* LIGAND DATABASE FILE (OPLS2005)
*
001      92    95    176    280     519
    1     0 S   NP   _N1_     1    28.94914    93.37223   -20.48547
    2     1 S   H    _HN1     2     1.02779    95.06861   -62.78947
    3     1 S   H    _H1_     3     1.02956    95.55823    46.25549
    4     1 S   H    _H2_     4     1.02834    21.74573   169.52069
    5     1 S   CT   _CA1     5     1.50157   132.47725   170.54262
    6     5 S   HC   _HA1     6     1.09597   105.08877    58.50580
    7     5 S   CO3  _C1_     7     1.53684   112.60349   -61.21093
    8     7 S   O2Z  _O11     8     1.26349   115.00765   -39.48664
    9     7 S   O2Z  _O12     9     1.26256   114.93880   139.64462
   10     5 S   CT   _CB1    10     1.53156   107.38438   176.07454
   11    10 S   HC   HB11    11     1.09787   108.73741   -52.69963
   12    10 S   HC   HB12    12     1.09805   110.62336    63.66628
   13    10 S   CT   _CG1    13     1.52993   112.73933  -174.16474
   14    13 S   HC   HG11    14     1.09607   110.16359   -71.33580
   15    13 S   HC   HG12    15     1.09622   109.79661    47.73208
   16    13 S   C    _CD1    16     1.51815   112.83178   166.83124
   17    16 S   O    _OE1    17     1.22747   123.10186   -13.55047
   18    16 S   N    _N2_    18     1.38639   111.80786   168.64544
   19    18 S   H    _HN2    19     1.01623   119.10167    -3.27638
   20    18 S   CT1  _CA2    20     1.46289   123.32189   176.16789
   21    20 S   HC   _HA2    21     1.09729   109.30446   -15.24562
   22    20 S   C    _C2_    22     1.53524   107.77236  -130.73769
   23    22 S   O    _O2_    23     1.23008   122.40804  -144.91236
   24    20 S   CT   _CB2    32     1.53291   111.92316   107.21406
   25    24 S   HC   HB21    33     1.09418   109.40070    57.01434
   26    24 S   HC   HB22    34     1.09532   110.52896   174.73538
   27    22 S   N    _N3_    24     1.38551   113.30574    42.38803
   28    27 S   H    _HN3    25     1.01518   118.89919    -0.61644
   29    24 S   S    _SG2    35     1.83012   112.04633   -66.18144
   30    27 S   CT   _CA3    26     1.45406   123.37224   175.44813
   31    30 S   HC   HA31    27     1.09521   109.06432    27.95270
   32    30 S   HC   HA32    28     1.09487   107.14786   144.94818
   33    29 S   CT   _C23    36     1.84439    99.87822   145.66638
   34    33 S   HC   _H4_    37     1.09567   105.30103    46.86008
   35    30 S   CO3  _C3_    29     1.52892   113.28703   -95.46552
   36    35 S   O2Z  _O31    30     1.26393   115.47300   -43.11042
   37    35 S   O2Z  _O32    31     1.26366   114.93299   137.87922
   38    33 S   C5A  _C22    38     1.49226   109.93985   -70.74225
   39    33 S   CM   _C24    88     1.50480   108.55901   163.58615
   40    39 S   HC   _H22    89     1.09044   117.85063    41.09395
   41    38 S   C5BC _C21    39     1.38301   132.23879   113.06471
   42    41 S   HA   _H21    40     1.08071   125.45016     1.50766
   43    39 S   CMA  _C25    90     1.51656   122.44012  -142.76213
   44    43 S   OM   _O34    91     1.26218   119.41446   175.43717
   45    43 S   OM   _O35    92     1.26217   122.18393    -4.89613
   46    41 S   C5BC _C20    41     1.41728   106.62912  -176.61014
   47    46 S   C5A  _C19    42     1.37646   105.13453    -3.01649
   48    47 S   CT   _C18    43     1.47428   128.14456  -176.09124
   49    48 S   HC   _H19    44     1.09589   109.18449    99.56967
   50    48 S   HC   _H20    45     1.09440   111.05864  -141.75540
   51    38 S   OA   _O33    87     1.36908   117.61872   -66.14293
   52    48 S   CT   _C17    46     1.53644   108.95705   -20.13115
   53    52 S   HC   _H17    47     1.09642   109.24016   165.32494
   54    52 S   HC   _H18    48     1.09319   108.61804   -79.38053
   55    52 S   CT   _C16    49     1.54857   113.42123    42.97679
   56    55 S   HC   _H15    50     1.09936   106.48530    67.02487
   57    55 S   HC   _H16    51     1.09659   109.88213  -178.56742
   58    46 S   CT   _C15    52     1.49630   132.12716   178.91178
   59    58 S   HC   _H3_    53     1.09911   108.87001    53.54671
   60    58 S   CA   _C13    54     1.52063   105.59214   -61.71446
   61    60 S   CA   _C12    55     1.39874   118.95140    86.69615
