* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    242     458
    1     0 S   NP   _N1_     1    29.49030    92.25743   -25.87961
    2     1 S   H    _HN1     2     1.02781   109.07832  -112.19038
    3     1 S   H    _H1_     3     1.02957   100.52599     1.56935
    4     1 S   H    _H2_     4     1.02839     6.72109   167.01312
    5     1 S   CT   _CA1     5     1.50112   115.43209   120.32982
    6     5 S   HC   _HA1     6     1.09567   105.25981    64.42179
    7     5 S   CO3  _C1_     7     1.53812   112.37604   -55.88839
    8     7 S   O2Z  _O11     8     1.26360   115.00802   -43.12994
    9     7 S   O2Z  _O12     9     1.26230   114.92968   136.06268
   10     5 S   CT   _CB1    10     1.53069   107.43631  -177.55495
   11    10 S   HC   HB11    11     1.09827   109.49340   -49.82878
   12    10 S   HC   HB12    12     1.09783   110.32027    66.69355
   13    10 S   CT   _CG1    13     1.53013   112.69969  -170.86137
   14    13 S   HC   HG11    14     1.09588   110.51682   -61.61589
   15    13 S   HC   HG12    15     1.09636   109.99879    57.71630
   16    13 S   C    _CD1    16     1.51743   112.18051   178.29486
   17    16 S   O    _OE1    17     1.22731   123.22599    -0.15451
   18    16 S   N    _N2_    18     1.38637   111.76762   179.53564
   19    18 S   H    _HN2    19     1.01568   119.09990     3.76213
   20    18 S   CT1  _CA2    20     1.46094   123.28375  -177.49243
   21    20 S   HC   _HA2    21     1.09606   109.21046     4.87588
   22    20 S   C    _C2_    22     1.53555   109.34883  -110.62723
   23    22 S   O    _O2_    23     1.23071   121.94494  -147.13329
   24    20 S   CT   _CB2    32     1.53453   111.61217   126.73942
   25    24 S   HC   HB21    33     1.09660   109.61414    65.99146
   26    24 S   HC   HB22    34     1.09581   110.72432  -176.81273
   27    22 S   N    _N3_    24     1.38413   113.80288    40.29978
   28    27 S   H    _HN3    25     1.01466   119.06291    -0.50046
   29    24 S   S    _SG2    35     1.82821   114.94369   -53.72029
   30    27 S   CT   _CA3    26     1.45471   123.57471   175.23741
   31    30 S   HC   HA31    27     1.09511   109.48285    20.37856
   32    30 S   HC   HA32    28     1.09505   107.08073   137.40383
   33    29 S   CT   _C22    36     1.82155   100.01047   -63.95524
   34    33 S   HC   _H22    37     1.09451   108.02987   -53.88030
   35    33 S   HC   _H23    38     1.09317   110.29356    62.91045
   36    30 S   CO3  _C3_    29     1.52900   112.85753  -103.25985
   37    36 S   O2Z  _O31    30     1.26424   115.28192   -47.97561
   38    36 S   O2Z  _O32    31     1.26335   115.06307   132.87637
   39    33 S   CM   _C20    39     1.50237   110.34495  -176.03444
   40    39 S   CMA  _C21    40     1.35008   126.87335   113.15884
   41    40 S   OM   _O36    41     1.26290   128.23948    -0.01978
   42    40 S   OS   _O35    42     1.41852   109.42354  -178.01446
   43    42 S   CT   _C14    43     1.44243   106.33356   -19.37901
   44    43 S   HC   _H6_    44     1.09996   106.59832   -89.19924
   45    39 S   CT   _C15    45     1.50251   122.34583   -65.50000
   46    45 S   HC   _H7_    46     1.09823   108.09108    79.46437
   47    43 S   CT   _C11    62     1.54126   109.69485   151.58517
   48    47 S   HC   _H5_    63     1.10032   108.42300   -57.52404
   49    45 S   CT   _C16    47     1.52898   115.32747   -43.55684
   50    49 S   HC   _H16    48     1.09566   109.54195    57.61601
   51    49 S   HC   _H17    49     1.09797   110.51635   -59.11825
   52    49 S   CT   _C17    50     1.52579   113.20562   176.98585
   53    52 S   HC   _H18    51     1.09736   110.00121   -60.76062
   54    52 S   HC   _H19    52     1.09796   107.95070  -174.87562
   55    52 S   CM   _C18    53     1.51315   113.75917    62.80386
   56    55 S   CT   _C10    54     1.52559   115.47638   -83.31127
   57    56 S   HC   _H4_    55     1.10057   104.89731   -46.25793
   58    55 S   CM   _C19    81     1.34363   118.47845   101.01976
   59    58 S   HC   _H20    82     1.08059   123.15839   176.86925
   60    58 S   HC   _H21    83     1.08596   121.01779    -2.82577
   61    56 S   CT   _C9_    56     1.54780   116.99807  -162.68124
   62    61 S   HC   _H12    57     1.09357   113.44260    25.15880
   63    61 S   HC   _H13    58     1.09921   108.36668   143.53494
   64    61 S   CT   _C8_    59     1.52442   106.14990   -99.64206
