* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    206    340     624
    1     0 S   NP   _N1_     1    29.40583    97.01863   -17.78276
    2     1 S   H    _HN1     2     1.02780    63.48532   -54.56358
    3     1 S   H    _H1_     3     1.02961   102.23811    49.98205
    4     1 S   H    _H2_     4     1.02838    48.72910   152.02869
    5     1 S   CT   _CA1     5     1.50132   146.13141  -145.46387
    6     5 S   HC   _HA1     6     1.09563   105.27682    13.80646
    7     5 S   CO3  _C1_     7     1.53885   112.25219  -106.55115
    8     7 S   O2Z  _O11     8     1.26364   114.99181   -44.11677
    9     7 S   O2Z  _O12     9     1.26227   114.98566   135.08217
   10     5 S   CT   _CB1    10     1.53114   107.42015   131.87560
   11    10 S   HC   HB11    11     1.09811   109.57460   -48.25325
   12    10 S   HC   HB12    12     1.09834   110.35314    68.35196
   13    10 S   CT   _CG1    13     1.53021   112.61437  -169.36971
   14    13 S   HC   HG11    14     1.09420   110.42038   -56.06221
   15    13 S   HC   HG12    15     1.09614   110.25708    62.63719
   16    13 S   C    _CD1    16     1.51847   111.57297  -177.85433
   17    16 S   O    _OE1    17     1.22789   122.65752   -29.62383
   18    16 S   N    _N2_    18     1.38492   112.25577   152.07461
   19    18 S   H    _HN2    19     1.01578   119.13469    -0.47188
   20    18 S   CT1  _CA2    20     1.46197   123.52318   179.05996
   21    20 S   HC   _HA2    21     1.09740   109.35801   -15.46896
   22    20 S   C    _C2_    22     1.53497   107.83446  -130.87883
   23    22 S   O    _O2_    23     1.23003   122.38160  -144.38813
   24    20 S   CT   _CB2    32     1.53590   111.76754   107.00384
   25    24 S   HC   HB21    33     1.09420   109.64076    52.67766
   26    24 S   HC   HB22    34     1.09421   109.56336   171.52099
   27    22 S   N    _N3_    24     1.38551   113.28296    42.87972
   28    27 S   H    _HN3    25     1.01528   118.92282    -0.46939
   29    24 S   S    _SG2    35     1.82951   111.75189   -69.46494
   30    27 S   CT   _CA3    26     1.45441   123.38433   175.14489
   31    30 S   HC   HA31    27     1.09527   109.16116    25.85199
   32    30 S   HC   HA32    28     1.09493   107.13960   142.84981
   33    29 S   CT   _C24    36     1.87822   102.04841   167.87937
   34    30 S   CO3  _C3_    29     1.52931   113.17421   -97.56761
   35    34 S   O2Z  _O31    30     1.26398   115.43618   -43.62068
   36    34 S   O2Z  _O32    31     1.26359   114.96068   137.32178
   37    33 S   CM   _C19    37     1.53384   108.67758   -70.51316
   38    33 S   CT   _C23    49     1.55173   109.40836   172.84955
   39    38 S   HC   _H5_    50     1.09897   109.49035  -177.25398
   40    33 S   CT   _C25   100     1.54429   108.43994    55.49088
   41    40 S   HC   _H22   101     1.09638   111.87837    55.87546
   42    40 S   HC   _H23   102     1.09444   113.09261   -65.38369
   43    40 S   HC   _H24   103     1.09712   110.62475   175.04528
   44    37 S   CM   _C18    38     1.34609   124.44752   111.39238
   45    44 S   HC   _H20    39     1.08415   122.29445    -0.82282
   46    38 S   OH   _O34    51     1.42082   111.88250   -59.25013
   47    46 S   HO   _H25    52     0.97317   107.39640  -179.90935
   48    44 S   CM   _C17    40     1.44233   121.98453   174.05492
   49    48 S   HC   _H19    41     1.08496   115.08621  -156.94789
   50    48 S   CM   _C16    42     1.35145   122.57369    18.40423
   51    50 S   CT   _C15    43     1.54913   117.88914     1.52367
   52    37 S   CM   _C20    44     1.48008   117.24910   -70.24049
   53    51 S   CT   _C14    53     1.54154   109.69997  -153.74776
   54    53 S   HC   _H17    54     1.09869   110.34002  -170.50773
   55    53 S   HC   _H18    55     1.09879   109.00899    75.07778
   56    51 S   CT   _C26    96     1.55120   112.35770    85.52114
   57    56 S   HC   _H26    97     1.09034   112.98601    84.41738