   62    61 S   HA   _H13    56     1.08800   120.35811     1.72136
   63    61 S   CA   _C11    57     1.39504   121.06295  -176.97761
   64    63 S   HA   _H12    58     1.08721   117.54973   179.27180
   65    63 S   CA   _C10    59     1.40804   121.75662    -0.68899
   66    65 S   CA   _C9_    60     1.41272   118.18966    -2.82563
   67    60 S   CA   _C14    61     1.40071   123.79327   -92.65916
   68    67 S   HA   _H14    62     1.08347   118.93375    -0.96489
   69    66 S   CT   _C8_    63     1.53539   122.28907  -177.22533
   70    69 S   CT   _C7_    64     1.54482   111.73662    13.78680
   71    70 S   HC   _H10    65     1.09775   110.17355  -166.67047
   72    70 S   HC   _H11    66     1.09731   110.35233    76.94870
   73    69 S   CT   _C26    79     1.54768   111.71721   132.86444
   74    73 S   HC   _H23    80     1.09659   110.90304  -174.18655
   75    73 S   HC   _H24    81     1.09506   112.61162    66.38167
   76    73 S   HC   _H25    82     1.09643   111.15279   -54.31248
   77    69 S   CT   _C27    83     1.54307   108.76977  -107.63750
   78    77 S   HC   _H26    84     1.09581   111.29831   175.76035
   79    77 S   HC   _H27    85     1.09467   111.99409    54.86144
   80    77 S   HC   _H28    86     1.09509   111.22244   -64.78388
   81    70 S   CT   _C6_    67     1.51897   111.91090   -44.94043
   82    81 S   HC   _H8_    68     1.09769   109.26515  -175.05454
   83    81 S   HC   _H9_    69     1.09680   109.19714   -59.81155
   84    65 S   CT   _C5_    70     1.53305   119.20754   178.49819
   85    84 S   CT   _C4_    71     1.54453   108.88945    71.22141
   86    85 S   HC   _H5_    72     1.09598   111.13597   176.19769
   87    85 S   HC   _H6_    73     1.09545   111.98016    55.50384
   88    85 S   HC   _H7_    74     1.09640   111.57738   -64.22633
   89    84 S   CT   _C28    75     1.54760   111.59922   -48.39348
   90    89 S   HC   _H29    76     1.09654   110.93836  -173.92214
   91    89 S   HC   _H30    77     1.09508   112.50778    66.60492
   92    89 S   HC   _H31    78     1.09651   111.16884   -54.02006
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  12   6   2   1   1  10   6   3   9   4   2   1   1  14  11  10
   6   5   2   8   5   4   7   4   3   8   3   9   8   4   9   3
  19  18   6   1  15  16   7   6   8   3   2   1   4   2   1   1
  11   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    51    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    47    51    39    40    43    44    45  
   38    41    51    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    48    58    51    39    40    43  
   40    43    44    45    41    51  
   43    44    45  
   42    46    47    48    55    58    59    60    51  
   46    47    58    51  
   44    45  
   45  
    0  
   47    48    49    50    52    55    56    57    58    59    60    61    67    51  
   48    49    50    52    53    54    55    58    59    60    51  
   49    50    52    53    54    55    56    57    58    51  
   50    52    53    54    55    51  
   52    53    54    55    51  
   52    58  
   53    54    55    56    57    58    59    60  
   54    55    56    57    58  
   55    56    57    58  
   56    57    58    59    60    61    67  
   57    58    59    60  
   58    59    60  
   59    60    61    62    63    66    67    68  
   60    61    67  
   61    62    63    64    65    66    67    68    69  
   62    63    64    65    66    67    68    84  
   63    64    65    67  
   64    65    66    67    69    81    84    85    89  
   65    66    84  
   66    67    68    69    70    81    82    83    84    85    86    87    88    89    90    91    92    73    77  
   67    68    69    70    71    72    81    84    85    89    73    74    75    76    77    78    79    80  
   68    69    70    84    73    77  
   69  
   70    71    72    81    82    83    84    73    74    75    76    77    78    79    80  
   71    72    81    82    83    84    85    89    73    74    75    76    77    78    79    80  
   72    81    82    83    84    73    77  
   81    82    83    84    73    77  
   74    75    76    77    78    79    80    81  
   75    76    77  
   76    77  
