34518    88.25428
    6     5 S   HC   _HA1     6     1.09576   105.21593   106.50440
    7     5 S   CO3  _C1_     7     1.53778   112.34318   -13.67598
    8     7 S   O2Z  _O11     8     1.26363   114.99404   -44.35540
    9     7 S   O2Z  _O12     9     1.26234   114.92555   134.71829
   10     5 S   CT   _CB1    10     1.53096   107.41965  -135.60616
   11    10 S   HC   HB11    11     1.09828   109.30331   -50.69597
   12    10 S   HC   HB12    12     1.09817   110.43582    65.84279
   13    10 S   CT   _CG1    13     1.53028   112.69410  -171.77634
   14    13 S   HC   HG11    14     1.09594   110.49498   -64.66539
   15    13 S   HC   HG12    15     1.09657   109.91867    54.54401
   16    13 S   C    _CD1    16     1.51843   112.28884   174.88925
   17    16 S   O    _OE1    17     1.22756   123.28130     0.58115
   18    16 S   N    _N2_    18     1.38562   111.75697  -179.39477
   19    18 S   H    _HN2    19     1.01575   119.04350     4.20235
   20    18 S   CT1  _CA2    20     1.45822   122.81453   177.71415
   21    20 S   HC   _HA2    21     1.09702   108.97402    23.94228
   22    20 S   C    _C2_    22     1.52730   106.52334   -93.60329
   23    22 S   O    _O2_    23     1.23001   122.73402   -37.53727
   24    20 S   CT   _CB2    32     1.53041   112.17120   147.20445
   25    24 S   HC   HB21    33     1.09604   110.48553    51.80748
   26    24 S   HC   HB22    34     1.09503   110.27462   171.00073
   27    22 S   N    _N3_    24     1.38447   112.78531   144.88702
   28    27 S   H    _HN3    25     1.01631   120.42656    -2.17871
   29    24 S   S    _SG2    35     1.82291   110.92661   -68.99813
   30    27 S   CT   _CA3    26     1.45378   122.36230   179.21516
   31    30 S   HC   HA31    27     1.09569   107.29898   -65.36138
   32    30 S   HC   HA32    28     1.09559   108.13570    50.96623
   33    29 S   CT   _C21    36     1.82024    98.72244   174.67251
   34    33 S   HC   _H18    37     1.09465   107.57463   -66.55799
   35    33 S   HC   _H19    38     1.09293   110.09446    49.22371
   36    30 S   CO3  _C3_    29     1.52866   114.30213   172.75327
   37    36 S   O2Z  _O31    30     1.26333   115.99959   -12.33846
   38    36 S   O2Z  _O32    31     1.26417   114.47195   167.62729
   39    33 S   CM   _C19    39     1.50424   110.48937   171.27744
   40    39 S   CMA  _C20    40     1.35000   126.19858   111.77085
   41    40 S   OM   _O37    41     1.26342   127.75979     0.92873
   42    40 S   OS   _O36    42     1.41248   110.43758  -178.32334
   43    42 S   CT   _C17    43     1.43729   108.30757    -0.50899
   44    43 S   HC   _H5_    44     1.09225   105.04903  -119.70404
   45    39 S   CT   _C18    45     1.50601   121.55489   -68.60770
   46    45 S   HC   _H6_    46     1.09702   107.96058    62.22787
   47    43 S   CT   _C16    60     1.55441   109.95737   120.92565
   48    47 S   HC   _H4_    61     1.09386   108.78269  -156.31350
   49    45 S   CT   _C9_    47     1.56164   113.21521   -57.47234
   50    49 S   HC   _H3_    48     1.09895   108.24364   -32.16653
   51    47 S   OH   _O38    62     1.42979   110.43977   -43.05601
   52    51 S   HO   _H20    63     0.97209   107.71764  -177.42633
   53    49 S   CT   _C10    49     1.55563   119.43323  -155.08520
   54    53 S   HC   _H14    50     1.09740   110.36527  -156.30815
   55    53 S   HC   _H15    51     1.09862   106.80989    89.81539
   56    49 S   OS   _O34    72     1.45805   106.23866    83.85159
   57    53 S   CM   _C11    52     1.51732   116.67727   -32.88334
   58    56 S   CO4  _C8_    73     1.36009   118.02891  -147.93250
   59    58 S   O    _O33    74     1.22234   126.05063    -0.93586
   60    57 S   CM   _C12    53     1.34627   117.50441   109.67291
   61    60 S   HC   _H16    54     1.08817   119.95905     3.51435
   62    57 S   CT   _C23    68     1.50172   116.46827   -66.30096
   63    62 S   HC   _H24    69     1.09518   109.80545   -57.23201
   64    62 S   HC   _H25    70     1.09246   113.04418  -176.66475
   65    62 S   HC   _H26    71     1.09334   111.11657    62.44047
