* LIGAND DATABASE FILE (OPLS2005)
*
001      95    96    172    260     504
    1     0 S   NP   _N1_     1    32.80657   101.24864   -19.33242
    2     1 S   H    _HN1     2     1.03385   140.79089   -76.54071
    3     1 S   H    _H1_     3     1.02727    52.55024  -147.29963
    4     1 S   H    _H2_     4     1.03107   111.21062   116.73928
    5     1 S   CT   _CA1     5     1.50038    60.84719    14.94642
    6     5 S   HC   _HA1     6     1.09218   104.59135   157.32948
    7     5 S   CO3  _C1_     7     1.54521   112.97635    39.36466
    8     7 S   O2Z  _O11     8     1.26515   115.02706     5.95690
    9     7 S   O2Z  _O12     9     1.26227   115.76284  -173.94845
   10     5 S   CT   _CB1    10     1.53441   107.79058   -84.73244
   11    10 S   HC   HB11    11     1.09679   110.71650   -29.33177
   12    10 S   HC   HB12    12     1.09817   108.98313    86.68237
   13    10 S   CT   _CG1    13     1.53527   112.92625  -152.78068
   14    13 S   HC   HG11    14     1.09661   109.62720  -124.97061
   15    13 S   HC   HG12    15     1.09440   112.59655    -6.19783
   16    13 S   C    _CD1    16     1.51566   111.47791   116.18556
   17    16 S   O    _OE1    17     1.22936   121.57973   103.96025
   18    16 S   N    _N2_    18     1.38447   113.48628   -74.66320
   19    18 S   H    _HN2    19     1.01766   119.37872    -3.71836
   20    18 S   CT1  _CA2    20     1.46065   122.19095   178.27626
   21    20 S   HC   _HA2    21     1.09730   108.32288    36.37551
   22    20 S   C    _C2_    22     1.53093   109.59782   -80.05569
   23    22 S   O    _O2_    23     1.23138   121.05111   153.26373
   24    20 S   CT   _CB2    32     1.53121   112.32395   159.68068
   25    24 S   HC   HB21    33     1.09329   110.33166    56.04733
   26    24 S   HC   HB22    34     1.09578   110.18082   173.56398
   27    22 S   N    _N3_    24     1.38173   114.47334   -34.18279
   28    27 S   H    _HN3    25     1.01652   119.26098     1.69674
   29    24 S   S    _SG2    35     1.82537   111.64754   -67.56789
   30    27 S   CT   _CA3    26     1.45256   122.98897  -177.68548
   31    30 S   HC   HA31    27     1.09561   108.37017   -41.35406
   32    30 S   HC   HA32    28     1.09534   107.25699    75.16919
   33    29 S   CT   _C14    36     1.84245   100.08547   137.02171
   34    33 S   HC   _H5_    37     1.09834   101.77375    42.95629
   35    30 S   CO3  _C3_    29     1.52776   114.14739  -163.93618
   36    35 S   O2Z  _O31    30     1.26384   116.04658   -10.56133
   37    35 S   O2Z  _O32    31     1.26390   114.56290   169.77022
   38    33 S   CA   _C15    38     1.52513   111.14956   155.40630
   39    33 S   CM   _C9_    49     1.54935   114.61655   -72.04182
   40    38 S   CA   _C16    39     1.40713   119.37089  -111.04409
   41    40 S   HA   _H16    40     1.08767   120.40609    -0.16902
   42    39 S   CMA  _C10    50     1.36970   125.61272   -47.44168
   43    42 S   OM   _O36    51     1.26088   130.08286     3.90254
   44    39 S   N    _N5_    70     1.41210   113.37495   127.36566
   45    40 S   CA   _C17    41     1.39661   121.08345   179.97202
   46    45 S   HA   _H17    42     1.08619   119.94696   179.80416
   47    42 S   NE   _N6_    52     1.39291   124.57529  -174.89347
   48    47 S   H    _H10    53     1.01969   110.14104  -164.71984
   49    44 S   CT   _C21    71     1.46592   117.13332    57.73198
   50    49 S   HC   _H21    72     1.09121   110.73848   140.99807
   51    49 S   HC   _H22    73     1.09324   110.84544    22.62784
   52    49 S   HC   _H23    74     1.09387   108.93373   -99.24446
   53    45 S   CA   _C18    43     1.39148   120.03122    -0.27836
   54    53 S   HA   _H18    44     1.08590   120.14290  -179.94065
   55    47 S   CT1  _C11    54     1.45791   127.28279    50.50400
