* LIGAND DATABASE FILE (OPLS2005)
*
001     101   106    197    331     598
    1     0 S   NP   _N1_     1    28.93319    99.85832   -21.91187
    2     1 S   H    _HN1     2     1.02951    57.44406    36.27701
    3     1 S   H    _H1_     3     1.02829    62.45331   172.82201
    4     1 S   H    _H2_     4     1.02786    89.02026   -76.35527
    5     1 S   CT   _CA1     5     1.50120   158.61038    96.52164
    6     5 S   HC   _HA1     6     1.09572   105.19602   126.36805
    7     5 S   CO3  _C1_     7     1.53788   112.46459     6.11568
    8     7 S   O2Z  _O11     8     1.26376   115.00331   -42.18219
    9     7 S   O2Z  _O12     9     1.26239   114.94919   136.93772
   10     5 S   CT   _CB1    10     1.53073   107.41898  -115.61981
   11    10 S   HC   HB11    11     1.09835   109.38806   -49.42482
   12    10 S   HC   HB12    12     1.09815   110.43345    67.18042
   13    10 S   CT   _CG1    13     1.52999   112.62449  -170.39045
   14    13 S   HC   HG11    14     1.09580   110.65327   -65.57347
   15    13 S   HC   HG12    15     1.09668   109.78923    53.68449
   16    13 S   C    _CD1    16     1.51785   112.16168   174.16084
   17    16 S   O    _OE1    17     1.22747   123.26349     7.66608
   18    16 S   N    _N2_    18     1.38665   111.72191  -172.49209
   19    18 S   H    _HN2    19     1.01578   119.04174     1.57470
   20    18 S   CT1  _CA2    20     1.46134   123.24021   177.87072
   21    20 S   HC   _HA2    21     1.09697   109.21658     3.03396
   22    20 S   C    _C2_    22     1.53502   108.75203  -112.35826
   23    22 S   O    _O2_    23     1.23060   122.28130  -147.64667
   24    20 S   CT   _CB2    32     1.53284   111.79009   124.92737
   25    24 S   HC   HB21    33     1.09531   110.26615    58.41887
   26    24 S   HC   HB22    34     1.09531   109.81979   177.46449
   27    22 S   N    _N3_    24     1.38329   113.69367    39.83398
   28    27 S   H    _HN3    25     1.01584   119.59826    -3.46181
   29    24 S   S    _SG2    35     1.82693   111.56266   -62.67262
   30    27 S   CT   _CA3    26     1.45275   123.18623   177.03549
   31    30 S   HC   HA31    27     1.09553   107.52253   -64.00364
   32    30 S   HC   HA32    28     1.09558   107.96811    52.42457
   33    29 S   CT   _C18    36     1.85925    99.95338  -176.39359
   34    33 S   HC   _H8_    37     1.09650   103.16476     8.44062
   35    30 S   CO3  _C3_    29     1.52953   114.09224   174.39702
   36    35 S   O2Z  _O31    30     1.26376   116.08142    -1.20106
   37    35 S   O2Z  _O32    31     1.26428   114.40459   178.86220
   38    33 S   CT   _C9_    38     1.56961   115.64623   123.21125
   39    38 S   HC   _H5_    39     1.09478   105.30133   168.55559
   40    33 S   CT   _C17    59     1.57346   111.45081  -104.42682
   41    38 S   CT   _C8_    40     1.55151   111.34116   -77.39617
   42    41 S   HC   _H4_    41     1.09437   110.72619   -53.98021
   43    40 S   CT   _C19    60     1.55533   112.28593   165.04395
   44    43 S   HC   _H15    61     1.09544   110.89815  -165.44360
   45    43 S   HC   _H16    62     1.09058   113.12776    72.51421
   46    40 S   OH   _O35    65     1.45333   106.89702    52.11082
   47    46 S   HO   _H18    66     0.97349   107.21907    65.27251
   48    41 S   CT   _C7_    42     1.55185   113.00029   176.78594
   49    43 S   OH   _O34    63     1.42782   110.27858   -47.99105
   50    49 S   HO   _H17    64     0.97285   106.91759  -177.91963
   51    41 S   OS   _O39    88     1.42761   106.68649    65.22499
   52    48 S   CT   _C6_    43     1.53412   111.78722    18.79321
   53    52 S   HC   _H12    44     1.09763   110.26164   178.27501
   54    52 S   HC   _H13    45     1.09804   109.88368    62.04604
   55    48 S   OS   _O40    89     1.44580   104.19757   -93.59322
   56    48 S   CM   _C28    94     1.52619   112.30337   147.11853
   57    52 S   CT   _C5_    46     1.56075   112.16178   -58.84511
   58    57 S   HC   _H3_    47     1.09311   104.45327   148.31906
   59    56 S   CM   _C29    95     1.34467   123.38939   107.35451
   60    59 S   HC   _H29    96     1.08544   121.35661   179.97202