   65    64 S   HC   _H3_    60     1.09656   111.66326  -155.34803
   66    64 S   CM   _C12    61     1.49720   101.59824   -35.70574
   67    64 S   OS   _O34    67     1.43376   112.06018    79.45226
   68    66 S   CM   _C13    64     1.34052   122.93429  -144.57479
   69    68 S   HC   _H14    65     1.08492   121.13962    -4.77848
   70    68 S   HC   _H15    66     1.08448   121.52495   174.91978
   71    67 S   CO4  _C7_    68     1.36026   116.50548    88.15771
   72    71 S   O    _O33    69     1.21913   126.85473    -0.94004
   73    71 S   CM   _C6_    70     1.48192   107.09452   178.59891
   74    73 S   HC   _H11    71     1.08773   115.07589   -22.91218
   75    73 S   CM   _C5_    72     1.34538   125.36471   157.84845
   76    75 S   CT   _C4_    73     1.50697   119.82073   177.64965
   77    76 S   HC   _H8_    74     1.09498   110.31978   118.32139
   78    76 S   HC   _H9_    75     1.09521   112.43882    -1.84164
   79    76 S   HC   _H10    76     1.09504   110.16669  -121.83687
   80    75 S   CT   _C23    77     1.50334   126.10453    -3.19617
   81    80 S   HC   _H24    78     1.09454   110.15224   105.58901
   82    80 S   HC   _H25    79     1.09177   113.50184   -16.41718
   83    80 S   HC   _H26    80     1.09581   110.11916  -135.17691
  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  16   7  12   5  17   7
   8   5   4   9   4   3  10  12   6   3   1   1   8   5   4   9
   4   5   6   2   1   1   6   3  10   3   8   7   3   2   1   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    51    52    47  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    56    66    47    48  
   44    45    46    49    50    51    52    55    56    57    61    64    66    47    48    68  
   45    46    49    56    66    47    48  
   46    49    50    51    52    53    54    55    56    66    47    48  
   49    50    51    52    47  
   48    68    69    70    67    58    49    52    55    56    57    61    62    63    64    65    66  
   68    55    56    57    61    64    66  
   50    51    52    53    54    55    56    58  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    61    58    59    60  
   54    55    56    58  
   55    56    58  
   56    57    61    62    63    64    66    58    59    60  
   57    61    62    63    64    65    66    68    67    58    59    60  
   61    62    63    64    66    58  
   59    60    61  
   60  
    0  
   62    63    64    65    66    68    67    71  
   63    64    65    66    67  
   64    65    66    67  
   65    66    68    69    70    67    71    72    73  
   66    68    67    71  
   68    69    70    67    71  
   71    72    73    74    75    68  
   69    70  
   70  
    0  
   72    73    74    75    76    80  
   73    74    75  
   74    75    76    77    78    79    80    81    82    83  
   75    76    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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  -0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   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    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   317.000  1.510
   55    56   317.000  1.510
   55    58   549.000  1.340
   56    57   340.000  1.090
   56    61   268.000  1.529
   56    47   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   317.000  1.510
   64    67   320.000  1.410
   66    47   317.000  1.510
   66    68   549.000  1.340
   47    48   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   67    71   214.000  1.327
   71    72   570.000  1.229
   71    73   320.000  1.462
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   317.000  1.510
   75    80   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   58    59   340.000  1.080
   58    60   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    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    56    58.35000  112.70000
   43    47    66    70.00000  112.02700
   43    47    48    37.50000  110.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    52    58.35000  112.70000
   49    45    46    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    70.00000  112.02700
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    65.00000  117.92700
   52    55    58    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    56    57    35.00000  109.50000
   55    56    61    70.00000  112.02700
   55    56    47    70.00000  112.02700
