* LIGAND DATABASE FILE (OPLS2005)
*
001     106   111    219    366     665
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02038   105.63083   -27.90206
    3     1 S   H    _H1_     3     1.02096    64.35490    75.67602
    4     1 S   H    _H2_     4     1.02146    48.11132  -129.17769
    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   167.74441
   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    57.98762
   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     8.59078
   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   105.32505
   25    24 S   HC   HB21    33     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C26    36     1.86800    96.62666   161.85761
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C16    37     1.56295   107.60167    39.99551
   38    37 S   HC   _H51    38     1.10090   109.26312   -38.54496
   39    33 S   CT   _C25    77     1.57231   109.12320   161.62841
   40    33 S   CT   _C30   103     1.54278   103.71883   -77.20995
   41    40 S   HC   _H68   104     1.08365   109.02241   -64.86669
   42    40 S   HC   _H69   105     1.08353   109.03478   175.10711
   43    40 S   HC   _H70   106     1.08368   109.04826    55.10386
   44    37 S   CO4  _C6_    39     1.54131   117.82094  -156.05528
   45    44 S   O    _O29    40     1.22356   124.62427    50.48741
   46    39 S   CT   _C20    78     1.59329   114.88204    66.29744
   47    46 S   HC   _H55    79     1.09338   111.79807   -15.22322
   48    44 S   CT   _C15    41     1.51320   111.45186  -136.23441
   49    48 S   HC   _H50    42     1.10138   105.08451   -82.47125
   50    46 S   CT   _C21    80     1.53108   102.07412   101.13599
   51    50 S   HC   _H56    81     1.09725   106.84538   -79.32815
   52    46 S   CT   _C28    99     1.53530   116.28223  -136.47162
   53    52 S   HC   _H62   100     1.08670   109.43892   -55.46015
   54    52 S   HC   _H63   101     1.08583   109.44517  -175.46499
   55    52 S   HC   _H64   102     1.08632   109.41414    64.49465
   56    48 S   CT   _C17    43     1.52496   100.24677    30.17933
   57    56 S   HC   _H52    44     1.09519   110.44599    77.16939
   58    50 S   CT   _C22    82     1.50972   101.09204    35.47859
   59    58 S   HC   _H57    83     1.09829   112.03342    69.87306
   60    56 S   CT   _C7_    45     1.52729   109.35923  -164.73388
   61    60 S   HC   _H34    46     1.09571   109.52952  -166.89787
   62    60 S   HC   _H35    47     1.09671   111.07905    74.96613
   63    37 S   CT   _C18    69     1.55546   116.19005    83.21695
   64    63 S   HC   _H53    70     1.09955   107.77396  -132.76659
   65    58 S   CT   _C13    84     1.51860   110.39988  -168.53655
   66    65 S   HC   _H46    85     1.09600   110.12049  -177.79558
   67    65 S   HC   _H47    86     1.09755   110.12204    65.54356
   68    39 S   OS   _O30    98     1.47156   105.65971  -179.37193
   69    60 S   CM   _C4_    48     1.50589   111.21338   -46.05766
   70    69 S   HC   _H33    49     1.08748   115.75389  -165.23884
   71    63 S   CT   _C9_    71     1.51864   114.46822   -12.99084
   72    71 S   HC   _H38    72     1.09721   108.08252   -75.46882
   73    71 S   HC   _H39    73     1.09695   110.47522   170.92680
   74    65 S   CT   _C19    87     1.53918   108.76359   -56.37044
   75    74 S   HC   _H54    88     1.09864   107.98998   -67.39740
   76    69 S   CM   _C5_    50     1.34892   124.70321    13.94828
   77    71 S   CT   _C12    74     1.53218   115.77007    46.44423
   78    77 S   HC   _H44    75     1.09795   107.93424    95.52368
   79    77 S   HC   _H45    76     1.09360   104.66764  -151.40896
   80    74 S   CT   _C14    89     1.54565   111.52475    51.01370
   81    80 S   HC   _H48    90     1.09746   110.17910    70.64037
   82    80 S   HC   _H49    91     1.09648   109.22464  -172.38413
   83    74 S   CT   _C27    94     1.52631   110.68462   174.78846
   84    83 S   HC   _H59    95     1.08927   109.85232   -62.12655
   85    83 S   HC   _H60    96     1.08893   109.86211   177.90044
   86    83 S   HC   _H61    97     1.08915   109.85025    57.90920
   87    76 S   CT   _C8_    51     1.50916   120.54773  -178.26686
   88    87 S   HC   _H36    52     1.09688   111.68572    -6.42498
   89    87 S   HC   _H37    53     1.09770   109.50678   109.45742