   61    59 S   HC   _H30    97     1.08458   122.20898    -0.19483
   62    56 S   CT   _C30    98     1.50768   117.10885   -72.48726
   63    62 S   HC   _H31    99     1.09438   110.57892   -66.95562
   64    62 S   HC   _H32   100     1.09398   111.00365    53.61077
   65    62 S   HC   _H33   101     1.09558   112.06403   173.38215
   66    38 S   CT   _C10    48     1.56907   119.71425    47.56896
   67    57 S   CT   _C4_    90     1.53820   109.53773   -99.15124
   68    67 S   HC   _H9_    91     1.09209   112.91548    75.40487
   69    67 S   HC   _H10    92     1.09608   110.68053   -45.03953
   70    67 S   HC   _H11    93     1.09095   111.76355  -162.36196
   71    66 S   CT   _C11    49     1.55917   111.55877    33.64942
   72    71 S   HC   _H6_    50     1.09717   106.94956   -76.21271
   73    66 S   OS   _O38    75     1.46059   109.24687   -81.17903
   74    71 S   CM   _C12    51     1.50666   117.68127   171.87380
   75    74 S   HC   _H14    52     1.08314   121.93197    41.75525
   76    73 S   CO   _C21    76     1.44161   115.74895   -42.81441
   77    74 S   CM   _C13    53     1.33517   115.14218  -145.38259
   78    76 S   CA   _C22    77     1.51357   107.63978   179.20377
   79    77 S   CO4  _C14    54     1.47375   105.58621     2.40778
   80    79 S   O    _O33    55     1.22278   122.88210  -173.82149
   81    77 S   CT   _C20    71     1.47756   130.25477  -175.31546
   82    81 S   HC   _H21    72     1.09444   110.59361   119.54337
   83    81 S   HC   _H22    73     1.09476   111.40582    -0.48295
   84    81 S   HC   _H23    74     1.09442   110.45348  -120.42203
   85    78 S   CA   _C23    78     1.40373   121.43457   -97.61912
   86    85 S   HA   _H24    79     1.08649   120.67270    -1.43286
   87    71 S   CT   _C15    56     1.54617   118.35668    45.81508
   88    85 S   CA   _C24    80     1.39667   120.89197   178.41070
   89    88 S   HA   _H25    81     1.08641   119.85828   179.91607
   90    87 S   CT   _C16    57     1.54312   112.76243   -90.43796
   91    90 S   HC   _H7_    58     1.09757   109.35482   -55.59140
   92    87 S   OH   _O37    69     1.41873   113.98441    36.44522
   93    92 S   HO   _H20    70     0.97232   109.06702    64.51160
   94    88 S   CA   _C25    82     1.39234   120.10952    -0.31959
   95    94 S   HA   _H26    83     1.08600   120.07471  -179.93147
   96    90 S   OH   _O36    67     1.44111   109.34796  -169.76888
   97    96 S   HO   _H19    68     0.97329   108.05078    57.30014
   98    94 S   CA   _C26    84     1.39234   119.82945    -0.22468
   99    98 S   HA   _H27    85     1.08626   120.00663  -179.59266
  100    78 S   CA   _C27    86     1.40495   120.33546    79.82653
  101   100 S   HA   _H28    87     1.08743   120.34769     1.30791
  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  10   5   4   3
  22   8   2   1   1  22   9  17  16   7  10   5   4   6   1  20
   2   1   9  16   7   6  10   9  12   7   6   2   1   3   2   1
   1  16   5   2   1   1  15   8   6  11   4   7   9   9  11   4
   4   2   1   1   8   4   6   6   3   5   3   2   1   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    66    90    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    48    57    66    71    87    90    91    40    43    44    45    49    46    47    96    73    51  
   38    39    41    66    90    40    43    46  
   36    37  
   37  
    0  
   39    41    42    48    52    57    58    66    71    72    74    87    90    40    43    46    73    76    51    55    67    56  
   41    42    48    57    66    71    40    73    51  
   43    44    45    49    50    46    47    96    97    92    41    66    71    79    87    90    91  
   42    48    52    53    54    57    66    71    73    76    78    51    55    56    59    62  
   48    52    66    76    51    55    56  
   44    45    49    50    46    47    96    87    90    91  
   45    49    50    46    90  
   49    50    46    90  
   47    96    49    87    90    91  
   90  
   52    53    54    57    58    66    73    76    78    51    55    67    56    59    60    61    62    63    64    65  
   50    90  