   55    58    59    35.00000  120.00000
   55    58    60    35.00000  120.00000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    64    58.35000  112.70000
   56    47    66    70.00000  112.02700
   56    47    48    37.50000  110.70000
   61    56    57    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    70.00000  112.02700
   61    64    67    50.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    47    65.00000  117.92700
   64    66    68    70.00000  124.00000
   64    67    71    83.00000  116.90000
   66    64    65    35.00000  109.50000
   66    47    48    35.00000  109.50000
   66    68    69    35.00000  120.00000
   66    68    70    35.00000  120.00000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    56    57    37.50000  110.70000
   47    56    61    58.35000  112.70000
   68    66    47    70.00000  124.00000
   70    68    69    35.00000  117.00000
   67    64    65    35.00000  109.50000
   67    64    66    85.00000  110.90400
   67    71    72    83.00000  123.40000
   67    71    73    90.00000  111.29400
   71    73    74    40.00000  117.72500
   71    73    75    65.00000  118.96000
   73    71    72    80.00000  123.72100
   73    75    76    70.00000  124.00000
   73    75    80    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    65.00000  117.92700
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   58    55    56    70.00000  124.00000
   60    58    59    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    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    51   0.15000  1.0 3.0
   39    45    49    52   0.34400  1.0 1.0
   39    45    49    52   0.09450 -1.0 2.0
   39    45    49    52   0.11100  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    56   0.62750  1.0 1.0
   42    43    47    56  -0.30950 -1.0 2.0
   42    43    47    56   0.27300  1.0 3.0
   42    43    47    66   0.61850  1.0 1.0
   42    43    47    66  -0.22750 -1.0 2.0
   42    43    47    66   0.15300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    51   0.15000  1.0 3.0
   43    45    49    52   0.56750  1.0 1.0
   43    45    49    52  -0.07550 -1.0 2.0
   43    45    49    52   0.20000  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    56   0.15000  1.0 3.0
   44    43    47    66   0.15000  1.0 3.0
   44    43    47    48   0.15000  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    56   0.56750  1.0 1.0
   45    43    47    56  -0.07550 -1.0 2.0
   45    43    47    56   0.20000  1.0 3.0
   45    43    47    66   0.34400  1.0 1.0
   45    43    47    66   0.09450 -1.0 2.0
   45    43    47    66   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    52    53   0.15000  1.0 3.0
   45    49    52    54   0.15000  1.0 3.0
   45    49    52    55   0.34400  1.0 1.0
   45    49    52    55   0.09450 -1.0 2.0
   45    49    52    55   0.11100  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   49    52    55    56   0.46850  1.0 1.0
   49    52    55    56   0.08550 -1.0 2.0
   49    52    55    56   0.09800  1.0 3.0
   49    52    55    58   0.09850  1.0 1.0
   49    52    55    58   0.15250 -1.0 2.0
   49    52    55    58  -0.50650  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    56    57   0.34800  1.0 3.0
   52    55    56    61   0.46850  1.0 1.0
   52    55    56    61   0.08550 -1.0 2.0
   52    55    56    61   0.09800  1.0 3.0
   52    55    56    47   0.46850  1.0 1.0
   52    55    56    47   0.08550 -1.0 2.0
   52    55    56    47   0.09800  1.0 3.0
   52    55    58    59   7.00000 -1.0 2.0
   52    55    58    60   7.00000 -1.0 2.0
   53    52    55    56   0.34800  1.0 3.0
   53    52    55    58   0.00000  1.0 1.0
   54    52    55    56   0.34800  1.0 3.0
   54    52    55    58   0.00000  1.0 1.0
   55    56    61    62   0.15000  1.0 3.0
   55    56    61    63   0.15000  1.0 3.0
   55    56    61    64   0.34400  1.0 1.0
   55    56    61    64   0.09450 -1.0 2.0
   55    56    61    64   0.11100  1.0 3.0
   55    56    47    43   0.34400  1.0 1.0
   55    56    47    43   0.09450 -1.0 2.0
   55    56    47    43   0.11100  1.0 3.0
   55    56    47    66   0.31000  1.0 1.0
   55    56    47    66   0.14700 -1.0 2.0
   55    56    47    66   0.07550  1.0 3.0
   55    56    47    48   0.15000  1.0 3.0
   56    55    58    59   7.00000 -1.0 2.0
   56    55    58    60   7.00000 -1.0 2.0
   56    61    64    65   0.15000  1.0 3.0