   90    50 S   NTH  _N28    92     1.45610   120.12987   157.86604
   91    90 S   H    _H71    93     1.01930   109.73210    60.84696
   92    87 S   CT   _C23    54     1.52748   111.64834  -128.62457
   93    92 S   HC   _H58    55     1.10272   109.38646    67.57897
   94    92 S   CT   _C10    56     1.52760   111.64286   -53.63753
   95    94 S   HC   _H40    57     1.09662   110.14921   -67.37565
   96    94 S   HC   _H41    58     1.09715   109.53524   177.26462
   97    92 S   OH   _O33    67     1.42445   109.52381  -174.94158
   98    97 S   HO   _H72    68     0.97043   106.55454   -59.98702
   99    94 S   CT   _C11    59     1.52823   111.23329    55.83920
  100    99 S   HC   _H42    60     1.09866   107.55853    67.59514
  101    99 S   HC   _H43    61     1.09631   108.62223  -177.88003
  102    48 S   CT   _C24    62     1.55071   120.83729   153.73522
  103   102 S   CT   _C29    63     1.54394   111.93106   -45.56532
  104   103 S   HC   _H65    64     1.08298   108.99334    60.21468
  105   103 S   HC   _H66    65     1.08298   108.97500   -59.76668
  106   103 S   HC   _H67    66     1.08296   108.94763  -179.74436
  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  13   5   4   3
  23   2   1   1  22   9  25   8   2   1   1  13   5  18  10  21
   8  18   8   7   2   1   1  16   8  12   6  10   5   4   9   4
  13   6   5   6   9   3   5   4   3  10   8  15   2   1   1   8
   4   3   4   2   1   1  12   6   5   1   1  10   6   9   6   5
   2   1   7   3   2   4   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    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    63    77    39    46    68    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    48    56    63    64    71    77    78    79    39    46    47    50    58    68    52    40    41    42    43  
   35    36  
   36  
    0  
   38    44    45    48    49    56    57    60   102    63    64    71    72    73    77    39    46    68    40    41    42    43  
   44    45    48    56    63    64    71    39    40  
   46    47    50    51    58    59    65    90    68    52    53    54    55    40    41    42    43    44    63    71    72    73    77    78    79  
   41    42    43    44    46    63    68    77  
   42    43  
   43  
    0  
   45    48    49    56    57    60    76    99   102   103    63    64    71  
   48    49    56   102    63  
   47    50    51    58    59    65    80    90    91    68    52    53    54    55    71    77    78    79  
   50    51    58    90    68    52    53    54    55    77  
   49    56    57    60    61    62    69    76    87    94    99   100   101   102   103   104   105   106    63    64    71  
   56    57    60    76    99   102   103    63  
   51    58    59    65    66    67    74    80    81    82    90    91    68    52    53    54    55    77  
   58    59    65    80    90    91    68    52  
   53    54    55    58    68    77    90  
   54    55  
   55  
    0  
   57    60    61    62    69    70    76    99   102   103    63    64    71    72    73    77  
   60    61    62    69   102    63    64    71  
   59    65    66    67    74    75    80    90    91    83    68    77  
   65    66    67    74    90    68  
   61    62    69    70    76    87   102    63    64    71  
   62    69    70    76    63  
   69    70    76    63  
   64    71    72    73    77    78    79    69   102  
   71    72    73    77  
   66    67    74    75    80    81    82    90    83    84    85    86    68  
   67    74    75    80    83    68  
   74    75    80    83    68  
   71    74    77    78    79    90  
   70    76    87    88    89    92    99   102   103  
   76    87   102  
   72    73    77    78    79  
   73    77    78    79  
   77    78    79  
   75    80    81    82    90    91    83    84    85    86  
   80    81    82    90    83    84    85    86  
   87    88    89    92    93    94    99   100   101   102   103   104   105   106    97  
   78    79  
   79  
    0  
   81    82    90    91    83    84    85    86  
   82    90    91    83  
   90    91    83  
   84    85    86    90  
   85    86  
   86  
    0  
   88    89    92    93    94    95    96    99   102   103    97    98  
   89    92    93    94   102    97  
   92    93    94   102    97  
   91  
    0  
   93    94    95    96    99   100   101   102    97    98  