   66    58 S   CM   _C6_    75     1.49351   109.33124   178.59919
   67    60 S   CO4  _C13    55     1.48285   124.13547  -160.17208
   68    67 S   O    _O35    56     1.22120   124.26921   -62.72676
   69    66 S   CM   _C5_    76     1.34609   115.74409  -158.34965
   70    69 S   HC   _H10    77     1.08937   119.32542     0.67493
   71    66 S   CT   _C7_    82     1.49957   118.14527    22.86734
   72    71 S   HC   _H11    83     1.09449   110.46049   -74.80209
   73    71 S   HC   _H12    84     1.09562   110.43989    45.19673
   74    71 S   HC   _H13    85     1.09241   113.08610   164.21006
   75    67 S   CM   _C14    57     1.49335   112.90602   121.54528
   76    75 S   HC   _H17    58     1.08590   114.74180   124.95945
   77    69 S   CT   _C4_    78     1.49503   127.41348   179.63738
   78    77 S   HC   _H7_    79     1.09464   109.50548  -123.48369
   79    77 S   HC   _H8_    80     1.09434   109.74257   118.02159
   80    77 S   HC   _H9_    81     1.09058   113.61465    -3.09914
   81    75 S   CM   _C15    59     1.35200   123.98660   -53.63387
   82    81 S   CT   _C22    64     1.50611   119.81293   174.42163
   83    82 S   HC   _H21    65     1.09438   110.83817   114.66421
   84    82 S   HC   _H22    66     1.09545   112.06539    -5.33634
   85    82 S   HC   _H23    67     1.09439   110.39136  -124.84531
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  14   7  13   5  12   5
  11   6   4   1  12   5   4   6   9   9   3  10   4   4   2   1
   1  10   5   3   9   5   4   2   1   1   6   2   3   2   1   1
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    53    47    56  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    81    47    48    51  
   44    45    46    49    50    53    75    81    47    48    51    52    82    56  
   45    46    49    81    47    48    51  
   46    49    50    53    54    55    57    81    47    48    51    56    58  
   49    50    53    47    56  
   48    51    52    82    83    84    85    49    67    75    76    81  
   51    52    82    75    81  
   50    53    54    55    57    60    62    56    58    59    66  
   53    54    55    57    56    58  
   52    82    75    81  
   81  
   54    55    57    60    61    67    62    63    64    65    56    58  
   55    57    60    62    56  
   57    60    62    56  
   58    59    66    69    71    57  
   60    61    67    68    75    62    63    64    65  
   59    66    69    70    77    71    72    73    74  
   66    69    71  
   61    67    68    75    76    81    62    63    64    65  
   67    68    75    62  
   63    64    65    67  
   64    65  
   65  
    0  
   69    70    77    78    79    80    71    72    73    74  
   68    75    76    81    82  
   75    76    81  
   70    77    78    79    80    71    72    73    74  
   77    78    79    80    71  
   72    73    74    77  
   73    74  
   74  
    0  
   76    81    82    83    84    85  
   81    82  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   549.000  1.340
   57    62   317.000  1.510
   60    61   340.000  1.080
   60    67   320.000  1.462
   67    68   570.000  1.229
   67    75   320.000  1.462
   75    76   340.000  1.080
   75    81   549.000  1.340
   81    47   317.000  1.510
   81    82   317.000  1.510
   47    48   340.000  1.090
   47    51   320.000  1.410
   51    52   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    66   320.000  1.462
   66    69   549.000  1.340
   66    71   317.000  1.510
   69    70   340.000  1.080
   69    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    81    70.00000  112.02700
   43    47    48    37.50000  110.70000
   43    47    51    50.00000  109.50000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    53    58.35000  112.70000
   45    49    56    50.00000  109.50000
   49    45    46    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    57    70.00000  112.02700
   49    56    58    83.00000  116.90000
   53    49    50    37.50000  110.70000
   53    57    60    70.00000  124.00000
   53    57    62    65.00000  117.92700