   58    56 S   HC   _H27    98     1.09584   112.38021   -37.76103
   59    56 S   HC   _H28    99     1.09717   111.03924  -158.00841
   60    52 S   CM   _C21    45     1.34620   120.92359   -21.69703
   61    60 S   HC   _H21    46     1.08302   123.15188   177.09782
   62    53 S   CT   _C13    56     1.53809   117.36629   -47.31768
   63    62 S   HC   _H15    57     1.09176   103.77435   147.06969
   64    62 S   HC   _H16    58     1.09737   109.00793  -102.60195
   65    60 S   CO4  _C22    47     1.48351   121.46195    -1.65670
   66    65 S   O    _O33    48     1.22960   119.71028   176.88643
   67    62 S   CT   _C12    59     1.56685   117.77764    23.72572
   68    67 S   CT   _C7_    60     1.60861   111.75563   153.91301
   69    68 S   HC   _H4_    61     1.10137   104.35609    74.50328
   70    50 S   CT   _C11    79     1.56574   121.31547  -171.46323
   71    67 S   CT   _C27    92     1.57263   106.94554   -91.44840
   72    71 S   HC   _H29    93     1.09087   113.27347  -143.26393
   73    71 S   HC   _H30    94     1.09226   112.98689    96.72193
   74    71 S   HC   _H31    95     1.09545   111.88457   -25.85959
   75    68 S   CT   _C6_    62     1.55696   115.19982   -37.42471
   76    75 S   HC   _H9_    63     1.09635   109.48603    66.17251
   77    75 S   HC   _H10    64     1.09156   110.31669   -50.14770
   78    70 S   CT   _C28    80     1.55683   103.86607    81.45611
   79    78 S   HC   _H32    81     1.08888   112.26582  -165.03320
   80    78 S   HC   _H33    82     1.09191   113.41244    73.10549
   81    78 S   HC   _H34    83     1.09783   111.52756   -47.25097
   82    75 S   CT   _C5_    65     1.53145   116.32158  -172.74488
   83    82 S   HC   _H3_    66     1.09837   107.24879   163.73195
   84    82 S   CO4  _C30    67     1.51363   111.54175    48.13704
   85    84 S   O    _O35    68     1.23161   121.43548   174.64072
   86    82 S   CT   _C4_    88     1.52565   112.52063   -78.12963
   87    86 S   HC   _H6_    89     1.09275   112.31298    56.23732
   88    86 S   HC   _H7_    90     1.09538   110.42129   -63.67693
   89    86 S   HC   _H8_    91     1.09517   111.19922   176.84309
   90    84 S   CT   _C29    69     1.51047   117.50683    -3.22367
   91    90 S   HC   _H35    70     1.09165   107.94322    76.71856
   92    90 S   HC   _H36    71     1.09777   107.64181  -168.75433
   93    68 S   CT   _C8_    72     1.58168   114.01010  -169.52473
   94    93 S   CT   _C9_    73     1.54702   113.97186    -2.19205
   95    94 S   HC   _H11    74     1.09786   109.54102   -83.49441
   96    94 S   HC   _H12    75     1.09955   109.71004   164.19823
   97    93 S   CT   _C31    84     1.56011   109.58338  -119.72597
   98    97 S   HC   _H37    85     1.09505   111.60505    58.33917
   99    97 S   HC   _H38    86     1.09166   112.70754   -62.20551
  100    97 S   HC   _H39    87     1.09682   110.91339   177.86889
  101    94 S   CT   _C10    76     1.52653   118.62933    39.56842
  102   101 S   HC   _H13    77     1.09882   108.08438    97.13813
  103   101 S   HC   _H14    78     1.09849   105.00974  -151.39008
  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  12   5   4   3
  17   2   1   1  19  13   6   7   2   1   1   8   4   4   1  10
   3  23  18  13  14   6   5   6   2   1   1   3   2  14   5   4
   1   1  22  26  10  16   7   2   1   1  14   6   5   7   3   2
   1  11   7  11   5   4   2   1   1  11   4   3  10   9   5   4
   4   2   1   1   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    44    52    65    38    39    46    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    44    45    48    51    52    60    65    66    38    39    46    47    40    41    42    43  
   35    36  
   36  
    0  
   44    45    48    49    50    51    52    60    61    65    38    39    46    53    56    40    41    42    43  
