* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    163    237     473
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02057   106.63701   -15.68478
    3     1 S   H    _H1_     3     1.02088    56.83364    86.15300
    4     1 S   H    _H2_     4     1.02091    55.25507  -117.20891
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C13    36     1.83818    97.63836  -178.13848
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CM   _C4_    37     1.52046   108.94022   179.97202
   38    33 S   OH   _O25    90     1.42985   109.73459   -61.30683
   39    38 S   HO   _H56    91     0.96830   106.31855    61.06893
   40    37 S   CM   _C5_    38     1.34974   121.31846   -95.33011
   41    37 S   CT   _C21    76     1.51070   116.97075    85.18842
   42    41 S   HC   _H48    77     1.08684   108.21831    29.49975
   43    41 S   HC   _H49    78     1.08917   107.77664   144.73311
   44    40 S   CT   _C14    39     1.50757   124.20804     2.88419
   45    40 S   OH   _O24    74     1.38561   120.44668  -178.28879
   46    45 S   HO   _H55    75     0.95985   109.52725  -179.97202
   47    41 S   CM   _C8_    79     1.49415   111.34651   -95.41677
   48    47 S   HC   _H28    80     1.08951   114.44882   -59.95932
   49    44 S   CO4  _C7_    40     1.52922   114.61055   -15.91370
   50    49 S   O    _O23    41     1.23185   121.15975  -178.72359
   51    44 S   CT   _C22    58     1.53212   110.77702   108.40573
   52    51 S   HC   _H50    59     1.08409   107.32857    59.97048
   53    51 S   HC   _H51    60     1.08672   106.84937   174.16078
   54    44 S   OH   _O26    72     1.42803   108.27496  -131.87249
   55    54 S   HO   _H57    73     0.96926   106.41233  -179.98022
   56    47 S   CM   _C11    81     1.34772   127.62605   122.15194
   57    33 S   CM   _C6_    42     1.51133   108.59128    57.48094
   58    51 S   CM   _C9_    61     1.48987   113.15188   -65.51095
   59    58 S   HC   _H29    62     1.08825   114.45656   -60.53684
   60    56 S   CT   _C15    82     1.50255   125.14899   179.97202
   61    60 S   HC   _H30    83     1.09504   110.11187    89.99092
   62    60 S   HC   _H31    84     1.09243   113.56816   -31.15547
   63    60 S   HC   _H32    85     1.09560   109.98427  -150.76243
   64    56 S   CT   _C16    86     1.50581   120.41724     0.49019
   65    64 S   HC   _H33    87     1.09473   112.42346    90.00496
   66    64 S   HC   _H34    88     1.09551   110.18663  -149.81546
   67    64 S   HC   _H35    89     1.09496   110.18820   -30.09006
   68    57 S   CMA  _C10    43     1.34300   125.89551  -101.79756
   69    68 S   OM   _O22    44     1.26528   130.23424     4.29272
   70    58 S   CM   _C12    63     1.34723   127.29905   122.32498
   71    68 S   CT   _C23    45     1.53152   117.59138  -177.76419
   72    71 S   HC   _H52    46     1.10047   109.65631   -59.97350
   73    71 S   HC   _H53    47     1.10132   109.37369  -173.84352
   74    70 S   CT   _C17    64     1.50222   124.96418  -179.98022
   75    74 S   HC   _H36    65     1.09493   110.11959    89.96428
   76    74 S   HC   _H37    66     1.09595   110.05248  -150.68666
   77    74 S   HC   _H38    67     1.09199   113.43627   -31.17956
   78    70 S   CT   _C18    68     1.50540   120.49080     0.60523
   79    78 S   HC   _H39    69     1.09536   112.35478    90.03800
   80    78 S   HC   _H40    70     1.09522   110.27476  -149.87120
   81    78 S   HC   _H41    71     1.09507   110.20778   -29.99291
   82    71 S   CT   _C24    48     1.54853   115.40595    62.57800
   83    82 S   HC   _H54    49     1.09763   109.33618   -57.67612
   84    82 S   CT   _C19    50     1.53166   109.72561    59.99030
   85    84 S   HC   _H42    51     1.09493   111.33172    61.20528
   86    84 S   HC   _H43    52     1.09508   110.79591   -59.16053
   87    84 S   HC   _H44    53     1.09564   110.80918  -178.61365
   88    82 S   CT   _C20    54     1.53086   112.28156  -177.73307
   89    88 S   HC   _H45    55     1.09479   111.23646   -59.29891