   56    55 S   HC   _H11    55     1.09648   109.63254    59.24157
   57    55 S   HC   _H12    56     1.08307   111.49848   -58.85117
   58    53 S   CA   _C19    45     1.39202   119.75842    -0.19584
   59    58 S   HA   _H19    46     1.08638   119.99838  -179.59603
   60    55 S   C    _C12    57     1.52917   107.83032   175.48074
   61    60 S   O    _O35    58     1.23743   118.09749   -61.78800
   62    38 S   CA   _C20    47     1.40282   122.66473    68.16376
   63    62 S   HA   _H20    48     1.08514   120.96061    -0.53119
   64    60 S   N    _N7_    59     1.40252   119.18427   116.05429
   65    64 S   CT1  _C5_    60     1.47815   124.13317    10.60226
   66    65 S   HC   _H3_    61     1.09571   106.72959    39.15944
   67    64 S   CT   _C13    92     1.46198   117.81418  -169.60011
   68    67 S   HC   _H13    93     1.09354   109.20771   126.60630
   69    67 S   HC   _H14    94     1.09307   111.99559     6.84808
   70    67 S   HC   _H15    95     1.09334   109.05624  -112.92564
   71    65 S   C    _C6_    62     1.52875   107.39658   -78.85296
   72    71 S   O    _O33    63     1.22764   122.69949   -41.83938
   73    65 S   CT   _C4_    88     1.52730   116.20345   158.61404
   74    73 S   HC   _H6_    89     1.09524   112.05969    64.30835
   75    73 S   HC   _H7_    90     1.09475   111.02131   -56.97494
   76    73 S   HC   _H8_    91     1.09579   110.44248  -176.59199
   77    71 S   N    _N4_    64     1.38814   111.52779   135.89012
   78    77 S   H    _H9_    65     1.01494   118.31566    10.78303
   79    77 S   CT1  _C7_    66     1.46186   124.85256  -161.74477
   80    79 S   HC   _H4_    67     1.09216   105.63813  -177.70953
   81    79 S   C    _C8_    68     1.53881   104.59696    65.96564
   82    81 S   O    _O34    69     1.23591   119.57230  -102.50930
   83    79 S   CTD  _C22    75     1.53509   113.17147   -59.77029
   84    83 S   HC   _H24    76     1.09856   108.28896   -52.29476
   85    83 S   HC   _H25    77     1.09635   110.51676    63.30650
   86    83 S   CT   _C23    78     1.54445   114.99017  -174.52718
   87    86 S   HC   _H26    79     1.09656   108.71016   -67.50102
   88    86 S   CT   _C24    80     1.52893   113.42512    52.56880
   89    88 S   HC   _H27    81     1.09510   111.26946    53.54307
   90    88 S   HC   _H28    82     1.09431   111.32881   -67.45864
   91    88 S   HC   _H29    83     1.09552   110.78253   173.68556
   92    86 S   CT   _C25    84     1.53177   109.44747   175.04145
   93    92 S   HC   _H30    85     1.09551   111.21049   -66.18371
   94    92 S   HC   _H31    86     1.09517   110.77286   173.72162
   95    92 S   HC   _H32    87     1.09408   111.11005    53.87874
  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
  15   6   2   1   1  12  15   8   4  10   4  11   6   3   7   4
   6   3   2   1   5   3   7   4   3   3   2  10   3   1   1  13
  14   8   5   2   1   1  11   4   4   2   1   1   9   4  10   6
   5   1  12   5   4   9   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    40    62    39    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    45    58    62    63    39    42    43    47    81    44    49  
   38    40    62    39    42    44  
   36    37  
   37  
    0  
   40    41    45    46    53    58    59    62    63    39    42    44  
   42    43    47    48    55    79    81    82    44    49    50    51    52    40    62  
   41    45    46    53    54    58    62    63  
   45    46    53    62  
   43    47    48    55    56    57    60    81    44    49  
   47    48    55    44  
   49    50    51    52    83    47    77    79    80    81    82  
   46    53    54    58    59    62  
   53    54    58  
   48    55    56    57    60    61    64  
   55    56    57    60  