   39    46    47    40    41    42    43    44    52    60    61    65    66  
   46    47    40    60    65    66  
   41    42    43    44    46    52    65  
   42    43  
   43  
    0  
   45    48    49    50    51    52    60    70  
   48    49    50    52  
   47    60    65    66  
   65  
   49    50    51    52    53    67   101    70    78    56  
   50    51    70  
   51    52    60    53    54    55    62    67    68    94   101   102   103    70    78    79    80    81    71    56    57    58    59  
   52    60    61    65    53    54    55    62    63    64    67   101    70    78    56    57    58    59  
   60    61    65    66    53    54    55    62    70    56    57    58    59  
   54    55    62    63    64    67    68    70    71    56    57    58    59    60  
   55    62    63    64    67    56  
   62    63    64    67    56  
   57    58    59    60    62    70  
   58    59  
   59  
    0  
   61    65    66  
   65    66  
   63    64    67    68    69    75    93   101    70    78    71    72    73    74  
   64    67    68    70    71  
   67    68    70    71  
   66  
    0  
   68    69    75    76    77    82    90    93    94   101   102   103    70    78    79    80    81    97    71    72    73    74  
   69    75    76    77    82    83    84    90    91    92    93    94    95    96   101    70    78    97    98    99   100    86    71    72    73    74  
   75    76    77    82    90    93    94    70    97    71  
   78    79    80    81    71    72    73    74    75    93    94    95    96   101   102   103  
   72    73    74    75    78    93   101  
   73    74  
   74  
    0  
   76    77    82    83    84    85    90    93    94    97    86    87    88    89  
   77    82    83    84    93    86  
   82    83    84    93    86  
   79    80    81    94   101   102   103  
   80    81   101  
   81   101  
  101  
   83    84    85    90    91    92    93    86    87    88    89  
   84    85    90    86    87    88    89  
   85    90    91    92    93    94    97    86    87    88    89  
   90    91    92    93    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93    94    95    96   101    97    98    99   100  
   92    93    94    97  
   93    94    97  
   94    95    96   101   102   103    97    98    99   100  
   95    96   101   102   103    97    98    99   100  
   96   101   102   103    97  
  101   102   103    97  
   98    99   100   101  
   99   100  
  100  
    0  
  102   103  
  103  
    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   0.167500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   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    38   268.000  1.529
   33    40   268.000  1.529
   37    44   549.000  1.340
   37    52   380.000  1.444
   44    45   340.000  1.080
   44    48   380.000  1.444
   48    49   340.000  1.080
   48    50   549.000  1.340
   50    51   317.000  1.510
   50    70   317.000  1.510
   51    52   317.000  1.510
   51    53   268.000  1.529
   51    56   268.000  1.529
   52    60   549.000  1.340
   60    61   340.000  1.080
   60    65   320.000  1.462
   65    66   570.000  1.229
   65    38   317.000  1.522
   38    39   340.000  1.090
   38    46   320.000  1.410
   46    47   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   268.000  1.529
   67    70   268.000  1.529
   67    71   268.000  1.529
   68    69   340.000  1.090
   68    75   268.000  1.529
   68    93   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    82   268.000  1.529
   82    83   340.000  1.090
   82    84   317.000  1.522
   82    86   268.000  1.529
   84    85   570.000  1.229
   84    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   268.000  1.529
   93    97   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101    70   268.000  1.529
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    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    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    44    70.00000  124.00000
