* LIGAND DATABASE FILE (OPLS2005)
*
001      97    98    173    266     508
    1     0 S   NP   _N1_     1    28.64283    95.69177   -20.70336
    2     1 S   H    _HN1     2     1.02777    85.50892   -89.95586
    3     1 S   H    _H1_     3     1.02963    87.29127    18.66518
    4     1 S   H    _H2_     4     1.02836    37.04707   142.04705
    5     1 S   CT   _CA1     5     1.50122   147.79026   144.06543
    6     5 S   HC   _HA1     6     1.09569   105.27462    57.95562
    7     5 S   CO3  _C1_     7     1.53839   112.23976   -62.34903
    8     7 S   O2Z  _O11     8     1.26352   114.98243   -45.70466
    9     7 S   O2Z  _O12     9     1.26232   114.92715   133.41226
   10     5 S   CT   _CB1    10     1.53098   107.41667   175.92951
   11    10 S   HC   HB11    11     1.09824   109.51029   -49.94332
   12    10 S   HC   HB12    12     1.09824   110.32906    66.63047
   13    10 S   CT   _CG1    13     1.53018   112.65320  -171.01264
   14    13 S   HC   HG11    14     1.09599   110.39653   -60.42308
   15    13 S   HC   HG12    15     1.09633   110.08136    58.80698
   16    13 S   C    _CD1    16     1.51826   112.21484   179.25664
   17    16 S   O    _OE1    17     1.22728   123.23863    -5.69884
   18    16 S   N    _N2_    18     1.38627   111.66478   174.28529
   19    18 S   H    _HN2    19     1.01584   119.04901     2.33389
   20    18 S   CT1  _CA2    20     1.46286   123.38272  -176.74514
   21    20 S   HC   _HA2    21     1.09728   109.38962   -10.02427
   22    20 S   C    _C2_    22     1.53381   108.59003  -125.87159
   23    22 S   O    _O2_    23     1.23018   122.18700  -146.59088
   24    20 S   CT   _CB2    32     1.53493   111.16898   111.83087
   25    24 S   HC   HB21    33     1.09579   109.52893    56.87334
   26    24 S   HC   HB22    34     1.09481   110.62200   175.67663
   27    22 S   N    _N3_    24     1.38492   113.41908    40.83241
   28    27 S   H    _HN3    25     1.01524   118.90740    -0.68643
   29    24 S   S    _SG2    35     1.82851   111.44155   -64.39655
   30    27 S   CT   _CA3    26     1.45456   123.50128   175.09008
   31    30 S   HC   HA31    27     1.09519   109.30231    23.12221
   32    30 S   HC   HA32    28     1.09497   107.10624   140.13731
   33    29 S   CT   _C16    36     1.83744    99.73086   155.51733
   34    33 S   HC   _H5_    37     1.09629   108.06259   -42.88977
   35    30 S   CO3  _C3_    29     1.52922   113.06862  -100.40019
   36    35 S   O2Z  _O31    30     1.26405   115.38467   -44.80204
   37    35 S   O2Z  _O32    31     1.26352   114.99463   136.12003
   38    33 S   CM   _C15    38     1.51088   106.79656  -160.78182
   39    38 S   HC   _H24    39     1.08735   116.42854   -67.91547
   40    33 S   CT   _C17    71     1.53195   110.40602    77.87238
   41    40 S   HC   _H25    72     1.09696   111.91160   -48.33322
   42    40 S   HC   _H26    73     1.09600   110.97271    70.42333
   43    38 S   CM   _C14    40     1.34374   123.20495   112.58777
   44    43 S   HC   _H23    41     1.08953   117.44637    -0.58350
   45    40 S   CO4  _C18    74     1.52029   110.86460  -166.46282
   46    45 S   O    _O33    75     1.23052   121.20262    73.27682
   47    43 S   CM   _C12    42     1.46339   126.83267   179.32449
   48    45 S   CM   _C19    76     1.49964   117.46151  -106.30015
   49    47 S   CM   _C11    43     1.34976   118.30704   177.19600
   50    49 S   HC   _H19    44     1.09132   118.06720     0.91450
   51    47 S   CT   _C13    67     1.50569   117.57614    -3.55760
   52    51 S   HC   _H20    68     1.09542   110.47686    66.16480
   53    51 S   HC   _H21    69     1.09603   110.60953   -54.26069
   54    51 S   HC   _H22    70     1.09175   113.61403  -173.26612
   55    48 S   CMA  _C20    77     1.35824   118.83621   120.40120
   56    55 S   OM   _O36    78     1.26370   130.68981     1.75234
   57    49 S   CT   _C9_    45     1.51208   128.50256  -178.41885
   58    57 S   HC   _H4_    46     1.09248   111.59892     8.38410
   59    55 S   CM   _C21    79     1.48856   117.81435  -176.99880
   60    57 S   CT   _C10    47     1.53207   109.04738  -109.57259
   61    60 S   HC   _H16    48     1.09597   111.65967   -61.12101