   50    51    52    79    81    82  
   51    52    81  
   52    81  
   81  
   54    58    59    62    63  
   58    59    62  
   56    57    60    61    64    65    67  
   57    60    61    64  
   60    61    64  
   59    62    63  
   62    63  
   61    64    65    66    71    73    67    68    69    70  
   64    65    67  
   63  
    0  
   65    66    71    72    77    73    74    75    76    67    68    69    70  
   66    71    72    77    78    79    73    74    75    76    67    68    69    70  
   71    72    77    73    74    75    76    67  
   68    69    70    71    73  
   69    70  
   70  
    0  
   72    77    78    79    80    81    83    73    74    75    76  
   77    78    79    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84    85    86  
   79    80    81    83  
   80    81    82    83    84    85    86    87    88    92  
   81    82    83    84    85    86  
   82    83    84    85    86  
   83  
   84    85    86    87    88    89    90    91    92    93    94    95  
   85    86    87    88    92  
   86    87    88    92  
   87    88    89    90    91    92    93    94    95  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95  
   94    95  
   95  
    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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.674400   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700   0.003200   1.8100   1.6000   0.054801302  -1.445846770
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.998700   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.002500   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   65   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   78   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   79   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   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   317.000  1.510
   33    39   317.000  1.510
   38    40   469.000  1.400
   38    62   469.000  1.400
   40    41   367.000  1.080
   40    45   469.000  1.400
   45    46   367.000  1.080
   45    53   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   39    42   465.000  1.376
   39    44   400.000  1.384
   42    43   745.000  1.250
   42    47   415.000  1.382
   47    48   434.000  1.010
   47    55   382.000  1.448
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   317.000  1.522
   60    61   570.000  1.229
   60    64   490.000  1.335
   64    65   337.000  1.449
   64    67   337.000  1.449
   65    66   340.000  1.090
   65    71   317.000  1.522
   65    73   268.000  1.529
   71    72   570.000  1.229
   71    77   490.000  1.335
   77    78   434.000  1.010
   77    79   337.000  1.449
   79    80   340.000  1.090
   79    81   317.000  1.522
   79    83   268.000  1.529
   81    82   570.000  1.229
   81    44   490.000  1.335
   44    49   337.000  1.449
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   268.000  1.529
   86    92   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    62    70.00000  120.00000
   33    39    42    70.00000  124.00000
   33    39    44    70.00000  113.82800
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    45    63.00000  120.00000
   38    62    58    63.00000  120.00000
   38    62    63    35.00000  120.00000
   40    45    46    35.00000  120.00000
   40    45    53    63.00000  120.00000
   45    40    41    35.00000  120.00000
   45    53    54    35.00000  120.00000
   45    53    58    63.00000  120.00000
   53    45    46    35.00000  120.00000
   53    58    59    35.00000  120.00000
   53    58    62    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    63    35.00000  120.00000
   62    38    40    63.00000  120.00000
   62    58    59    35.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    47    75.00000  114.40000