   77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89    90    91    92  
   83    84    85    89  
   84    85    89  
   85    86    87    88    89    90    91    92  
   86    87    88    89    90    91    92  
   87    88    89  
   88    89  
   89  
   90    91    92  
   91    92  
   92  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.143000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.008000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   84   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   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    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   295.000  1.489
   33    39   317.000  1.510
   38    41   546.000  1.367
   38    51   340.000  1.360
   41    42   367.000  1.080
   41    46   469.000  1.424
   46    47   546.000  1.367
   46    58   285.000  1.502
   47    48   295.000  1.489
   47    51   340.000  1.360
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   317.000  1.510
   60    61   469.000  1.400
   60    67   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    84   317.000  1.510
   66    67   469.000  1.400
   66    69   317.000  1.510
   67    68   367.000  1.080
   69    70   268.000  1.529
   69    73   268.000  1.529
   69    77   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   268.000  1.529
   84    89   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   745.000  1.250
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    50.00000  133.50000
   33    38    51    80.00000  116.10000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    45.00000  110.47400
   38    41    42    35.00000  125.70000
   38    41    46    70.00000  107.30000
   38    51    47    70.00000  106.50000
   41    46    47    70.00000  107.30000
   41    46    58    60.00000  130.00000
   46    41    42    35.00000  127.50000
   46    47    48    50.00000  133.50000
   46    47    51    70.00000  110.60000
   46    58    55    70.00000  112.17500
   46    58    59    35.00000  109.50000
   46    58    60    70.00000  112.04700
   47    48    49    45.00000  110.47400
   47    48    50    45.00000  110.47400
   47    48    52    70.00000  113.44400
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    70.00000  112.17500
   57    55    56    33.00000  107.80000
   58    46    47    60.00000  130.00000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    60    61    70.00000  120.00000
   58    60    67    70.00000  120.00000
   60    58    59    35.00000  109.50000
   60    61    62    35.00000  120.00000
   60    61    63    63.00000  120.00000
   60    67    66    63.00000  120.00000
   60    67    68    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    63.00000  120.00000
   63    65    84    70.00000  120.00000
   65    63    64    35.00000  120.00000
   65    66    67    63.00000  120.00000
   65    66    69    70.00000  120.00000
   65    84    81    70.00000  112.17500
   65    84    85    70.00000  112.17500
   65    84    89    70.00000  112.17500
   66    67    68    35.00000  120.00000
   66    69    70    70.00000  112.17500
   66    69    73    70.00000  112.17500
   66    69    77    70.00000  112.17500
   67    60    61    63.00000  120.00000
   69    66    67    70.00000  120.00000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   69    70    81    58.35000  112.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   70    81    82    37.50000  110.70000
   70    81    83    37.50000  110.70000
   70    81    84    58.35000  112.70000
   72    70    71    33.00000  107.80000
   81    70    71    37.50000  110.70000
   81    70    72    37.50000  110.70000
   81    84    85    58.35000  112.70000
   81    84    89    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    65    66    70.00000  120.00000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    85    86    37.50000  110.70000
   84    85    87    37.50000  110.70000
   84    85    88    37.50000  110.70000
   84    89    90    37.50000  110.70000
   84    89    91    37.50000  110.70000
   84    89    92    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    84    85    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   73    69    70    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    69    70    58.35000  112.70000