   62    60 S   HC   _H17    49     1.09536   110.69921   178.67781
   63    60 S   HC   _H18    50     1.09531   110.91413    59.24461
   64    57 S   CT   _C8_    51     1.54662   111.34576   129.07763
   65    64 S   HC   _H14    52     1.09715   108.20090    62.99304
   66    64 S   HC   _H15    53     1.09847   108.59249   177.70936
   67    59 S   CA   _C24    80     1.48564   126.03164   177.93721
   68    59 S   CM   _C22    92     1.34593   119.63066    -0.91514
   69    68 S   HC   _H27    93     1.08504   123.37420   179.76179
   70    64 S   CT   _C6_    54     1.54741   115.69985   -59.78157
   71    70 S   HC   _H3_    55     1.09723   109.15189    60.65895
   72    67 S   CA   _C25    81     1.40308   120.16311   -88.37573
   73    72 S   HA   _H29    82     1.08726   120.48922     0.36099
   74    68 S   N    _N4_    94     1.36608   121.81143    -0.12195
   75    74 S   H    _H28    95     1.01480   118.17023  -179.45356
   76    70 S   CT   _C7_    56     1.53292   111.73276   -58.43717
   77    76 S   HC   _H11    57     1.09518   111.19544   -56.32607
   78    76 S   HC   _H12    58     1.09553   110.82192  -176.41745
   79    76 S   HC   _H13    59     1.09355   111.56237    64.63751
   80    70 S   CT   _C5_    60     1.54422   111.46448   179.55633
   81    80 S   HC   _H9_    61     1.09689   110.10831    57.93070
   82    80 S   HC   _H10    62     1.09714   109.09971   174.56621
   83    72 S   CA   _C26    83     1.39516   120.21743  -179.96044
   84    83 S   HA   _H30    84     1.08612   119.84579  -179.86438
   85    48 S   C    _C23    96     1.49796   119.67531   -58.38765
   86    85 S   O    _O34    97     1.22885   121.45287    -3.48122
   87    80 S   CT   _C4_    63     1.52247   113.81665   -65.05263
   88    87 S   HC   _H6_    64     1.09432   111.11873   -52.71428
   89    87 S   HC   _H7_    65     1.09353   111.67207    68.67361
   90    87 S   HC   _H8_    66     1.09490   109.95888  -172.22489
   91    83 S   CA   _C27    85     1.39223   119.61660    -0.13417
   92    91 S   CA   _C28    86     1.39359   120.87644     0.00000
   93    92 S   HA   _H31    87     1.08588   121.00740  -179.81977
   94    91 S   OH   _O35    90     1.36660   118.13169  -179.90309
   95    94 S   HO   _H33    91     0.97233   108.49913   179.37380
   96    67 S   CA   _C29    88     1.40271   120.32981    91.47827
   97    96 S   HA   _H32    89     1.08741   120.42962    -0.29007
  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   9   5   4   3
  12   7   2   1   1  10   4   8   4   3   9   3   8   3  10   9
  15   5   4   2   1   1  10   4  12   8  12   7   3   2   1  12
   5   4  12   7   3  12   8   8   4   3   2   7   3   2   1   6
   5   4   7   3   1   1   3   2   1   1   6   5   3   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    48  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    49    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    48    55    85    43  
   42    45    46    48  
   45    46    48  
   44    47    49    50    57    51    52    53    54  
   47    49    51  
   46    48    55    56    59    74    85    86  
   48    55    85  
   49    50    57    58    60    64    51    52    53    54  
   55    56    59    67    68    74    75    85    86  
   50    57    58    60    61    62    63    64    65    66    70    51    52    53    54  
   57    58    60    64    51  
   52    53    54    57  
   53    54  
   54  
    0  
   56    59    67    72    96    68    69    74    85    86  
   59    67    68    85  
   58    60    61    62    63    64    65    66    70    71    76    80  
   60    61    62    63    64    65    66    70  
   67    72    73    83    92    96    97    68    69    74    75    85  
   61    62    63    64    65    66    70  
   62    63    64  
   63    64  
   64  
   65    66    70    71    76    77    78    79    80    81    82    87  
   66    70    71    76    80  
   70    71    76    80  
   72    73    83    84    91    92    93    96    97    68    69    74  
   69    74    75    85    86    72    96  
   74    75    85  
   71    76    77    78    79    80    81    82    87    88    89    90  
   76    77    78    79    80    81    82    87  
   73    83    84    91    92    96    97    94  
