* LIGAND DATABASE FILE (OPLS2005)
*
001      94    96    170    247     483
    1     0 S   NP   _N1_     1    30.08505   102.38057   -17.12583
    2     1 S   H    _HN1     2     1.02782    89.59404  -107.94230
    3     1 S   H    _H1_     3     1.02952    43.79282     9.51736
    4     1 S   H    _H2_     4     1.02838    76.16033   143.52584
    5     1 S   CT   _CA1     5     1.50112   152.31057    35.11948
    6     5 S   HC   _HA1     6     1.09597   105.15339   159.05142
    7     5 S   CO3  _C1_     7     1.53582   112.32240    39.13844
    8     7 S   O2Z  _O11     8     1.26336   115.07272   -48.32176
    9     7 S   O2Z  _O12     9     1.26208   114.77700   130.59546
   10     5 S   CT   _CB1    10     1.53038   107.42277   -83.43078
   11    10 S   HC   HB11    11     1.09825   108.78287   -53.65965
   12    10 S   HC   HB12    12     1.09810   110.64599    62.66571
   13    10 S   CT   _CG1    13     1.53084   112.85389  -174.94170
   14    13 S   HC   HG11    14     1.09615   110.46097   -70.58653
   15    13 S   HC   HG12    15     1.09674   109.95948    48.60351
   16    13 S   C    _CD1    16     1.51890   112.18023   168.49164
   17    16 S   O    _OE1    17     1.22775   123.22676     0.17471
   18    16 S   N    _N2_    18     1.38516   111.85409  -179.06163
   19    18 S   H    _HN2    19     1.01591   119.00736     1.88471
   20    18 S   CT1  _CA2    20     1.45894   122.78226   173.63684
   21    20 S   HC   _HA2    21     1.09719   109.18111    21.66441
   22    20 S   C    _C2_    22     1.52967   106.68524   -95.11643
   23    22 S   O    _O2_    23     1.22983   123.07809   -26.90912
   24    20 S   CT   _CB2    32     1.53027   112.14468   145.32700
   25    24 S   HC   HB21    33     1.09481   109.77328    50.44999
   26    24 S   HC   HB22    34     1.09497   110.34112   169.13130
   27    22 S   N    _N3_    24     1.38511   112.55556   155.76804
   28    27 S   H    _HN3    25     1.01657   120.33138    -1.95795
   29    24 S   S    _SG2    35     1.82711   110.81995   -71.64044
   30    27 S   CT   _CA3    26     1.45349   122.48958   178.59347
   31    30 S   HC   HA31    27     1.09567   107.79566   -56.00016
   32    30 S   HC   HA32    28     1.09562   107.62401    60.33222
   33    29 S   CT   _C18    36     1.84797   100.85685   156.92201
   34    33 S   OM   _O37    37     1.31892   110.35446   176.20140
   35    30 S   CO3  _C3_    29     1.52890   114.32552  -177.90109
   36    35 S   O2Z  _O31    30     1.26335   116.06102    -0.28871
   37    35 S   O2Z  _O32    31     1.26435   114.40977   179.67857
   38    33 S   CT   _C19    38     1.54585   108.03935    60.97384
   39    38 S   HC   _H15    39     1.09670   111.62046   -67.20353
   40    38 S   HC   _H16    40     1.10015   111.20780   176.42675
   41    38 S   HC   _H17    41     1.09816   113.23561    55.42305
   42    33 S   OS   _O36    42     1.44672   114.12095   -54.88550
   43    42 S   CA   _C13    43     1.36995   124.13209   -55.17934
   44    43 S   CA   _C12    44     1.39322   125.08603   -20.03042
   45    44 S   HA   _H9_    45     1.08462   122.05817     1.49410
   46    44 S   CA   _C11    46     1.39942   120.86254  -177.54688
   47    46 S   HA   _H8_    47     1.08635   116.84343   179.96044
   48    46 S   CA   _C10    48     1.39959   121.56392     0.90612
   49    48 S   CA   _C9_    49     1.39976   117.24028    -1.00949
   50    43 S   CA   _C14    50     1.40675   115.97947   161.85573
   51    49 S   OS   _O33    61     1.36934   121.60206  -178.16923
   52    50 S   CT   _C15    51     1.51231   120.95403    -1.18018
   53    52 S   HC   _H10    52     1.09718   110.15180  -140.83476
   54    52 S   HC   _H11    53     1.09577   111.77145   -21.91058
   55    51 S   CT   _C8_    62     1.44360   117.21401   -27.26400
   56    52 S   OS   _O34    54     1.43486   108.07934    98.60700
   57    55 S   CM   _C7_    63     1.52887   112.71495    37.33508