   77    69    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   51    38    41    70.00000  110.60000
   51    47    48    80.00000  116.10000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.40000
   39    43    44    65.00000  137.10300
   39    43    45    65.00000  137.10300
   43    39    40    40.00000  120.50800
   45    43    44    65.00000  121.00000
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    51   0.04300 -1.0 2.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    51    47   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    51   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41   -46    47   3.62500 -1.0 2.0
   38    41    46    58   3.62500 -1.0 2.0
   41    38   -51    47   3.62500 -1.0 2.0
   41    46    47    48   3.62500 -1.0 2.0
   41    46   -47    51   3.62500 -1.0 2.0
   41    46    58    55   0.04150 -1.0 2.0
   41    46    58    59   0.00000  1.0 1.0
   41    46    58    60   0.04300 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    58   3.62500 -1.0 2.0
   46    47    48    49   0.00000  1.0 1.0
   46    47    48    50   0.00000  1.0 1.0
   46    47    48    52   0.04150 -1.0 2.0
   46    47   -51    38   3.62500 -1.0 2.0
   46    58    60    61   0.04300 -1.0 2.0
   46    58    60    67   0.04300 -1.0 2.0
   47    46    58    55   0.04150 -1.0 2.0
   47    46    58    59   0.00000  1.0 1.0
   47    46    58    60   0.04300 -1.0 2.0
   47    48    52    53   0.43200  1.0 3.0
   47    48    52    54   0.43200  1.0 3.0
   47    48   -52    55  -0.03700  1.0 1.0
   47    48   -52    55   0.37200 -1.0 2.0
   47    48   -52    55  -0.47300  1.0 3.0
   48    47    51    38   3.62500 -1.0 2.0
   48    52    55    56   0.15000  1.0 3.0
   48    52    55    57   0.15000  1.0 3.0
   48    52    55    58   0.56750  1.0 1.0
   48    52    55    58  -0.07550 -1.0 2.0
   48    52    55    58   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    55   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    54   0.15000  1.0 3.0
   50    48    52    55   0.15000  1.0 3.0
   52    55   -58    46  -0.03700  1.0 1.0
   52    55   -58    46   0.37200 -1.0 2.0
   52    55   -58    46  -0.47300  1.0 3.0
   52    55    58    59   0.15000  1.0 3.0
   52    55    58    60  -0.03700  1.0 1.0
   52    55    58    60   0.37200 -1.0 2.0
   52    55    58    60  -0.47300  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    60    61   0.04150 -1.0 2.0
   55    58    60    67   0.04150 -1.0 2.0
   56    55    58    46   0.43200  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.43200  1.0 3.0
   57    55    58    46   0.43200  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.43200  1.0 3.0
   58    46   -47    48   3.62500 -1.0 2.0
   58    46    47    51   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60    61    63   3.62500 -1.0 2.0
   58    60    67    66   3.62500 -1.0 2.0
   58    60    67    68   3.62500 -1.0 2.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    67   0.00000  1.0 1.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    65   3.62500 -1.0 2.0
   61    60    67    66   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    63   -65    66   3.62500 -1.0 2.0
   61    63    65    84   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65    66    69   3.62500 -1.0 2.0
   63    65    84    81   0.04150 -1.0 2.0
   63    65    84    85   0.04150 -1.0 2.0
   63    65    84    89   0.04150 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    84   3.62500 -1.0 2.0
   65    66   -67    60   3.62500 -1.0 2.0
   65    66    67    68   3.62500 -1.0 2.0
   65    66    69    70   0.04150 -1.0 2.0
   65    66    69    73   0.04150 -1.0 2.0
   65    66    69    77   0.04150 -1.0 2.0
   65    84    85    86   0.43200  1.0 3.0
   65    84    85    87   0.43200  1.0 3.0
   65    84    85    88   0.43200  1.0 3.0
   65    84    89    90   0.43200  1.0 3.0
   65    84    89    91   0.43200  1.0 3.0
   65    84    89    92   0.43200  1.0 3.0
   66    65    84    81   0.04150 -1.0 2.0
   66    65    84    85   0.04150 -1.0 2.0
   66    65    84    89   0.04150 -1.0 2.0