   83    84    91    96  
   75    85    86  
   85    86  
   77    78    79    80    81    82    87  
   78    79    80  
   79    80  
   80  
   81    82    87    88    89    90  
   82    87    88    89    90  
   87    88    89    90  
   84    91    92    93    96    94    95  
   91    92    94  
   86  
    0  
   88    89    90  
   89    90  
   90  
    0  
   92    93    96    97    94    95  
   93    96    97    94    95  
   96    97    94  
   95    96  
    0  
   97  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   75   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   92   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   93   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   94   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   380.000  1.444
   47    49   549.000  1.340
   47    51   317.000  1.510
   49    50   340.000  1.080
   49    57   317.000  1.510
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    76   268.000  1.529
   70    80   268.000  1.529
   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    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    48   320.000  1.462
   48    55   465.000  1.376
   48    85   410.000  1.444
   55    56   745.000  1.250
   55    59   465.000  1.376
   59    67   320.000  1.460
   59    68   549.000  1.340
   67    72   469.000  1.400
   67    96   469.000  1.400
   72    73   367.000  1.080
   72    83   469.000  1.400
   83    84   367.000  1.080
   83    91   469.000  1.400
   91    92   469.000  1.400
   91    94   450.000  1.364
   92    93   367.000  1.080
   92    96   469.000  1.400
   96    97   367.000  1.080
   94    95   553.000  0.945
   68    69   340.000  1.080
   68    74   400.000  1.384
   74    75   434.000  1.010
   74    85   490.000  1.335
   85    86   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  123.01800
   43    38    39    35.00000  120.00000
   43    47    49    70.00000  123.01800
   43    47    51    70.00000  124.00000
   47    43    44    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    57    70.00000  124.00000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    54    35.00000  109.50000
   49    57    58    35.00000  109.50000
   49    57    60    70.00000  112.02700
   49    57    64    70.00000  112.02700
   57    49    50    35.00000  117.00000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    70    58.35000  112.70000
   60    57    58    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    60    58.35000  112.70000
   64    70    71    37.50000  110.70000
   64    70    76    58.35000  112.70000
   64    70    80    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   70    80    81    37.50000  110.70000
   70    80    82    37.50000  110.70000
   70    80    87    58.35000  112.70000
   76    70    71    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    70    71    37.50000  110.70000
   80    70    76    58.35000  112.70000
   80    87    88    37.50000  110.70000
   80    87    89    37.50000  110.70000
   80    87    90    37.50000  110.70000
   82    80    81    33.00000  107.80000
   87    80    81    37.50000  110.70000
   87    80    82    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   51    47    49    70.00000  124.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    48    65.00000  118.62400
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    48    55    60.00000  125.92000
   45    48    85    55.00000  123.68000
   48    45    46    80.00000  123.72100
   48    55    56    65.00000  137.10300
   48    55    59    70.00000  123.01800
   48    85    74    80.00000  111.56200
   48    85    86    80.00000  125.30000
   55    59    67    60.00000  123.66000
   55    59    68    70.00000  117.34000
   59    55    56    65.00000  137.10300
   59    67    72    60.00000  118.70000
   59    67    96    60.00000  118.70000
   59    68    69    35.00000  120.00000
   59    68    74    75.00000  120.83300
   67    72    73    35.00000  120.00000
   67    72    83    63.00000  120.00000
   67    96    92    63.00000  120.00000
   67    96    97    35.00000  120.00000
   72    83    84    35.00000  120.00000
   72    83    91    63.00000  120.00000