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    67    65.00000  118.96000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    35.00000  109.50000
   60    67    68    80.00000  123.72100
   60    67    75    65.00000  118.65900
   67    60    61    40.00000  117.72500
   67    75    76    40.00000  117.72500
   67    75    81    65.00000  118.96000
   75    67    68    80.00000  123.72100
   75    81    47    70.00000  124.00000
   75    81    82    70.00000  124.00000
   81    75    76    35.00000  120.00000
   81    47    48    35.00000  109.50000
   81    47    51    90.00000  110.39200
   81    82    83    35.00000  109.50000
   81    82    84    35.00000  109.50000
   81    82    85    35.00000  109.50000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    51    52    55.00000  108.50000
   51    47    48    35.00000  109.50000
   82    81    47    65.00000  117.92700
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   62    57    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   56    49    50    35.00000  109.50000
   56    49    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    66    90.00000  111.29400
   58    66    69    65.00000  118.96000
   58    66    71    65.00000  116.34900
   66    58    59    80.00000  123.72100
   66    69    70    35.00000  120.00000
   66    69    77    70.00000  124.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   69    77    78    35.00000  109.50000
   69    77    79    35.00000  109.50000
   69    77    80    35.00000  109.50000
   77    69    70    35.00000  117.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   71    66    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    53   0.34400  1.0 1.0
   39    45    49    53   0.09450 -1.0 2.0
   39    45    49    53   0.11100  1.0 3.0
   39    45    49    56   0.61850  1.0 1.0
   39    45    49    56  -0.22750 -1.0 2.0
   39    45    49    56   0.15300  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    81   0.61850  1.0 1.0
   42    43    47    81  -0.22750 -1.0 2.0
   42    43    47    81   0.15300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   42    43    47    51   3.69350  1.0 1.0
   42    43    47    51  -1.82950 -1.0 2.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    53   0.56750  1.0 1.0
   43    45    49    53  -0.07550 -1.0 2.0
   43    45    49    53   0.20000  1.0 3.0
   43    45    49    56   0.62750  1.0 1.0
   43    45    49    56  -0.30950 -1.0 2.0
   43    45    49    56   0.27300  1.0 3.0
   43    47    51    52  -0.11600  1.0 1.0
   43    47    51    52  -0.09450 -1.0 2.0
   43    47    51    52   0.21250  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    81   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.23400  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    81   0.34400  1.0 1.0
   45    43    47    81   0.09450 -1.0 2.0
   45    43    47    81   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    51   0.86500  1.0 1.0
   45    43    47    51  -0.17500 -1.0 2.0
   45    43    47    51   0.20800  1.0 3.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    55   0.15000  1.0 3.0
   45    49    53    57   0.34400  1.0 1.0
   45    49    53    57   0.09450 -1.0 2.0
   45    49    53    57   0.11100  1.0 3.0
   45    49    56    58  -0.25900  1.0 1.0
   45    49    56    58  -0.47000 -1.0 2.0
   45    49    56    58   0.11750  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    53   0.15000  1.0 3.0
   46    45    49    56   0.23400  1.0 3.0
   49    53    57    60   0.09850  1.0 1.0
   49    53    57    60   0.15250 -1.0 2.0
   49    53    57    60  -0.50650  1.0 3.0
   49    53    57    62   0.46850  1.0 1.0
   49    53    57    62   0.08550 -1.0 2.0
   49    53    57    62   0.09800  1.0 3.0
   49    56    58    59   3.00000 -1.0 2.0
   49    56    58    66   2.00000 -1.0 2.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   50    49    56    58   0.08050  1.0 3.0
   53    49    56    58  -0.25900  1.0 1.0
   53    49    56    58  -0.47000 -1.0 2.0
   53    49    56    58   0.11750  1.0 3.0