   94    95    96    99    97    98  
   95    96    99   100   101   102   103    97    98  
   96    99   100   101   102    97  
   99   100   101   102    97  
   98    99  
    0  
  100   101   102   103   104   105   106  
  101   102   103  
  102   103  
  103   104   105   106  
  104   105   106  
  105   106  
  106  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   91   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   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   268.000  1.529
   33    39   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    44   317.000  1.522
   37    63   268.000  1.529
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    56   268.000  1.529
   48   102   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    69   317.000  1.510
   69    70   340.000  1.080
   69    76   549.000  1.340
   76    87   317.000  1.510
   76   102   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    92   268.000  1.529
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    97   320.000  1.410
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   97    98   553.000  0.945
   63    64   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    39   268.000  1.529
   39    46   268.000  1.529
   39    68   320.000  1.410
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   268.000  1.529
   50    51   340.000  1.090
   50    58   268.000  1.529
   50    90   305.000  1.454
   58    59   340.000  1.090
   58    65   268.000  1.529
   58    68   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    74   268.000  1.529
   74    75   340.000  1.090
   74    80   268.000  1.529
   74    83   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    90   305.000  1.454
   90    91   500.000  1.015
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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  111.63000
   29    33    39    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    37    63    58.35000  112.70000
   33    39    77    58.35000  112.70000
   33    39    46    58.35000  112.70000
   33    39    68    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    80.00000  120.40000
   37    44    48    70.00000  116.00000
   37    63    56    58.35000  112.70000
   37    63    64    37.50000  110.70000
   37    63    71    58.35000  112.70000
   44    37    38    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    56    63.00000  111.10000
   44    48   102    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    56    57    37.50000  110.70000
   48    56    60    58.35000  112.70000
   48    56    63    58.35000  112.70000
   48   102    76    70.00000  112.02700
   48   102    99    58.35000  112.70000
   48   102   103    58.35000  112.70000
   56    48    49    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    69    70.00000  112.02700
   56    63    64    37.50000  110.70000
   56    63    71    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    69    70    35.00000  117.00000
   60    69    76    70.00000  124.00000
   62    60    61    33.00000  107.80000
   69    60    61    35.00000  109.50000
   69    60    62    35.00000  109.50000
   69    76    87    70.00000  124.00000
   69    76   102    70.00000  124.00000
   76    69    70    35.00000  120.00000
   76    87    88    35.00000  109.50000
   76    87    89    35.00000  109.50000
   76    87    92    70.00000  112.02700
   76   102    99    70.00000  112.02700
   76   102   103    70.00000  112.02700
   87    92    93    37.50000  110.70000
   87    92    94    58.35000  112.70000
   87    92    97    50.00000  109.50000
   89    87    88    33.00000  107.80000
   92    87    88    37.50000  110.70000
   92    87    89    37.50000  110.70000
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94    99    58.35000  112.70000
   92    97    98    55.00000  108.50000
   94    92    93    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    58.35000  112.70000
   96    94    95    33.00000  107.80000
   99    94    95    37.50000  110.70000
   99    94    96    37.50000  110.70000
   99   102   103    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    48    49    37.50000  110.70000
  102    48    56    58.35000  112.70000
  102    76    87    65.00000  117.92700