    0  
   55    56    52    66    73    76    78    85   100  
   53    54    57    58    66    71    73    76    55    67    68    69    70    56    59    62  
   54    57    58    66    55    67    56  
   57    58    66    55    67    56  
   56    59    62    57    66    73    76    78    85   100  
   59    60    61    62    63    64    65    57    76  
   58    66    71    72    74    87    73    76    67    68    69    70  
   66    71    73    67    68    69    70  
   60    61    62    63    64    65  
   61    62  
   62  
   63    64    65  
   64    65  
   65  
    0  
   71    72    74    75    77    79    87    90    92    73    76    78    67    68    69    70  
   68    69    70    71    73  
   69    70  
   70  
    0  
   72    74    75    77    79    80    87    90    91    96    92    93    81    73    76  
   74    75    77    79    87    90    92    73  
   76    78    85   100    74    87  
   75    77    79    80    87    90    92    81    82    83    84  
   77    79    87    81  
   78    85    86    88    98   100   101  
   79    80    87    90    92    81    82    83    84  
   85    86    88    89    94    98    99   100   101  
   80    87    90    91    96    92    93    81    82    83    84  
   87    90    92    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86    88    89    94    95    98   100   101  
   88    89    94   100  
   90    91    96    97    92    93  
   89    94    95    98    99   100  
   94    95    98  
   91    96    97    92    93  
   96    97    92  
   93    96  
    0  
   95    98    99   100   101  
   98    99   100  
   97  
    0  
   99   100   101  
  100   101  
  101  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.715000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  100   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  101   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    66   268.000  1.529
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    51   320.000  1.410
   48    52   268.000  1.529
   48    55   320.000  1.410
   48    56   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    66   268.000  1.529
   57    67   268.000  1.529
   66    71   268.000  1.529
   66    73   320.000  1.410
   71    72   340.000  1.090
   71    74   317.000  1.510
   71    87   268.000  1.529
   74    75   340.000  1.080
   74    77   549.000  1.340
   77    79   320.000  1.462
   77    81   317.000  1.510
   79    80   570.000  1.229
   79    87   317.000  1.522
   87    90   268.000  1.529
   87    92   320.000  1.410
   90    91   340.000  1.090
   90    40   268.000  1.529
   90    96   320.000  1.410
   40    43   268.000  1.529
   40    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   320.000  1.410
   49    50   553.000  0.945
   46    47   553.000  0.945
   96    97   553.000  0.945
   92    93   553.000  0.945
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   73    76   320.000  1.380
   76    78   270.000  1.504
   76    51   320.000  1.380
   76    55   320.000  1.380
   78    85   469.000  1.400
   78   100   469.000  1.400
   85    86   367.000  1.080
   85    88   469.000  1.400
   88    89   367.000  1.080
   88    94   469.000  1.400
   94    95   367.000  1.080
   94    98   469.000  1.400
   98    99   367.000  1.080
   98   100   469.000  1.400
  100   101   367.000  1.080
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   56    59   549.000  1.340
   56    62   317.000  1.510
   59    60   340.000  1.080
   59    61   340.000  1.080
   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    66    58.35000  112.70000
   33    40    90    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    48    58.35000  112.70000
   38    41    51    50.00000  109.50000
   38    66    57    58.35000  112.70000
   38    66    71    58.35000  112.70000
   38    66    73    50.00000  109.50000
   41    38    39    37.50000  110.70000
   41    48    52    58.35000  112.70000
   41    48    55    50.00000  109.50000
   41    48    56    70.00000  112.02700
   41    51    76    60.00000  109.50000
   48    41    42    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    57    58.35000  112.70000