   56    61   -64    66   0.34400  1.0 1.0
   56    61   -64    66   0.09450 -1.0 2.0
   56    61   -64    66   0.11100  1.0 3.0
   56    61    64    67   0.62750  1.0 1.0
   56    61    64    67  -0.30950 -1.0 2.0
   56    61    64    67   0.27300  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    64   0.15000  1.0 3.0
   57    56    47    43   0.15000  1.0 3.0
   57    56    47    66   0.15000  1.0 3.0
   57    56    47    48   0.15000  1.0 3.0
   61    56    47    43   0.56750  1.0 1.0
   61    56    47    43  -0.07550 -1.0 2.0
   61    56    47    43   0.20000  1.0 3.0
   61    56   -47    66   0.34400  1.0 1.0
   61    56   -47    66   0.09450 -1.0 2.0
   61    56   -47    66   0.11100  1.0 3.0
   61    56    47    48   0.15000  1.0 3.0
   61    64   -66    47   0.46850  1.0 1.0
   61    64   -66    47   0.08550 -1.0 2.0
   61    64   -66    47   0.09800  1.0 3.0
   61    64    66    68   0.09850  1.0 1.0
   61    64    66    68   0.15250 -1.0 2.0
   61    64    66    68  -0.50650  1.0 3.0
   61    64    67    71  -0.25900  1.0 1.0
   61    64    67    71  -0.47000 -1.0 2.0
   61    64    67    71   0.11750  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.23400  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.23400  1.0 3.0
   64    66    47    43   0.46850  1.0 1.0
   64    66    47    43   0.08550 -1.0 2.0
   64    66    47    43   0.09800  1.0 3.0
   64    66   -47    56   0.46850  1.0 1.0
   64    66   -47    56   0.08550 -1.0 2.0
   64    66   -47    56   0.09800  1.0 3.0
   64    66    47    48   0.34800  1.0 3.0
   64    66    68    69   7.00000 -1.0 2.0
   64    66    68    70   7.00000 -1.0 2.0
   64    67    71    72   3.00000 -1.0 2.0
   64    67    71    73   2.00000 -1.0 2.0
   65    64    66    47   0.34800  1.0 3.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    67    71   0.08050  1.0 3.0
   66    64    67    71  -0.82050  1.0 1.0
   66    64    67    71   0.00600 -1.0 2.0
   66    64    67    71   0.04400  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    56    61    62   0.15000  1.0 3.0
   47    56    61    63   0.15000  1.0 3.0
   47    56   -61    64   0.56750  1.0 1.0
   47    56   -61    64  -0.07550 -1.0 2.0
   47    56   -61    64   0.20000  1.0 3.0
   47    66    68    69   7.00000 -1.0 2.0
   47    66    68    70   7.00000 -1.0 2.0
   68    66    47    43   0.09850  1.0 1.0
   68    66    47    43   0.15250 -1.0 2.0
   68    66    47    43  -0.50650  1.0 3.0
   68    66    47    56   0.09850  1.0 1.0
   68    66    47    56   0.15250 -1.0 2.0
   68    66    47    56  -0.50650  1.0 3.0
   68    66    47    48   0.00000  1.0 1.0
   67    64    66    47   0.09700  1.0 1.0
   67    64    66    47   0.15600 -1.0 2.0
   67    64    66    47  -0.50800  1.0 3.0
   67    64    66    68   0.39000  1.0 1.0
   67    64    66    68  -0.05800 -1.0 2.0
   67    64    66    68  -0.55150  1.0 3.0
   67    71    73    74   1.63100 -1.0 2.0
   67    71    73    75  -0.56150  1.0 1.0
   67    71    73    75   2.19150 -1.0 2.0
   71    73    75    76   7.00000 -1.0 2.0
   71    73    75    80   7.00000 -1.0 2.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   1.00000 -1.0 2.0
   73    75    76    77   0.00000  1.0 1.0
   73    75    76    78   0.00000  1.0 1.0
   73    75    76    79   0.00000  1.0 1.0
   73    75    80    81   0.00000  1.0 1.0
   73    75    80    82   0.00000  1.0 1.0
   73    75    80    83   0.00000  1.0 1.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    80   7.00000 -1.0 2.0
   76    75    80    81   0.34800  1.0 3.0
   76    75    80    82   0.34800  1.0 3.0
   76    75    80    83   0.34800  1.0 3.0
   80    75    76    77   0.34800  1.0 3.0
   80    75    76    78   0.34800  1.0 3.0
   80    75    76    79   0.34800  1.0 3.0
   58    55    56    57   0.00000  1.0 1.0
   58    55    56    61   0.09850  1.0 1.0
   58    55    56    61   0.15250 -1.0 2.0
   58    55    56    61  -0.50650  1.0 3.0
   58    55    56    47   0.09850  1.0 1.0
   58    55    56    47   0.15250 -1.0 2.0
   58    55    56    47  -0.50650  1.0 3.0
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
   52    56    55    58   1.10000 -1.0 2.0
   64    47    66    68   1.10000 -1.0 2.0
   69    70    68    66   1.10000 -1.0 2.0
   67    73    71    72  10.50000 -1.0 2.0
   71    74    73    75  15.00000 -1.0 2.0
   76    80    75    73  15.00000 -1.0 2.0
   59    60    58    55   1.10000 -1.0 2.0
END