   90    88 S   HC   _H46    56     1.09542   110.67019  -179.25166
   91    88 S   HC   _H47    57     1.09431   111.37078    61.51003
  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
  16   2   1   1  17   6   1  16  10   4   3  14   4   1  10   3
  11   4  10   5   4   3   1   8   6  10   3   7   3   2   1   3
   2   1   1   8   4   8  12   5   4   7   3   2   1   3   2   1
   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    49    57    68    41    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    44    49    50    57    68    69    71    45    41    42    43    47    38    39  
   35    36  
   36  
    0  
   40    44    49    57    68    51    54    45    46    41    42    43    47    48    56    38    39  
   39    40    41    49    57    68  
   57  
   44    49    50    57    51    52    53    58    54    55    45    46    41    42    43    47  
   42    43    47    48    56    60    64    44    45    57  
   43    47    48    56  
   47    48    56  
   49    50    57    68    51    52    53    58    59    70    54    55    45    46  
   46    49    51    54  
    0  
   48    56    60    61    62    63    64    65    66    67  
   56    60    64  
   50    57    68    69    71    51    52    53    58    54    55  
   57    68    51    54  
   52    53    58    59    70    74    78    54    55    57  
   53    58    59    70    54  
   58    59    70    54  
   55    57    58  
    0  
   60    61    62    63    64    65    66    67  
   68    69    71    72    73    82  
   59    70    74    75    76    77    78    79    80    81  
   70    74    78  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    71    72    73    82    83    84    88  
   71    72    73    82  
   74    75    76    77    78    79    80    81  
   72    73    82    83    84    85    86    87    88    89    90    91  
   73    82    83    84    88  
   82    83    84    88  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90    91  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    57   317.000  1.510
   33    38   320.000  1.410
   37    40   549.000  1.340
   37    41   317.000  1.510
   40    44   317.000  1.510
   40    45   510.000  1.338
   44    49   317.000  1.522
   44    51   268.000  1.529
   44    54   320.000  1.410
   49    50   570.000  1.229
   49    57   320.000  1.462
   57    68   465.000  1.376
   68    69   745.000  1.250
   68    71   270.000  1.512
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    82   268.000  1.529
   82    83   340.000  1.090
   82    84   268.000  1.529
   82    88   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   317.000  1.510
   58    59   340.000  1.080
   58    70   549.000  1.340
   70    74   317.000  1.510
   70    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   54    55   553.000  0.945
   45    46   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    47   317.000  1.510
   47    48   340.000  1.080
   47    56   549.000  1.340
   56    60   317.000  1.510
   56    64   317.000  1.510
   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    67   340.000  1.090
   38    39   553.000  0.945
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    57    75.00000  112.20000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    41    65.00000  117.92700
   33    57    49    65.00000  116.34900
   33    57    68    70.00000  124.00000
   33    38    39    55.00000  108.50000
   37    40    44    70.00000  124.00000
   37    40    45    80.00000  121.38400
   37    41    42    35.00000  109.50000
   37    41    43    35.00000  109.50000
   37    41    47    70.00000  110.12100
   40    44    49    70.00000  109.06800
   40    44    51    70.00000  112.02700
   40    44    54    90.00000  110.39200
   40    45    46    70.00000  107.45700
   44    49    50    80.00000  120.40000
   44    49    57    65.00000  118.62400
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    58    70.00000  112.02700