   48    55    76    60.00000  109.50000
   48    56    59    70.00000  124.00000
   48    56    62    65.00000  117.92700
   52    57    58    37.50000  110.70000
   52    57    66    58.35000  112.70000
   52    57    67    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    66    71    58.35000  112.70000
   57    66    73    50.00000  109.50000
   57    67    68    37.50000  110.70000
   57    67    69    37.50000  110.70000
   57    67    70    37.50000  110.70000
   66    38    39    37.50000  110.70000
   66    38    41    58.35000  112.70000
   66    57    58    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    74    70.00000  112.02700
   66    71    87    58.35000  112.70000
   66    73    76    60.00000  109.50000
   71    74    75    35.00000  117.00000
   71    74    77    70.00000  124.00000
   71    87    79    63.00000  111.10000
   71    87    90    58.35000  112.70000
   71    87    92    50.00000  109.50000
   74    71    72    35.00000  109.50000
   74    77    79    65.00000  118.96000
   74    77    81    70.00000  124.00000
   77    74    75    35.00000  120.00000
   77    79    80    80.00000  123.72100
   77    79    87    65.00000  118.62400
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   79    87    90    63.00000  111.10000
   79    87    92    90.00000  109.61100
   87    71    72    37.50000  110.70000
   87    71    74    70.00000  112.02700
   87    79    80    80.00000  120.40000
   87    90    91    37.50000  110.70000
   87    90    40    58.35000  112.70000
   87    90    96    50.00000  109.50000
   87    92    93    55.00000  108.50000
   90    40    43    58.35000  112.70000
   90    40    46    50.00000  109.50000
   90    96    97    55.00000  108.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    90    91    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    49    50.00000  109.50000
   40    46    47    55.00000  108.50000
   43    49    50    55.00000  108.50000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   46    40    43    50.00000  109.50000
   96    90    91    35.00000  109.50000
   96    90    40    50.00000  109.50000
   92    87    90    50.00000  109.50000
   81    77    79    65.00000  116.34900
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   73    66    71    50.00000  109.50000
   73    76    78    90.00000  107.97000
   73    76    51    92.60000  111.55000
   73    76    55    92.60000  111.55000
   76    78    85    60.00000  120.68000
   76    78   100    60.00000  120.68000
   78    85    86    35.00000  120.00000
   78    85    88    63.00000  120.00000
   78   100    98    63.00000  120.00000
   78   100   101    35.00000  120.00000
   85    88    89    35.00000  120.00000
   85    88    94    63.00000  120.00000
   88    85    86    35.00000  120.00000
   88    94    95    35.00000  120.00000
   88    94    98    63.00000  120.00000
   94    88    89    35.00000  120.00000
   94    98    99    35.00000  120.00000
   94    98   100    63.00000  120.00000
   98    94    95    35.00000  120.00000
   98   100   101    35.00000  120.00000
  100    78    85    63.00000  120.00000
  100    98    99    35.00000  120.00000
   51    41    42    35.00000  109.50000
   51    41    48    50.00000  109.50000
   51    76    78    90.00000  107.97000
   55    48    52    50.00000  109.50000
   55    76    78    90.00000  107.97000
   55    76    51    92.60000  111.55000
   67    57    58    37.50000  110.70000
   67    57    66    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   56    48    52    70.00000  112.02700
   56    48    55    85.00000  110.90400
   56    59    60    35.00000  120.00000
   56    59    61    35.00000  120.00000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    35.00000  109.50000
   61    59    60    35.00000  117.00000
   62    56    59    70.00000  124.00000
   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
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   76    78   100    98   3.62500 -1.0 2.0
   76    78   100   101   3.62500 -1.0 2.0
   78    76    51    41  -0.46050  1.0 1.0