   58    55 S   CT   _C20    87     1.54055   103.26748   159.77691
   59    58 S   HC   _H18    88     1.09717   110.65352    52.08027
   60    58 S   HC   _H19    89     1.09655   110.91072   -65.29292
   61    58 S   HC   _H20    90     1.09488   112.64472   172.56637
   62    55 S   CT   _C21    91     1.53975   107.17592   -85.67172
   63    62 S   HC   _H21    92     1.09668   110.71285   -48.76484
   64    62 S   HC   _H22    93     1.09452   112.12707  -169.53174
   65    62 S   HC   _H23    94     1.09627   111.37496    69.20349
   66    56 S   CO4  _C16    55     1.36150   115.50594   174.85943
   67    66 S   O    _O35    56     1.22333   126.33344     0.51396
   68    57 S   CA   _C22    64     1.47932   117.24581   157.14951
   69    48 S   CM   _C6_    79     1.48358   123.01647   179.61743
   70    66 S   CT   _C17    57     1.49830   109.52609  -179.39477
   71    70 S   HC   _H12    58     1.09289   109.83570   -61.12190
   72    70 S   HC   _H13    59     1.09377   109.36659   179.81129
   73    70 S   HC   _H14    60     1.09299   109.81041    60.77672
   74    68 S   CA   _C23    65     1.40006   120.37494   -95.54569
   75    74 S   HA   _H24    66     1.08756   120.54836     0.34264
   76    69 S   CT   _C5_    80     1.51819   118.99670    11.21997
   77    76 S   HC   _H6_    81     1.09623   110.45286    36.34062
   78    76 S   HC   _H7_    82     1.09552   111.03338   151.09988
   79    74 S   CA   _C24    67     1.39626   120.32199  -179.57296
   80    79 S   HA   _H25    68     1.08736   119.20397  -179.96044
   81    76 S   CT   _C4_    83     1.52490   113.04416   -87.16169
   82    81 S   HC   _H3_    84     1.09419   111.39604   -61.89461
   83    81 S   HC   _H4_    85     1.09490   109.91214   178.82397
   84    81 S   HC   _H5_    86     1.09392   112.08970    58.97782
   85    79 S   CA   _C25    69     1.39811   120.61683     0.18452
   86    85 S   CA   _C26    70     1.39631   119.22530     0.08623
   87    86 S   HA   _H26    71     1.08542   121.92617   179.73093
   88    85 S   OS   _O38    74     1.36951   114.92668   180.00000
   89    68 S   CA   _C27    72     1.39981   120.64708    85.33245
   90    89 S   HA   _H27    73     1.08761   120.50453    -0.00000
   91    88 S   CT   _C28    75     1.42262   116.77690  -179.70725
   92    91 S   HC   _H28    76     1.09428   107.75499   179.92087
   93    91 S   HC   _H29    77     1.09502   111.13850    62.16233
   94    91 S   HC   _H30    78     1.09502   111.13404   -62.32212
  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
   9   6   2   1   1   5   3   2   1   7  12   8   4   8   3  12
  12   8  13   6   3   2  14   6  20   9   3   2   1   5   2   1
   1   5   4  11   9   3   2   1   1   8   4   6   5   4   7   3
   3   2   1   1   9   5   3   5   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    50  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    50    52  
   44    45    46    47    48    49    50    52    53    54    56    51  
   45    46    47    48    49    50    52    69  
   46    47    48    50  
   47    48    49    50    51    57    69    76  
   48    49    69  
   49    50    52    51    55    57    68    69    76    77    78    81  
   50    52    53    54    56    51    55    57    69    76    58    62  
   52    53    54    56    66    51    55    69  
   55    57    68    69    58    59    60    61    62    63    64    65    52  
   53    54    56    66    67    70  
   54    56    66  
   56    66  
   57    68    74    89    69    76    58    59    60    61    62    63    64    65  
   66    67    70    71    72    73  
   68    74    75    79    86    89    90    69    76    77    78    81    58    59    60    61    62    63    64    65  
   59    60    61    62    63    64    65    68    69  
   60    61    62  
   61    62  
   62  
   63    64    65    68    69  
   64    65  