   44    54    55    55.00000  108.50000
   49    57    68    60.00000  125.92000
   57    33    37    70.00000  110.12100
   57    49    50    80.00000  123.72100
   57    68    69    65.00000  137.10300
   57    68    71    65.00000  122.18000
   68    71    72    45.00000  110.52000
   68    71    73    45.00000  110.52000
   68    71    82    70.00000  112.02700
   71    68    69    85.00000  112.85300
   71    82    83    37.50000  110.70000
   71    82    84    58.35000  112.70000
   71    82    88    58.35000  112.70000
   73    71    72    33.00000  107.80000
   82    71    72    37.50000  110.70000
   82    71    73    37.50000  110.70000
   82    84    85    37.50000  110.70000
   82    84    86    37.50000  110.70000
   82    84    87    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    91    37.50000  110.70000
   84    82    83    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    82    83    37.50000  110.70000
   88    82    84    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   51    44    49    63.00000  111.10000
   51    58    59    35.00000  117.00000
   51    58    70    70.00000  124.00000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    35.00000  109.50000
   58    70    74    70.00000  124.00000
   58    70    78    70.00000  124.00000
   70    58    59    35.00000  120.00000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   70    78    79    35.00000  109.50000
   70    78    80    35.00000  109.50000
   70    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    70    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   54    44    49    90.00000  109.61100
   54    44    51    50.00000  109.50000
   45    40    44    90.00000  109.34000
   41    37    40    70.00000  124.00000
   41    47    48    35.00000  117.00000
   41    47    56    70.00000  124.00000
   43    41    42    33.00000  107.80000
   47    41    42    35.00000  109.50000
   47    41    43    35.00000  109.50000
   47    56    60    70.00000  124.00000
   47    56    64    70.00000  124.00000
   56    47    48    35.00000  120.00000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    63    35.00000  109.50000
   56    64    65    35.00000  109.50000
   56    64    66    35.00000  109.50000
   56    64    67    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    56    60    65.00000  117.92700
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    57    90.00000  110.39200
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57  -0.62250  1.0 1.0
   24    29    33    57  -0.38450 -1.0 2.0
   24    29    33    57   0.81900  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   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    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    41   0.30250  1.0 1.0
   29    33    37    41  -0.14950 -1.0 2.0
   29    33    37    41   0.36900  1.0 3.0
   29    33    57    49   0.09700  1.0 1.0
   29    33    57    49   0.15600 -1.0 2.0
   29    33    57    49  -0.50800  1.0 3.0
   29    33    57    68   0.42700  1.0 1.0
   29    33    57    68  -0.70350 -1.0 2.0
   29    33    57    68  -0.43150  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    44   7.00000 -1.0 2.0
   33    37    40    45   7.00000 -1.0 2.0
   33    37    41    42   0.34800  1.0 3.0
   33    37    41    43   0.34800  1.0 3.0
   33    37    41    47   0.09700  1.0 1.0
   33    37    41    47   0.15600 -1.0 2.0
   33    37    41    47  -0.50800  1.0 3.0
   33    57    68    69   7.00000 -1.0 2.0
   33    57    68    71   7.00000 -1.0 2.0
   37    33    57    49   0.09700  1.0 1.0
   37    33    57    49   0.15600 -1.0 2.0
   37    33    57    49  -0.50800  1.0 3.0
   37    33    57    68  -0.28300  1.0 1.0
   37    33    57    68   0.26700 -1.0 2.0
   37    33    57    68  -0.63300  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40   -44    49  -0.51250  1.0 1.0
   37    40   -44    49  -0.88800 -1.0 2.0
   37    40   -44    49   0.08850  1.0 3.0
   37    40    44    51   0.09850  1.0 1.0