   33    37    52    70.00000  124.00000
   33    38    65    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    46    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    35.00000  120.00000
   37    44    48    70.00000  123.01800
   37    52    51    70.00000  124.00000
   37    52    60    70.00000  123.01800
   44    48    49    35.00000  120.00000
   44    48    50    70.00000  123.01800
   48    44    45    35.00000  120.00000
   48    50    51    70.00000  124.00000
   48    50    70    70.00000  124.00000
   50    48    49    35.00000  120.00000
   50    51    52    70.00000  110.12100
   50    51    53    70.00000  112.02700
   50    51    56    70.00000  112.02700
   50    70    67    70.00000  112.02700
   50    70   101    70.00000  112.02700
   50    70    78    70.00000  112.02700
   51    52    60    70.00000  124.00000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    62    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   52    37    44    70.00000  123.01800
   52    60    61    35.00000  120.00000
   52    60    65    65.00000  118.96000
   60    65    66    80.00000  123.72100
   60    65    38    65.00000  118.62400
   65    60    61    40.00000  117.72500
   65    38    39    35.00000  109.50000
   65    38    46    90.00000  109.61100
   38    33    37    70.00000  112.02700
   38    65    66    80.00000  120.40000
   38    46    47    55.00000  108.50000
   46    38    39    35.00000  109.50000
   53    51    52    70.00000  112.02700
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   62    67    68    58.35000  112.70000
   62    67    70    58.35000  112.70000
   62    67    71    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    75    58.35000  112.70000
   67    68    93    58.35000  112.70000
   67    70   101    58.35000  112.70000
   67    70    78    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    82    58.35000  112.70000
   68    93    90    58.35000  112.70000
   68    93    94    58.35000  112.70000
   68    93    97    58.35000  112.70000
   75    68    69    37.50000  110.70000
   75    82    83    37.50000  110.70000
   75    82    84    63.00000  111.10000
   75    82    86    58.35000  112.70000
   77    75    76    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    77    37.50000  110.70000
   82    84    85    80.00000  120.40000
   82    84    90    70.00000  116.00000
   82    86    87    37.50000  110.70000
   82    86    88    37.50000  110.70000
   82    86    89    37.50000  110.70000
   84    82    83    35.00000  109.50000
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    63.00000  111.10000
   90    84    85    80.00000  120.40000
   90    93    94    58.35000  112.70000
   90    93    97    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    68    69    37.50000  110.70000
   93    68    75    58.35000  112.70000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    94    95    37.50000  110.70000
   93    94    96    37.50000  110.70000
   93    94   101    58.35000  112.70000
   93    97    98    37.50000  110.70000
   93    97    99    37.50000  110.70000
   93    97   100    37.50000  110.70000
   94   101   102    37.50000  110.70000
   94   101   103    37.50000  110.70000
   94   101    70    58.35000  112.70000
   96    94    95    33.00000  107.80000
  101    94    95    37.50000  110.70000
  101    94    96    37.50000  110.70000
  101    70    78    58.35000  112.70000
  103   101   102    33.00000  107.80000
   70    50    51    65.00000  117.92700
   70    67    68    58.35000  112.70000
   70   101   102    37.50000  110.70000
   70   101   103    37.50000  110.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   97    93    94    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   86    82    83    37.50000  110.70000