   65  
    0  
   67    70    71    72    73  
   70    71    72    73  
   74    75    79    80    85    86    87    89    90    69    76  
   76    77    78    81    82    83    84    74    89  
   71    72    73  
   72    73  
   73  
    0  
   75    79    80    85    86    89    90    88  
   79    80    85    89  
   77    78    81    82    83    84  
   78    81    82    83    84  
   81    82    83    84  
   80    85    86    87    89    88    91  
   85    86    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    89    90    88    91    92    93    94  
   87    89    90    88    91  
   89    90    88  
   91    92    93    94    89  
   90  
    0  
   92    93    94  
   93    94  
   94  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   51   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.231800   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    50   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    69   320.000  1.460
   49    50   469.000  1.400
   49    51   450.000  1.364
   50    52   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   320.000  1.410
   56    66   214.000  1.327
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   51    55   320.000  1.410
   55    57   317.000  1.510
   55    58   268.000  1.529
   55    62   268.000  1.529
   57    68   320.000  1.460
   57    69   549.000  1.340
   68    74   469.000  1.400
   68    89   469.000  1.400
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   469.000  1.400
   85    88   450.000  1.364
   86    87   367.000  1.080
   86    89   469.000  1.400
   89    90   367.000  1.080
   88    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   69    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    50    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    50    49    63.00000  120.00000
   43    50    52    70.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    69    60.00000  120.93500
   48    46    47    35.00000  120.00000
   48    49    50    63.00000  120.00000
   48    49    51    70.00000  120.00000
   48    69    57    60.00000  123.20500
   48    69    76    65.00000  118.87000
   49    50    52    70.00000  120.00000
   49    51    55    75.00000  111.00000
   50    43    44    63.00000  120.00000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    56    85.00000  111.85700
   52    56    66    83.00000  116.90000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    66    67    83.00000  123.40000
   56    66    70    81.00000  111.40000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   51    49    50    70.00000  120.00000
   51    55    57    85.00000  110.90400
   51    55    58    50.00000  109.50000
   51    55    62    50.00000  109.50000
   55    57    68    60.00000  124.00000
   55    57    69    70.00000  124.00000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    37.50000  110.70000
   57    68    74    60.00000  118.70000
   57    68    89    60.00000  118.70000
   57    69    76    70.00000  124.00000
   68    74    75    35.00000  120.00000
   68    74    79    63.00000  120.00000
   68    89    86    63.00000  120.00000
   68    89    90    35.00000  120.00000
   74    79    80    35.00000  120.00000
   74    79    85    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    85    86    63.00000  120.00000
   79    85    88    70.00000  120.00000
   85    79    80    35.00000  120.00000
   85    86    87    35.00000  120.00000
   85    86    89    63.00000  120.00000
   85    88    91    75.00000  111.00000
   86    89    90    35.00000  120.00000
   89    68    74    63.00000  120.00000
   89    86    87    35.00000  120.00000
   88    85    86    70.00000  120.00000
   88    91    92    35.00000  109.50000
   88    91    93    35.00000  109.50000
   88    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   69    48    49    60.00000  120.93500