   39    44    81    70.00000  120.89900
   39    44    49    70.00000  119.94800
   42    47    48    50.00000  121.48000
   42    47    55    50.00000  121.00000
   47    42    43   105.00000  113.92000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    60    70.00000  113.51500
   55    47    48    35.00000  112.50000
   55    60    61    80.00000  120.40000
   55    60    64    70.00000  116.60000
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    64    65    50.00000  121.90000
   60    64    67    50.00000  121.90000
   64    60    61    80.00000  122.90000
   64    65    66    35.00000  109.50000
   64    65    71    63.00000  110.10000
   64    65    73    80.00000  109.70000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    80.00000  120.40000
   65    71    77    70.00000  116.60000
   65    73    74    37.50000  110.70000
   65    73    75    37.50000  110.70000
   65    73    76    37.50000  110.70000
   71    65    66    35.00000  109.50000
   71    77    78    35.00000  119.80000
   71    77    79    50.00000  121.90000
   77    71    72    80.00000  122.90000
   77    79    80    35.00000  109.50000
   77    79    81    63.00000  110.10000
   77    79    83    80.00000  109.70000
   79    77    78    38.00000  118.40000
   79    81    82    80.00000  120.40000
   79    81    44    70.00000  116.60000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    86    58.35000  112.70000
   81    79    80    35.00000  109.50000
   81    44    49    50.00000  121.90000
   44    39    42    75.00000  120.83300
   44    81    82    80.00000  122.90000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   83    79    80    37.50000  110.70000
   83    79    81    63.00000  111.10000
   83    86    87    37.50000  110.70000
   83    86    88    58.35000  112.70000
   83    86    92    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    88    89    37.50000  110.70000
   86    88    90    37.50000  110.70000
   86    88    91    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    37.50000  110.70000
   88    86    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    86    87    37.50000  110.70000
   92    86    88    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   73    65    66    37.50000  110.70000
   73    65    71    63.00000  111.10000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   67    64    65    70.00000  118.74000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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   0.32350  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    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    62  -0.16000  1.0 1.0
   29    33    38    62  -0.03200 -1.0 2.0
   29    33    38    62   0.04500  1.0 3.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   29    33    39    44   0.09700  1.0 1.0
   29    33    39    44   0.15600 -1.0 2.0
   29    33    39    44  -0.50800  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    45   3.62500 -1.0 2.0
   33    38    62    58   3.62500 -1.0 2.0
   33    38    62    63   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    47   7.00000 -1.0 2.0
   33    39    44    81  -0.45200  1.0 1.0
   33    39    44    81   0.85900 -1.0 2.0
   33    39    44    81   0.16650  1.0 3.0
   33    39    44    49   1.00000 -1.0 2.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    62   0.00000  1.0 1.0
   34    33    39    42   0.00000  1.0 1.0
   34    33    39    44  -0.18050  1.0 3.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    33    39    44  -0.22650  1.0 1.0
   38    33    39    44   0.16900 -1.0 2.0
   38    33    39    44   1.14250  1.0 3.0
   38    40    45    46   3.62500 -1.0 2.0
   38    40    45    53   3.62500 -1.0 2.0
   40    38    62    58   3.62500 -1.0 2.0