   86    82    84    63.00000  111.10000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   71    67    68    58.35000  112.70000
   71    67    70    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   56    51    52    70.00000  112.02700
   56    51    53    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   40    33    37    70.00000  112.02700
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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
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  102   101    70    78   0.15000  1.0 3.0
  103   101    70    50   0.15000  1.0 3.0
  103   101    70    67   0.15000  1.0 3.0
  103   101    70    78   0.15000  1.0 3.0
   70    50    51    52   0.09700  1.0 1.0
   70    50    51    52   0.15600 -1.0 2.0
   70    50    51    52  -0.50800  1.0 3.0
   70    50   -51    53   0.46850  1.0 1.0
   70    50   -51    53   0.08550 -1.0 2.0
   70    50   -51    53   0.09800  1.0 3.0
   70    50    51    56   0.46850  1.0 1.0
   70    50    51    56   0.08550 -1.0 2.0
   70    50    51    56   0.09800  1.0 3.0
   70    67    68    69   0.15000  1.0 3.0
   70    67    68    75   0.56750  1.0 1.0
   70    67    68    75  -0.07550 -1.0 2.0
   70    67    68    75   0.20000  1.0 3.0
   70    67   -68    93   0.56750  1.0 1.0
   70    67   -68    93  -0.07550 -1.0 2.0
   70    67   -68    93   0.20000  1.0 3.0
   70    67    71    72   0.15000  1.0 3.0
   70    67    71    73   0.15000  1.0 3.0
   70    67    71    74   0.15000  1.0 3.0
   97    93    94    95   0.15000  1.0 3.0
   97    93    94    96   0.15000  1.0 3.0
   97    93    94   101   0.56750  1.0 1.0
   97    93    94   101  -0.07550 -1.0 2.0
   97    93    94   101   0.20000  1.0 3.0
   86    82    84    85   0.30150 -1.0 2.0
   86    82    84    90   0.60050  1.0 1.0
   86    82    84    90   0.05600 -1.0 2.0
   86    82    84    90   0.26150  1.0 3.0
   71    67    68    69   0.15000  1.0 3.0
   71    67    68    75   0.56750  1.0 1.0
   71    67    68    75  -0.07550 -1.0 2.0
   71    67    68    75   0.20000  1.0 3.0
   71    67    68    93   0.56750  1.0 1.0
   71    67    68    93  -0.07550 -1.0 2.0
   71    67    68    93   0.20000  1.0 3.0
   71    67    70    50   0.34400  1.0 1.0
   71    67    70    50   0.09450 -1.0 2.0
   71    67    70    50   0.11100  1.0 3.0
   71    67    70   101   0.56750  1.0 1.0
   71    67    70   101  -0.07550 -1.0 2.0
   71    67    70   101   0.20000  1.0 3.0
   71    67    70    78   0.56750  1.0 1.0
   71    67    70    78  -0.07550 -1.0 2.0
   71    67    70    78   0.20000  1.0 3.0
   56    51    52    37   0.98200  1.0 1.0
   56    51    52    37  -0.11900 -1.0 2.0
   56    51    52    37   0.24250  1.0 3.0
   56    51    52    60   0.09850  1.0 1.0
   56    51    52    60   0.15250 -1.0 2.0
   56    51    52    60  -0.50650  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    62   0.56750  1.0 1.0
   56    51    53    62  -0.07550 -1.0 2.0
   56    51    53    62   0.20000  1.0 3.0
   40    33    37    44   0.09850  1.0 1.0
   40    33    37    44   0.15250 -1.0 2.0
   40    33    37    44  -0.50650  1.0 3.0
   40    33    37    52   0.98200  1.0 1.0
   40    33    37    52  -0.11900 -1.0 2.0
   40    33    37    52   0.24250  1.0 3.0
   40    33    38    65  -0.95700  1.0 1.0
   40    33    38    65  -0.18200 -1.0 2.0
   40    33    38    65   0.29450  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    46   0.86500  1.0 1.0
   40    33    38    46  -0.17500 -1.0 2.0
   40    33    38    46   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    52    37    44   1.10000 -1.0 2.0
   48    45    44    37   1.10000 -1.0 2.0
   44    49    48    50   1.10000 -1.0 2.0
   51    70    50    48   1.10000 -1.0 2.0
   37    51    52    60   1.10000 -1.0 2.0
   65    61    60    52   1.10000 -1.0 2.0
   60    38    65    66  10.50000 -1.0 2.0
   82    90    84    85  10.50000 -1.0 2.0
END