   69    57    68    60.00000  123.66000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    81    70.00000  112.02700
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    37.50000  110.70000
   78    76    77    33.00000  107.80000
   81    76    77    37.50000  110.70000
   81    76    78    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   58    55    57    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    55    57    70.00000  112.02700
   62    55    58    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    50   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    50    49   3.62500 -1.0 2.0
   42    43    50    52   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    50    52    53   0.00000  1.0 1.0
   43    50    52    54   0.00000  1.0 1.0
   43    50    52    56   0.64500  1.0 1.0
   43    50    52    56   0.14800 -1.0 2.0
   43    50    52    56   0.20650  1.0 3.0
   44    43    50    49   3.62500 -1.0 2.0
   44    43    50    52   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    69   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    51   3.62500 -1.0 2.0
   46    48    69    57   0.15800  1.0 1.0
   46    48    69    57   1.85350 -1.0 2.0
   46    48    69    57  -0.48700  1.0 3.0
   46    48    69    76  -0.02500  1.0 1.0
   46    48    69    76  -0.32150 -1.0 2.0
   46    48    69    76  -0.01500  1.0 3.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    69   3.62500 -1.0 2.0
   48    49   -50    43   3.62500 -1.0 2.0
   48    49    50    52   3.62500 -1.0 2.0
   48    49    51    55   1.63200 -1.0 2.0
   48    69    76    77   0.77000  1.0 3.0
   48    69    76    78   0.77000  1.0 3.0
   48    69    76    81  -0.01700  1.0 1.0
   48    69    76    81   0.06550 -1.0 2.0
   48    69    76    81  -0.91500  1.0 3.0
   49    48    69    57   0.15800  1.0 1.0
   49    48    69    57   1.85350 -1.0 2.0
   49    48    69    57  -0.48700  1.0 3.0
   49    48    69    76  -0.02500  1.0 1.0
   49    48    69    76  -0.32150 -1.0 2.0
   49    48    69    76  -0.01500  1.0 3.0
   49    50    52    53   0.00000  1.0 1.0
   49    50    52    54   0.00000  1.0 1.0
   49    50    52    56   0.64500  1.0 1.0
   49    50    52    56   0.14800 -1.0 2.0
   49    50    52    56   0.20650  1.0 3.0
   49    51   -55    57  -0.25600  1.0 1.0
   49    51   -55    57  -0.40050 -1.0 2.0
   49    51   -55    57   0.34700  1.0 3.0
   49    51    55    58  -0.32850  1.0 1.0
   49    51    55    58  -0.35800 -1.0 2.0
   49    51    55    58   0.33950  1.0 3.0
   49    51    55    62  -0.32850  1.0 1.0
   49    51    55    62  -0.35800 -1.0 2.0
   49    51    55    62   0.33950  1.0 3.0
   50    43    44    45   3.62500 -1.0 2.0
   50    43   -44    46   3.62500 -1.0 2.0
   50    49    51    55   1.63200 -1.0 2.0
   50    52    56    66  -0.43900 -1.0 2.0
   50    52    56    66   0.14100  1.0 3.0
   52    56    66    67   3.00000 -1.0 2.0
   52    56    66    70   1.63150  1.0 1.0
   52    56    66    70   2.92000 -1.0 2.0
   53    52    56    66   0.08050  1.0 3.0
   54    52    56    66   0.08050  1.0 3.0
   56    66    70    71   0.00000  1.0 1.0
   56    66    70    72   0.00000  1.0 1.0
   56    66    70    73   0.00000  1.0 1.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   51    49    50    43   3.62500 -1.0 2.0
   51    49    50    52   3.62500 -1.0 2.0
   51    55    57    68   0.09700  1.0 1.0
   51    55    57    68   0.15600 -1.0 2.0
   51    55    57    68  -0.50800  1.0 3.0
   51    55    57    69   0.39000  1.0 1.0
   51    55    57    69  -0.05800 -1.0 2.0
   51    55    57    69  -0.55150  1.0 3.0
   51    55    58    59   0.23400  1.0 3.0
   51    55    58    60   0.23400  1.0 3.0
   51    55    58    61   0.23400  1.0 3.0
   51    55    62    63   0.23400  1.0 3.0
   51    55    62    64   0.23400  1.0 3.0
   51    55    62    65   0.23400  1.0 3.0
   55    57    68    74  -0.02500  1.0 1.0