   83    72    73    35.00000  120.00000
   83    91    92    63.00000  120.00000
   83    91    94    70.00000  120.00000
   91    83    84    35.00000  120.00000
   91    92    93    35.00000  120.00000
   91    92    96    63.00000  120.00000
   91    94    95    35.00000  113.00000
   92    96    97    35.00000  120.00000
   96    67    72    63.00000  120.00000
   96    92    93    35.00000  120.00000
   94    91    92    70.00000  120.00000
   68    59    67    60.00000  123.66000
   68    74    75    45.00000  117.55000
   68    74    85    70.00000  120.89900
   74    68    69    45.00000  111.09300
   74    85    86    80.00000  122.90000
   85    48    55    60.00000  120.04000
   85    74    75    35.00000  119.80000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    48   0.65300  1.0 1.0
   33    40    45    48  -0.03850 -1.0 2.0
   33    40    45    48   0.33900  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    49   0.28850  1.0 1.0
   38    43    47    49   2.61350 -1.0 2.0
   38    43    47    49   0.78400  1.0 3.0
   38    43    47    51  -0.18600  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    49    50   7.00000 -1.0 2.0
   43    47    49    57   7.00000 -1.0 2.0
   43    47    51    52   0.00000  1.0 1.0
   43    47    51    53   0.00000  1.0 1.0
   43    47    51    54   0.00000  1.0 1.0
   44    43    47    49  -0.18600  1.0 3.0
   44    43    47    51   0.00000  1.0 1.0
   47    49    57    58   0.00000  1.0 1.0
   47    49    57    60   0.09850  1.0 1.0
   47    49    57    60   0.15250 -1.0 2.0
   47    49    57    60  -0.50650  1.0 3.0
   47    49    57    64   0.09850  1.0 1.0
   47    49    57    64   0.15250 -1.0 2.0
   47    49    57    64  -0.50650  1.0 3.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    53   0.00000  1.0 1.0
   49    47    51    54   0.00000  1.0 1.0
   49    57    60    61   0.15000  1.0 3.0
   49    57    60    62   0.15000  1.0 3.0
   49    57    60    63   0.15000  1.0 3.0
   49    57    64    65   0.15000  1.0 3.0
   49    57    64    66   0.15000  1.0 3.0
   49    57    64    70   0.34400  1.0 1.0
   49    57    64    70   0.09450 -1.0 2.0
   49    57    64    70   0.11100  1.0 3.0
   50    49    57    58   0.33100  1.0 3.0
   50    49    57    60   0.00000  1.0 1.0
   50    49    57    64   0.00000  1.0 1.0
   57    64    70    71   0.15000  1.0 3.0
   57    64    70    76   0.56750  1.0 1.0
   57    64    70    76  -0.07550 -1.0 2.0
   57    64    70    76   0.20000  1.0 3.0
   57    64    70    80   0.56750  1.0 1.0
   57    64    70    80  -0.07550 -1.0 2.0
   57    64    70    80   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    70   0.15000  1.0 3.0
   60    57    64    65   0.15000  1.0 3.0
   60    57    64    66   0.15000  1.0 3.0
   60    57    64    70   0.56750  1.0 1.0
   60    57    64    70  -0.07550 -1.0 2.0
   60    57    64    70   0.20000  1.0 3.0
   64    57    60    61   0.15000  1.0 3.0
   64    57    60    62   0.15000  1.0 3.0
   64    57    60    63   0.15000  1.0 3.0
   64    70    76    77   0.15000  1.0 3.0
   64    70    76    78   0.15000  1.0 3.0
   64    70    76    79   0.15000  1.0 3.0
   64    70    80    81   0.15000  1.0 3.0
   64    70    80    82   0.15000  1.0 3.0
   64    70    80    87   0.56750  1.0 1.0
   64    70    80    87  -0.07550 -1.0 2.0
   64    70    80    87   0.20000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    76   0.15000  1.0 3.0
   65    64    70    80   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    76   0.15000  1.0 3.0
   66    64    70    80   0.15000  1.0 3.0
   70    80    87    88   0.15000  1.0 3.0
   70    80    87    89   0.15000  1.0 3.0
   70    80    87    90   0.15000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    79   0.15000  1.0 3.0
   71    70    80    81   0.15000  1.0 3.0
   71    70    80    82   0.15000  1.0 3.0
   71    70    80    87   0.15000  1.0 3.0
   76    70    80    81   0.15000  1.0 3.0
   76    70    80    82   0.15000  1.0 3.0
   76    70    80    87   0.56750  1.0 1.0
   76    70    80    87  -0.07550 -1.0 2.0
   76    70    80    87   0.20000  1.0 3.0
   80    70    76    77   0.15000  1.0 3.0
   80    70    76    78   0.15000  1.0 3.0
   80    70    76    79   0.15000  1.0 3.0