   66    69    70    71   0.43200  1.0 3.0
   66    69    70    72   0.43200  1.0 3.0
   66    69   -70    81  -0.03700  1.0 1.0
   66    69   -70    81   0.37200 -1.0 2.0
   66    69   -70    81  -0.47300  1.0 3.0
   66    69    73    74   0.43200  1.0 3.0
   66    69    73    75   0.43200  1.0 3.0
   66    69    73    76   0.43200  1.0 3.0
   66    69    77    78   0.43200  1.0 3.0
   66    69    77    79   0.43200  1.0 3.0
   66    69    77    80   0.43200  1.0 3.0
   67    60    61    62   3.62500 -1.0 2.0
   67    60   -61    63   3.62500 -1.0 2.0
   67    66    69    70   0.04150 -1.0 2.0
   67    66    69    73   0.04150 -1.0 2.0
   67    66    69    77   0.04150 -1.0 2.0
   69    66    67    60   3.62500 -1.0 2.0
   69    66    67    68   3.62500 -1.0 2.0
   69    70    81    82   0.15000  1.0 3.0
   69    70    81    83   0.15000  1.0 3.0
   69    70    81    84   0.56750  1.0 1.0
   69    70    81    84  -0.07550 -1.0 2.0
   69    70    81    84   0.20000  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    76   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    80   0.15000  1.0 3.0
   70    81   -84    65  -0.03700  1.0 1.0
   70    81   -84    65   0.37200 -1.0 2.0
   70    81   -84    65  -0.47300  1.0 3.0
   70    81    84    85   0.56750  1.0 1.0
   70    81    84    85  -0.07550 -1.0 2.0
   70    81    84    85   0.20000  1.0 3.0
   70    81    84    89   0.56750  1.0 1.0
   70    81    84    89  -0.07550 -1.0 2.0
   70    81    84    89   0.20000  1.0 3.0
   71    70    81    82   0.15000  1.0 3.0
   71    70    81    83   0.15000  1.0 3.0
   71    70    81    84   0.15000  1.0 3.0
   72    70    81    82   0.15000  1.0 3.0
   72    70    81    83   0.15000  1.0 3.0
   72    70    81    84   0.15000  1.0 3.0
   81    84    85    86   0.15000  1.0 3.0
   81    84    85    87   0.15000  1.0 3.0
   81    84    85    88   0.15000  1.0 3.0
   81    84    89    90   0.15000  1.0 3.0
   81    84    89    91   0.15000  1.0 3.0
   81    84    89    92   0.15000  1.0 3.0
   82    81    84    65   0.43200  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    89   0.15000  1.0 3.0
   83    81    84    65   0.43200  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    89   0.15000  1.0 3.0
   84    65    66    67   3.62500 -1.0 2.0
   84    65   -66    69   3.62500 -1.0 2.0
   85    84    89    90   0.15000  1.0 3.0
   85    84    89    91   0.15000  1.0 3.0
   85    84    89    92   0.15000  1.0 3.0
   89    84    85    86   0.15000  1.0 3.0
   89    84    85    87   0.15000  1.0 3.0
   89    84    85    88   0.15000  1.0 3.0
   73    69    70    71   0.15000  1.0 3.0
   73    69    70    72   0.15000  1.0 3.0
   73    69    70    81   0.56750  1.0 1.0
   73    69    70    81  -0.07550 -1.0 2.0
   73    69    70    81   0.20000  1.0 3.0
   73    69    77    78   0.15000  1.0 3.0
   73    69    77    79   0.15000  1.0 3.0
   73    69    77    80   0.15000  1.0 3.0
   77    69    70    71   0.15000  1.0 3.0
   77    69    70    72   0.15000  1.0 3.0
   77    69    70    81   0.56750  1.0 1.0
   77    69    70    81  -0.07550 -1.0 2.0
   77    69    70    81   0.20000  1.0 3.0
   77    69    73    74   0.15000  1.0 3.0
   77    69    73    75   0.15000  1.0 3.0
   77    69    73    76   0.15000  1.0 3.0
   51    38    41    42   3.62500 -1.0 2.0
   51    38   -41    46   3.62500 -1.0 2.0
   51    47    48    49   0.00000  1.0 1.0
   51    47    48    50   0.00000  1.0 1.0
   51    47    48    52   0.38650  1.0 1.0
   51    47    48    52  -0.24750 -1.0 2.0
   51    47    48    52   0.76750  1.0 3.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    51   0.04300 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    45   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
   41    51    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   47    58    46    41   4.00000 -1.0 2.0
   48    51    47    46   4.00000 -1.0 2.0
   61    67    60    58   4.00000 -1.0 2.0
   63    62    61    60   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   66    84    65    63   4.00000 -1.0 2.0
   67    69    66    65   4.00000 -1.0 2.0
   66    68    67    60   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