   37    40    44    51   0.15250 -1.0 2.0
   37    40    44    51  -0.50650  1.0 3.0
   37    40    44    54   0.67800  1.0 1.0
   37    40    44    54   0.47050 -1.0 2.0
   37    40    44    54  -0.62500  1.0 3.0
   37    40    45    46  -0.66100  1.0 1.0
   37    40    45    46   1.20850 -1.0 2.0
   37    40    45    46  -0.36000  1.0 3.0
   37    41    47    48   0.00000  1.0 1.0
   37    41    47    56  -0.28300  1.0 1.0
   37    41    47    56   0.26700 -1.0 2.0
   37    41    47    56  -0.63300  1.0 3.0
   40    37    41    42   0.00000  1.0 1.0
   40    37    41    43   0.00000  1.0 1.0
   40    37    41    47  -0.28300  1.0 1.0
   40    37    41    47   0.26700 -1.0 2.0
   40    37    41    47  -0.63300  1.0 3.0
   40    44    49    50   0.30150 -1.0 2.0
   40    44    49    57   0.65300  1.0 1.0
   40    44    49    57  -0.03850 -1.0 2.0
   40    44    49    57   0.33900  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    58   0.31000  1.0 1.0
   40    44    51    58   0.14700 -1.0 2.0
   40    44    51    58   0.07550  1.0 3.0
   40    44    54    55  -0.07800  1.0 1.0
   40    44    54    55  -0.21500 -1.0 2.0
   40    44    54    55  -0.03150  1.0 3.0
   44    40    45    46   2.00000 -1.0 2.0
   44    49   -57    33   0.25700  1.0 1.0
   44    49   -57    33   0.66200 -1.0 2.0
   44    49   -57    33   0.04450  1.0 3.0
   44    49    57    68  -0.33500  1.0 1.0
   44    49    57    68   1.06600 -1.0 2.0
   44    49    57    68  -0.14000  1.0 3.0
   44    51    58    59   0.00000  1.0 1.0
   44    51    58    70   0.09850  1.0 1.0
   44    51    58    70   0.15250 -1.0 2.0
   44    51    58    70  -0.50650  1.0 3.0
   49    44    51    52  -0.11250  1.0 3.0
   49    44    51    53  -0.11250  1.0 3.0
   49    44    51    58  -0.98800  1.0 1.0
   49    44    51    58   0.48800 -1.0 2.0
   49    44    51    58   0.76800  1.0 3.0
   49    44    54    55   0.91850  1.0 1.0
   49    44    54    55   0.57950  1.0 3.0
   49    57    68    69   7.00000 -1.0 2.0
   49    57    68    71   7.00000 -1.0 2.0
   50    49    57    33  -0.64400  1.0 1.0
   50    49    57    33   0.26850 -1.0 2.0
   50    49    57    68   1.00000 -1.0 2.0
   57    33   -37    40  -0.28300  1.0 1.0
   57    33   -37    40   0.26700 -1.0 2.0
   57    33   -37    40  -0.63300  1.0 3.0
   57    33    37    41   0.09700  1.0 1.0
   57    33    37    41   0.15600 -1.0 2.0
   57    33    37    41  -0.50800  1.0 3.0
   57    33    38    39  -0.07800  1.0 1.0
   57    33    38    39  -0.21500 -1.0 2.0
   57    33    38    39  -0.03150  1.0 3.0
   57    68    71    72   0.00000  1.0 1.0
   57    68    71    73   0.00000  1.0 1.0
   57    68    71    82   0.09850  1.0 1.0
   57    68    71    82   0.15250 -1.0 2.0
   57    68    71    82  -0.50650  1.0 3.0
   68    71    82    83   0.15000  1.0 3.0
   68    71    82    84   0.34400  1.0 1.0
   68    71    82    84   0.09450 -1.0 2.0
   68    71    82    84   0.11100  1.0 3.0
   68    71    82    88   0.34400  1.0 1.0
   68    71    82    88   0.09450 -1.0 2.0
   68    71    82    88   0.11100  1.0 3.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    82   0.09700  1.0 1.0
   69    68    71    82   0.15600 -1.0 2.0
   69    68    71    82  -0.50800  1.0 3.0
   71    82    84    85   0.15000  1.0 3.0
   71    82    84    86   0.15000  1.0 3.0
   71    82    84    87   0.15000  1.0 3.0
   71    82    88    89   0.15000  1.0 3.0
   71    82    88    90   0.15000  1.0 3.0
   71    82    88    91   0.15000  1.0 3.0
   72    71    82    83   0.15000  1.0 3.0
   72    71    82    84   0.15000  1.0 3.0
   72    71    82    88   0.15000  1.0 3.0
   73    71    82    83   0.15000  1.0 3.0
   73    71    82    84   0.15000  1.0 3.0
   73    71    82    88   0.15000  1.0 3.0
   83    82    84    85   0.15000  1.0 3.0
   83    82    84    86   0.15000  1.0 3.0
   83    82    84    87   0.15000  1.0 3.0
   83    82    88    89   0.15000  1.0 3.0
   83    82    88    90   0.15000  1.0 3.0
   83    82    88    91   0.15000  1.0 3.0