   55    57    68    74  -0.32150 -1.0 2.0
   55    57    68    74  -0.01500  1.0 3.0
   55    57    68    89  -0.02500  1.0 1.0
   55    57    68    89  -0.32150 -1.0 2.0
   55    57    68    89  -0.01500  1.0 3.0
   55    57   -69    48   7.00000 -1.0 2.0
   55    57    69    76   7.00000 -1.0 2.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    65   0.15000  1.0 3.0
   57    68    74    75   3.62500 -1.0 2.0
   57    68    74    79   3.62500 -1.0 2.0
   57    68    89    86   3.62500 -1.0 2.0
   57    68    89    90   3.62500 -1.0 2.0
   57    69    76    77   0.00000  1.0 1.0
   57    69    76    78   0.00000  1.0 1.0
   57    69    76    81   0.09850  1.0 1.0
   57    69    76    81   0.15250 -1.0 2.0
   57    69    76    81  -0.50650  1.0 3.0
   68    57    69    48   7.00000 -1.0 2.0
   68    57    69    76   7.00000 -1.0 2.0
   68    74    79    80   3.62500 -1.0 2.0
   68    74    79    85   3.62500 -1.0 2.0
   74    68    89    86   3.62500 -1.0 2.0
   74    68    89    90   3.62500 -1.0 2.0
   74    79   -85    86   3.62500 -1.0 2.0
   74    79    85    88   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    85   3.62500 -1.0 2.0
   79    85    86    87   3.62500 -1.0 2.0
   79    85    86    89   3.62500 -1.0 2.0
   79    85    88    91   1.63200 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    88   3.62500 -1.0 2.0
   85    86   -89    68   3.62500 -1.0 2.0
   85    86    89    90   3.62500 -1.0 2.0
   85    88    91    92   0.08050  1.0 3.0
   85    88    91    93   0.08050  1.0 3.0
   85    88    91    94   0.08050  1.0 3.0
   86    85    88    91   1.63200 -1.0 2.0
   87    86    89    68   3.62500 -1.0 2.0
   87    86    89    90   3.62500 -1.0 2.0
   89    68    74    75   3.62500 -1.0 2.0
   89    68   -74    79   3.62500 -1.0 2.0
   88    85    86    87   3.62500 -1.0 2.0
   88    85    86    89   3.62500 -1.0 2.0
   69    48    49    50   3.62500 -1.0 2.0
   69    48   -49    51   3.62500 -1.0 2.0
   69    57    68    74   0.15800  1.0 1.0
   69    57    68    74   1.85350 -1.0 2.0
   69    57    68    74  -0.48700  1.0 3.0
   69    57    68    89   0.15800  1.0 1.0
   69    57    68    89   1.85350 -1.0 2.0
   69    57    68    89  -0.48700  1.0 3.0
   69    76    81    82   0.15000  1.0 3.0
   69    76    81    83   0.15000  1.0 3.0
   69    76    81    84   0.15000  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.15000  1.0 3.0
   78    76    81    82   0.15000  1.0 3.0
   78    76    81    83   0.15000  1.0 3.0
   78    76    81    84   0.15000  1.0 3.0
   58    55    57    68  -0.01700  1.0 1.0
   58    55    57    68   0.06550 -1.0 2.0
   58    55    57    68  -0.91500  1.0 3.0
   58    55    57    69   0.09850  1.0 1.0
   58    55    57    69   0.15250 -1.0 2.0
   58    55    57    69  -0.50650  1.0 3.0
   58    55    62    63   0.15000  1.0 3.0
   58    55    62    64   0.15000  1.0 3.0
   58    55    62    65   0.15000  1.0 3.0
   62    55    57    68  -0.01700  1.0 1.0
   62    55    57    68   0.06550 -1.0 2.0
   62    55    57    68  -0.91500  1.0 3.0
   62    55    57    69   0.09850  1.0 1.0
   62    55    57    69   0.15250 -1.0 2.0
   62    55    57    69  -0.50650  1.0 3.0
   62    55    58    59   0.15000  1.0 3.0
   62    55    58    60   0.15000  1.0 3.0
   62    55    58    61   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   44    50    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    69    48    46   4.00000 -1.0 2.0
   50    51    49    48   4.00000 -1.0 2.0
   49    52    50    43   4.00000 -1.0 2.0
   56    70    66    67  10.50000 -1.0 2.0
   55    68    57    69   1.10000 -1.0 2.0
   74    89    68    57   4.00000 -1.0 2.0
   79    75    74    68   1.10000 -1.0 2.0
   85    80    79    74   1.10000 -1.0 2.0
   86    88    85    79   4.00000 -1.0 2.0
   89    87    86    85   1.10000 -1.0 2.0
   86    90    89    68   1.10000 -1.0 2.0
   48    76    69    57   1.10000 -1.0 2.0
END