   78    76    51    41  -0.83350 -1.0 2.0
   78    76    51    41   0.35650  1.0 3.0
   78    76    55    48  -0.46050  1.0 1.0
   78    76    55    48  -0.83350 -1.0 2.0
   78    76    55    48   0.35650  1.0 3.0
   78    85    88    89   3.62500 -1.0 2.0
   78    85    88    94   3.62500 -1.0 2.0
   85    78   100    98   3.62500 -1.0 2.0
   85    78   100   101   3.62500 -1.0 2.0
   85    88    94    95   3.62500 -1.0 2.0
   85    88   -94    98   3.62500 -1.0 2.0
   86    85    88    89   3.62500 -1.0 2.0
   86    85    88    94   3.62500 -1.0 2.0
   88    94    98    99   3.62500 -1.0 2.0
   88    94    98   100   3.62500 -1.0 2.0
   89    88    94    95   3.62500 -1.0 2.0
   89    88    94    98   3.62500 -1.0 2.0
   94    98  -100    78   3.62500 -1.0 2.0
   94    98   100   101   3.62500 -1.0 2.0
   95    94    98    99   3.62500 -1.0 2.0
   95    94    98   100   3.62500 -1.0 2.0
   99    98   100    78   3.62500 -1.0 2.0
   99    98   100   101   3.62500 -1.0 2.0
  100    78    85    86   3.62500 -1.0 2.0
  100    78   -85    88   3.62500 -1.0 2.0
   51    41    48    52   0.62750  1.0 1.0
   51    41    48    52  -0.30950 -1.0 2.0
   51    41    48    52   0.27300  1.0 3.0
   51    41   -48    55   1.11900  1.0 1.0
   51    41   -48    55  -1.16350 -1.0 2.0
   51    41   -48    55  -0.34150  1.0 3.0
   51    41    48    56   0.61850  1.0 1.0
   51    41    48    56  -0.22750 -1.0 2.0
   51    41    48    56   0.15300  1.0 3.0
   51    76    78    85   0.64500  1.0 1.0
   51    76    78    85   0.14800 -1.0 2.0
   51    76    78    85   0.20650  1.0 3.0
   51    76    78   100   0.64500  1.0 1.0
   51    76    78   100   0.14800 -1.0 2.0
   51    76    78   100   0.20650  1.0 3.0
   51    76   -55    48  -0.53350  1.0 1.0
   51    76   -55    48  -0.78350 -1.0 2.0
   51    76   -55    48   0.33750  1.0 3.0
   55    48    52    53   0.23400  1.0 3.0
   55    48    52    54   0.23400  1.0 3.0
   55    48    52    57   0.62750  1.0 1.0
   55    48    52    57  -0.30950 -1.0 2.0
   55    48    52    57   0.27300  1.0 3.0
   55    48    56    59   0.39000  1.0 1.0
   55    48    56    59  -0.05800 -1.0 2.0
   55    48    56    59  -0.55150  1.0 3.0
   55    48    56    62   0.09700  1.0 1.0
   55    48    56    62   0.15600 -1.0 2.0
   55    48    56    62  -0.50800  1.0 3.0
   55    76    78    85   0.64500  1.0 1.0
   55    76    78    85   0.14800 -1.0 2.0
   55    76    78    85   0.20650  1.0 3.0
   55    76    78   100   0.64500  1.0 1.0
   55    76    78   100   0.14800 -1.0 2.0
   55    76    78   100   0.20650  1.0 3.0
   55    76   -51    41  -0.53350  1.0 1.0
   55    76   -51    41  -0.78350 -1.0 2.0
   55    76   -51    41   0.33750  1.0 3.0
   67    57    66    38   0.56750  1.0 1.0
   67    57    66    38  -0.07550 -1.0 2.0
   67    57    66    38   0.20000  1.0 3.0
   67    57    66    71   0.56750  1.0 1.0
   67    57    66    71  -0.07550 -1.0 2.0
   67    57    66    71   0.20000  1.0 3.0
   67    57    66    73   0.62750  1.0 1.0
   67    57    66    73  -0.30950 -1.0 2.0
   67    57    66    73   0.27300  1.0 3.0
   56    48    52    53   0.15000  1.0 3.0
   56    48    52    54   0.15000  1.0 3.0
   56    48    52    57   0.34400  1.0 1.0
   56    48    52    57   0.09450 -1.0 2.0
   56    48    52    57   0.11100  1.0 3.0
   56    48    55    76  -0.77900  1.0 1.0
   56    48    55    76  -0.36900 -1.0 2.0
   56    48    55    76   0.40400  1.0 3.0
   59    56    62    63   0.00000  1.0 1.0
   59    56    62    64   0.00000  1.0 1.0
   59    56    62    65   0.00000  1.0 1.0
   62    56    59    60   7.00000 -1.0 2.0
   62    56    59    61   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   71    75    74    77   1.10000 -1.0 2.0
   79    81    77    74   1.10000 -1.0 2.0
   77    87    79    80  10.50000 -1.0 2.0
   85   100    78    76   4.00000 -1.0 2.0
   88    86    85    78   1.10000 -1.0 2.0
   94    89    88    85   1.10000 -1.0 2.0
   98    95    94    88   1.10000 -1.0 2.0
  100    99    98    94   1.10000 -1.0 2.0
   98   101   100    78   1.10000 -1.0 2.0
   48    62    56    59  15.00000 -1.0 2.0
   60    61    59    56  15.00000 -1.0 2.0
END