   81    80    87    88   0.15000  1.0 3.0
   81    80    87    89   0.15000  1.0 3.0
   81    80    87    90   0.15000  1.0 3.0
   82    80    87    88   0.15000  1.0 3.0
   82    80    87    89   0.15000  1.0 3.0
   82    80    87    90   0.15000  1.0 3.0
   51    47    49    50   7.00000 -1.0 2.0
   51    47    49    57   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    48    55  -0.33500  1.0 1.0
   40    45    48    55   1.06600 -1.0 2.0
   40    45    48    55  -0.14000  1.0 3.0
   40    45    48    85   1.50000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    48   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    48   0.00000  1.0 1.0
   45    48    55    56   7.00000 -1.0 2.0
   45    48    55    59   7.00000 -1.0 2.0
   45    48    85    74   1.50000 -1.0 2.0
   45    48    85    86   2.50000 -1.0 2.0
   46    45    48    55   1.00000 -1.0 2.0
   46    45    48    85   2.50000 -1.0 2.0
   48    55    59    67   7.00000 -1.0 2.0
   48    55    59    68   7.00000 -1.0 2.0
   55    48    85    74   0.49500  1.0 1.0
   55    48    85    74   1.31600 -1.0 2.0
   55    48    85    74  -0.02300  1.0 3.0
   55    48    85    86   1.00000 -1.0 2.0
   55    59    67    72   0.15800  1.0 1.0
   55    59    67    72   1.85350 -1.0 2.0
   55    59    67    72  -0.48700  1.0 3.0
   55    59    67    96   0.15800  1.0 1.0
   55    59    67    96   1.85350 -1.0 2.0
   55    59    67    96  -0.48700  1.0 3.0
   55    59    68    69   7.00000 -1.0 2.0
   55    59   -68    74   7.00000 -1.0 2.0
   56    55    59    67   7.00000 -1.0 2.0
   56    55    59    68   7.00000 -1.0 2.0
   59    67    72    73   3.62500 -1.0 2.0
   59    67    72    83   3.62500 -1.0 2.0
   59    67    96    92   3.62500 -1.0 2.0
   59    67    96    97   3.62500 -1.0 2.0
   59    68    74    75   0.78350 -1.0 2.0
   59    68    74    85  -0.18900  1.0 1.0
   59    68    74    85   1.70900 -1.0 2.0
   67    59    68    69   7.00000 -1.0 2.0
   67    59    68    74   7.00000 -1.0 2.0
   67    72    83    84   3.62500 -1.0 2.0
   67    72    83    91   3.62500 -1.0 2.0
   72    67    96    92   3.62500 -1.0 2.0
   72    67    96    97   3.62500 -1.0 2.0
   72    83   -91    92   3.62500 -1.0 2.0
   72    83    91    94   3.62500 -1.0 2.0
   73    72    83    84   3.62500 -1.0 2.0
   73    72    83    91   3.62500 -1.0 2.0
   83    91    92    93   3.62500 -1.0 2.0
   83    91    92    96   3.62500 -1.0 2.0
   83    91    94    95   0.84100 -1.0 2.0
   84    83    91    92   3.62500 -1.0 2.0
   84    83    91    94   3.62500 -1.0 2.0
   91    92   -96    67   3.62500 -1.0 2.0
   91    92    96    97   3.62500 -1.0 2.0
   92    91    94    95   0.84100 -1.0 2.0
   93    92    96    67   3.62500 -1.0 2.0
   93    92    96    97   3.62500 -1.0 2.0
   96    67    72    73   3.62500 -1.0 2.0
   96    67   -72    83   3.62500 -1.0 2.0
   94    91    92    93   3.62500 -1.0 2.0
   94    91    92    96   3.62500 -1.0 2.0
   68    59    67    72   0.15800  1.0 1.0
   68    59    67    72   1.85350 -1.0 2.0
   68    59    67    72  -0.48700  1.0 3.0
   68    59    67    96   0.15800  1.0 1.0
   68    59    67    96   1.85350 -1.0 2.0
   68    59    67    96  -0.48700  1.0 3.0
   68    74   -85    48   2.45000 -1.0 2.0
   68    74    85    86   2.67200 -1.0 2.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    85   1.44600  1.0 1.0
   75    74    85    48   2.56700 -1.0 2.0
   75    74    85    86   2.45000 -1.0 2.0
   85    48    55    56   7.00000 -1.0 2.0
   85    48   -55    59   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   43    51    47    49  15.00000 -1.0 2.0
   57    50    49    47  15.00000 -1.0 2.0
   40    48    45    46  10.50000 -1.0 2.0
   45    85    48    55   1.10000 -1.0 2.0
   59    56    55    48   1.10000 -1.0 2.0
   55    67    59    68   1.10000 -1.0 2.0
   72    96    67    59   4.00000 -1.0 2.0
   83    73    72    67   1.10000 -1.0 2.0
   91    84    83    72   1.10000 -1.0 2.0
   92    94    91    83   4.00000 -1.0 2.0
   96    93    92    91   1.10000 -1.0 2.0
   92    97    96    67   1.10000 -1.0 2.0
   74    69    68    59   1.10000 -1.0 2.0
   75    85    74    68   1.00000 -1.0 2.0
   48    74    85    86  10.50000 -1.0 2.0
END