   84    82    88    89   0.15000  1.0 3.0
   84    82    88    90   0.15000  1.0 3.0
   84    82    88    91   0.15000  1.0 3.0
   88    82    84    85   0.15000  1.0 3.0
   88    82    84    86   0.15000  1.0 3.0
   88    82    84    87   0.15000  1.0 3.0
   51    44    49    50   0.30150 -1.0 2.0
   51    44    49    57   0.65300  1.0 1.0
   51    44    49    57  -0.03850 -1.0 2.0
   51    44    49    57   0.33900  1.0 3.0
   51    44    54    55  -0.11600  1.0 1.0
   51    44    54    55  -0.09450 -1.0 2.0
   51    44    54    55   0.21250  1.0 3.0
   51    58    70    74   7.00000 -1.0 2.0
   51    58    70    78   7.00000 -1.0 2.0
   52    51    58    59   0.33100  1.0 3.0
   52    51    58    70   0.00000  1.0 1.0
   53    51    58    59   0.33100  1.0 3.0
   53    51    58    70   0.00000  1.0 1.0
   58    70    74    75   0.00000  1.0 1.0
   58    70    74    76   0.00000  1.0 1.0
   58    70    74    77   0.00000  1.0 1.0
   58    70    78    79   0.00000  1.0 1.0
   58    70    78    80   0.00000  1.0 1.0
   58    70    78    81   0.00000  1.0 1.0
   59    58    70    74   7.00000 -1.0 2.0
   59    58    70    78   7.00000 -1.0 2.0
   74    70    78    79   0.34800  1.0 3.0
   74    70    78    80   0.34800  1.0 3.0
   74    70    78    81   0.34800  1.0 3.0
   78    70    74    75   0.34800  1.0 3.0
   78    70    74    76   0.34800  1.0 3.0
   78    70    74    77   0.34800  1.0 3.0
   54    44    49    50   0.30150 -1.0 2.0
   54    44    49    57   0.65300  1.0 1.0
   54    44    49    57  -0.03850 -1.0 2.0
   54    44    49    57   0.33900  1.0 3.0
   54    44    51    52   0.23400  1.0 3.0
   54    44    51    53   0.23400  1.0 3.0
   54    44    51    58   1.05650  1.0 1.0
   54    44    51    58   0.15600 -1.0 2.0
   54    44    51    58   0.53150  1.0 3.0
   45    40    44    49   0.09700  1.0 1.0
   45    40    44    49   0.15600 -1.0 2.0
   45    40    44    49  -0.50800  1.0 3.0
   45    40    44    51   0.09700  1.0 1.0
   45    40    44    51   0.15600 -1.0 2.0
   45    40    44    51  -0.50800  1.0 3.0
   45    40    44    54   0.09700  1.0 1.0
   45    40    44    54   0.15600 -1.0 2.0
   45    40    44    54  -0.50800  1.0 3.0
   41    37    40    44   7.00000 -1.0 2.0
   41    37    40    45   7.00000 -1.0 2.0
   41    47    56    60   7.00000 -1.0 2.0
   41    47    56    64   7.00000 -1.0 2.0
   42    41    47    48   0.33100  1.0 3.0
   42    41    47    56   0.00000  1.0 1.0
   43    41    47    48   0.33100  1.0 3.0
   43    41    47    56   0.00000  1.0 1.0
   47    56    60    61   0.00000  1.0 1.0
   47    56    60    62   0.00000  1.0 1.0
   47    56    60    63   0.00000  1.0 1.0
   47    56    64    65   0.00000  1.0 1.0
   47    56    64    66   0.00000  1.0 1.0
   47    56    64    67   0.00000  1.0 1.0
   48    47    56    60   7.00000 -1.0 2.0
   48    47    56    64   7.00000 -1.0 2.0
   60    56    64    65   0.34800  1.0 3.0
   60    56    64    66   0.34800  1.0 3.0
   60    56    64    67   0.34800  1.0 3.0
   64    56    60    61   0.34800  1.0 3.0
   64    56    60    62   0.34800  1.0 3.0
   64    56    60    63   0.34800  1.0 3.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    41   0.18000  1.0 1.0
   38    33    37    41   0.16450 -1.0 2.0
   38    33    37    41   0.04450  1.0 3.0
   38    33    57    49   0.09700  1.0 1.0
   38    33    57    49   0.15600 -1.0 2.0
   38    33    57    49  -0.50800  1.0 3.0
   38    33    57    68   0.67800  1.0 1.0
   38    33    57    68   0.47050 -1.0 2.0
   38    33    57    68  -0.62500  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    41    37    40   1.10000 -1.0 2.0
   44    45    40    37   1.10000 -1.0 2.0
   44    57    49    50  10.50000 -1.0 2.0
   33    49    57    68   1.10000 -1.0 2.0
   71    69    68    57   1.10000 -1.0 2.0
   51    59    58    70  15.00000 -1.0 2.0
   74    78    70    58  15.00000 -1.0 2.0
   41    48    47    56  15.00000 -1.0 2.0
   60    64    56    47  15.00000 -1.0 2.0
END