   40    38    62    63   3.62500 -1.0 2.0
   40    45    53    54   3.62500 -1.0 2.0
   40    45   -53    58   3.62500 -1.0 2.0
   41    40    45    46   3.62500 -1.0 2.0
   41    40    45    53   3.62500 -1.0 2.0
   45    53    58    59   3.62500 -1.0 2.0
   45    53    58    62   3.62500 -1.0 2.0
   46    45    53    54   3.62500 -1.0 2.0
   46    45    53    58   3.62500 -1.0 2.0
   53    58   -62    38   3.62500 -1.0 2.0
   53    58    62    63   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   59    58    62    38   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   62    38    40    41   3.62500 -1.0 2.0
   62    38   -40    45   3.62500 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33    38    62   0.18050 -1.0 2.0
   39    42    47    48   1.00000 -1.0 2.0
   39    42    47    55  -0.54700  1.0 1.0
   39    42    47    55   1.23000 -1.0 2.0
   39    44    49    50   0.00000  1.0 1.0
   39    44    49    51   0.00000  1.0 1.0
   39    44    49    52   0.00000  1.0 1.0
   42    39    44    81  -0.18900  1.0 1.0
   42    39    44    81   1.70900 -1.0 2.0
   42    39    44    49  -0.88150  1.0 1.0
   42    39    44    49   2.95600 -1.0 2.0
   42    47    55    56   0.00000  1.0 1.0
   42    47    55    57   0.00000  1.0 1.0
   42    47    55    60  -0.12500  1.0 1.0
   42    47    55    60  -0.12500 -1.0 2.0
   42    47    55    60   0.25000  1.0 3.0
   43    42    47    48   1.00000 -1.0 2.0
   43    42    47    55   1.00000 -1.0 2.0
   47    55    60    61   0.00000  1.0 1.0
   47    55    60    64   0.37150  1.0 1.0
   47    55    60    64   1.25400 -1.0 2.0
   47    55    60    64  -0.40250  1.0 3.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    55    57   0.00000  1.0 1.0
   48    47    55    60   0.00000  1.0 1.0
   55    60    64    65   1.15000  1.0 1.0
   55    60    64    65   3.04450 -1.0 2.0
   55    60    64    67   1.15000  1.0 1.0
   55    60    64    67   3.04450 -1.0 2.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    64   0.00000  1.0 1.0
   57    55    60    61   0.00000  1.0 1.0
   57    55    60    64   0.00000  1.0 1.0
   60    64    65    66   0.00000  1.0 1.0
   60    64    65    71  -0.29800  1.0 1.0
   60    64    65    71   0.13950 -1.0 2.0
   60    64    65    71  -2.45650  1.0 3.0
   60    64    65    73   0.25950  1.0 1.0
   60    64    65    73   0.43850 -1.0 2.0
   60    64    65    73   2.61650  1.0 3.0
   60    64    67    68   0.00000  1.0 1.0
   60    64    67    69   0.00000  1.0 1.0
   60    64    67    70   0.00000  1.0 1.0
   61    60    64    65   3.04450 -1.0 2.0
   61    60    64    67   3.04450 -1.0 2.0
   64    65    71    72   0.00000  1.0 1.0
   64    65    71    77   0.37150  1.0 1.0
   64    65    71    77   1.25400 -1.0 2.0
   64    65    71    77  -0.40250  1.0 3.0
   64    65    73    74   0.23200  1.0 3.0
   64    65    73    75   0.23200  1.0 3.0
   64    65    73    76   0.23200  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    77    78   2.45000 -1.0 2.0
   65    71    77    79   1.15000  1.0 1.0
   65    71    77    79   3.04450 -1.0 2.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    77   0.00000  1.0 1.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.15000  1.0 3.0
   66    65    73    76   0.15000  1.0 3.0
   71    65    73    74  -0.03800  1.0 3.0
   71    65    73    75  -0.03800  1.0 3.0
   71    65    73    76  -0.03800  1.0 3.0
   71    77    79    80   0.00000  1.0 1.0
   71    77    79    81  -0.29800  1.0 1.0
   71    77    79    81   0.13950 -1.0 2.0
   71    77    79    81  -2.45650  1.0 3.0
   71    77    79    83   0.25950  1.0 1.0
   71    77    79    83   0.43850 -1.0 2.0
   71    77    79    83   2.61650  1.0 3.0
   72    71    77    78   2.45000 -1.0 2.0
   72    71    77    79   3.04450 -1.0 2.0