   53    57    60    61   7.00000 -1.0 2.0
   53    57    60    67   7.00000 -1.0 2.0
   53    57    62    63   0.34800  1.0 3.0
   53    57    62    64   0.34800  1.0 3.0
   53    57    62    65   0.34800  1.0 3.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    57    62   0.34800  1.0 3.0
   55    53    57    60   0.00000  1.0 1.0
   55    53    57    62   0.34800  1.0 3.0
   57    60    67    68   1.00000 -1.0 2.0
   57    60    67    75  -1.18350  1.0 1.0
   57    60    67    75   1.45950 -1.0 2.0
   60    57    62    63   0.00000  1.0 1.0
   60    57    62    64   0.00000  1.0 1.0
   60    57    62    65   0.00000  1.0 1.0
   60    67    75    76   0.93700 -1.0 2.0
   60    67    75    81  -1.18350  1.0 1.0
   60    67    75    81   1.45950 -1.0 2.0
   61    60    67    68   0.00000  1.0 1.0
   61    60    67    75   0.93700 -1.0 2.0
   67    75    81    47   7.00000 -1.0 2.0
   67    75    81    82   7.00000 -1.0 2.0
   68    67    75    76   0.00000  1.0 1.0
   68    67    75    81   1.00000 -1.0 2.0
   75    81    47    43   0.09850  1.0 1.0
   75    81    47    43   0.15250 -1.0 2.0
   75    81    47    43  -0.50650  1.0 3.0
   75    81    47    48   0.00000  1.0 1.0
   75    81    47    51   0.67800  1.0 1.0
   75    81    47    51   0.47050 -1.0 2.0
   75    81    47    51  -0.62500  1.0 3.0
   75    81    82    83   0.00000  1.0 1.0
   75    81    82    84   0.00000  1.0 1.0
   75    81    82    85   0.00000  1.0 1.0
   76    75    81    47   7.00000 -1.0 2.0
   76    75    81    82   7.00000 -1.0 2.0
   81    47    51    52  -0.07800  1.0 1.0
   81    47    51    52  -0.21500 -1.0 2.0
   81    47    51    52  -0.03150  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.56750  1.0 1.0
   47    43    45    49  -0.07550 -1.0 2.0
   47    43    45    49   0.20000  1.0 3.0
   47    81    82    83   0.34800  1.0 3.0
   47    81    82    84   0.34800  1.0 3.0
   47    81    82    85   0.34800  1.0 3.0
   48    47    51    52   0.19450  1.0 3.0
   82    81    47    43   0.46850  1.0 1.0
   82    81    47    43   0.08550 -1.0 2.0
   82    81    47    43   0.09800  1.0 3.0
   82    81    47    48   0.34800  1.0 3.0
   82    81    47    51   0.18000  1.0 1.0
   82    81    47    51   0.16450 -1.0 2.0
   82    81    47    51   0.04450  1.0 3.0
   62    57    60    61   7.00000 -1.0 2.0
   62    57    60    67   7.00000 -1.0 2.0
   56    49    53    54   0.23400  1.0 3.0
   56    49    53    55   0.23400  1.0 3.0
   56    49    53    57   0.61850  1.0 1.0
   56    49    53    57  -0.22750 -1.0 2.0
   56    49    53    57   0.15300  1.0 3.0
   56    58    66    69  -0.56150  1.0 1.0
   56    58    66    69   2.19150 -1.0 2.0
   56    58    66    71  -0.15000  1.0 1.0
   56    58    66    71   0.89550 -1.0 2.0
   56    58    66    71  -0.06900  1.0 3.0
   58    66    69    70   7.00000 -1.0 2.0
   58    66    69    77   7.00000 -1.0 2.0
   58    66    71    72   0.15000  1.0 3.0
   58    66    71    73   0.15000  1.0 3.0
   58    66    71    74   0.15000  1.0 3.0
   59    58    66    69   1.00000 -1.0 2.0
   59    58    66    71  -0.64400  1.0 1.0
   59    58    66    71   0.26850 -1.0 2.0
   66    69    77    78   0.00000  1.0 1.0
   66    69    77    79   0.00000  1.0 1.0
   66    69    77    80   0.00000  1.0 1.0
   69    66    71    72   0.00000  1.0 1.0
   69    66    71    73   0.00000  1.0 1.0
   69    66    71    74   0.00000  1.0 1.0
   70    69    77    78   0.33100  1.0 3.0
   70    69    77    79   0.33100  1.0 3.0
   70    69    77    80   0.33100  1.0 3.0
   71    66    69    70   7.00000 -1.0 2.0
   71    66    69    77   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
   37    30    36    38  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   53    62    57    60   1.10000 -1.0 2.0
   67    61    60    57   1.10000 -1.0 2.0
   60    75    67    68  10.50000 -1.0 2.0
   67    76    75    81   1.10000 -1.0 2.0
   47    82    81    75   1.10000 -1.0 2.0
   56    66    58    59  10.50000 -1.0 2.0
   58    71    66    69  15.00000 -1.0 2.0
   77    70    69    66  15.00000 -1.0 2.0
END