   77    79    81    82   0.00000  1.0 1.0
   77    79    81    44   0.37150  1.0 1.0
   77    79    81    44   1.25400 -1.0 2.0
   77    79    81    44  -0.40250  1.0 3.0
   77    79    83    84   0.23200  1.0 3.0
   77    79    83    85   0.23200  1.0 3.0
   77    79    83    86   0.26400  1.0 1.0
   77    79    83    86   0.16150 -1.0 2.0
   77    79    83    86   0.25850  1.0 3.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    81   0.00000  1.0 1.0
   78    77    79    83   0.00000  1.0 1.0
   79    81    44    39   0.67100  1.0 1.0
   79    81    44    39   1.42150 -1.0 2.0
   79    81    44    39   0.18700  1.0 3.0
   79    81    44    49   1.15000  1.0 1.0
   79    81    44    49   3.04450 -1.0 2.0
   79    83    86    87   0.15000  1.0 3.0
   79    83    86    88   0.65000  1.0 1.0
   79    83    86    88  -0.02500 -1.0 2.0
   79    83    86    88   0.10000  1.0 3.0
   79    83    86    92   0.65000  1.0 1.0
   79    83    86    92  -0.02500 -1.0 2.0
   79    83    86    92   0.10000  1.0 3.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    44   0.00000  1.0 1.0
   80    79    83    84   0.15000  1.0 3.0
   80    79    83    85   0.15000  1.0 3.0
   80    79    83    86   0.15000  1.0 3.0
   81    79    83    84  -0.03800  1.0 3.0
   81    79    83    85  -0.03800  1.0 3.0
   81    79    83    86  -0.45800  1.0 1.0
   81    79    83    86   0.20550 -1.0 2.0
   81    44    49    50   0.00000  1.0 1.0
   81    44    49    51   0.00000  1.0 1.0
   81    44    49    52   0.00000  1.0 1.0
   82    81    44    39   2.67200 -1.0 2.0
   82    81    44    49   3.04450 -1.0 2.0
   44    39    42    43   7.00000 -1.0 2.0
   44    39    42    47   7.00000 -1.0 2.0
   83    79    81    82   0.00000  1.0 1.0
   83    79    81    44   0.93250  1.0 1.0
   83    79    81    44   0.04450 -1.0 2.0
   83    79    81    44   0.17550  1.0 3.0
   83    86    88    89   0.15000  1.0 3.0
   83    86    88    90   0.15000  1.0 3.0
   83    86    88    91   0.15000  1.0 3.0
   83    86    92    93   0.15000  1.0 3.0
   83    86    92    94   0.15000  1.0 3.0
   83    86    92    95   0.15000  1.0 3.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    92   0.15000  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    92   0.15000  1.0 3.0
   87    86    88    89   0.15000  1.0 3.0
   87    86    88    90   0.15000  1.0 3.0
   87    86    88    91   0.15000  1.0 3.0
   87    86    92    93   0.15000  1.0 3.0
   87    86    92    94   0.15000  1.0 3.0
   87    86    92    95   0.15000  1.0 3.0
   88    86    92    93   0.15000  1.0 3.0
   88    86    92    94   0.15000  1.0 3.0
   88    86    92    95   0.15000  1.0 3.0
   92    86    88    89   0.15000  1.0 3.0
   92    86    88    90   0.15000  1.0 3.0
   92    86    88    91   0.15000  1.0 3.0
   73    65    71    72   0.00000  1.0 1.0
   73    65    71    77   0.93250  1.0 1.0
   73    65    71    77   0.04450 -1.0 2.0
   73    65    71    77   0.17550  1.0 3.0
   67    64    65    66   0.00000  1.0 1.0
   67    64    65    71   0.17850 -1.0 2.0
   67    64    65    73  -0.05900 -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
   40    62    38    33   4.00000 -1.0 2.0
   45    41    40    38   1.10000 -1.0 2.0
   53    46    45    40   1.10000 -1.0 2.0
   58    54    53    45   1.10000 -1.0 2.0
   62    59    58    53   1.10000 -1.0 2.0
   58    63    62    38   1.10000 -1.0 2.0
   33    44    39    42   1.10000 -1.0 2.0
   47    43    42    39   1.10000 -1.0 2.0
   48    42    47    55   1.00000 -1.0 2.0
   55    64    60    61  10.50000 -1.0 2.0
   67    60    64    65   1.00000 -1.0 2.0
   65    77    71    72  10.50000 -1.0 2.0
   78    71    77    79   1.00000 -1.0 2.0
   79    44    81    82  10.50000 -1.0 2.0
   49    81    44    39   1.00000 -1.0 2.0
END