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   103   104    37.50000  110.70000
  102   103   105    37.50000  110.70000
  102   103   106    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   97    92    93    35.00000  109.50000
   97    92    94    50.00000  109.50000
   63    37    38    37.50000  110.70000
   63    37    44    63.00000  111.10000
   63    56    57    37.50000  110.70000
   63    56    60    58.35000  112.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    77    58.35000  112.70000
   71    63    64    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    39    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    39    46    58.35000  112.70000
   77    39    68    50.00000  109.50000
   79    77    78    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    77    78    37.50000  110.70000
   39    77    79    37.50000  110.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   39    46    52    58.35000  112.70000
   39    68    58    60.00000  109.50000
   46    50    51    37.50000  110.70000
   46    50    58    58.35000  112.70000
   46    50    90    80.00000  111.29100
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   50    46    47    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    65    58.35000  112.70000
   50    58    68    50.00000  109.50000
   50    90    80    75.00000  112.02600
   50    90    91    50.00000  109.23200
   58    50    51    37.50000  110.70000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    74    58.35000  112.70000
   65    58    59    37.50000  110.70000
   65    74    75    37.50000  110.70000
   65    74    80    58.35000  112.70000
   65    74    83    58.35000  112.70000
   67    65    66    33.00000  107.80000
   74    65    66    37.50000  110.70000
   74    65    67    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    90    80.00000  111.29100
   74    83    84    37.50000  110.70000
   74    83    85    37.50000  110.70000
   74    83    86    37.50000  110.70000
   80    74    75    37.50000  110.70000
   80    90    91    50.00000  109.23200
   82    80    81    33.00000  107.80000
   90    50    51    50.00000  110.59500
   90    50    58    80.00000  111.29100
   90    80    81    50.00000  110.59500
   90    80    82    50.00000  110.59500
   83    74    75    37.50000  110.70000
   83    74    80    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   68    39    46    50.00000  109.50000
   68    58    59    35.00000  109.50000
   68    58    65    50.00000  109.50000
   52    46    47    37.50000  110.70000
   52    46    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    39    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
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   39    33    37    44   0.29450  1.0 3.0
   39    33   -37    63   0.56750  1.0 1.0
   39    33   -37    63  -0.07550 -1.0 2.0
   39    33   -37    63   0.20000  1.0 3.0
   39    33    40    41   0.15000  1.0 3.0
   39    33    40    42   0.15000  1.0 3.0
   39    33    40    43   0.15000  1.0 3.0
   39    46    50    51   0.15000  1.0 3.0
   39    46   -50    58   0.56750  1.0 1.0
   39    46   -50    58  -0.07550 -1.0 2.0
   39    46   -50    58   0.20000  1.0 3.0
   39    46    50    90   1.53400  1.0 1.0
   39    46    50    90  -0.09950 -1.0 2.0
   39    46    50    90   0.05700  1.0 3.0
   39    46    52    53   0.15000  1.0 3.0
   39    46    52    54   0.15000  1.0 3.0
   39    46    52    55   0.15000  1.0 3.0
   46    39   -68    58   0.06250  1.0 1.0
   46    39   -68    58  -0.01100 -1.0 2.0
   46    39   -68    58   0.28050  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    65   0.56750  1.0 1.0
   46    50    58    65  -0.07550 -1.0 2.0
   46    50    58    65   0.20000  1.0 3.0
   46    50   -58    68   0.62750  1.0 1.0
   46    50   -58    68  -0.30950 -1.0 2.0
   46    50   -58    68   0.27300  1.0 3.0
   46    50    90    80  -0.35450  1.0 1.0
   46    50    90    80   0.44050 -1.0 2.0
   46    50    90    80   0.77100  1.0 3.0
   46    50    90    91   0.03200  1.0 1.0
   46    50    90    91   0.33800 -1.0 2.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    58   0.15000  1.0 3.0
   47    46    50    90   0.15000  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    55   0.15000  1.0 3.0
   50    46    52    53   0.15000  1.0 3.0
   50    46    52    54   0.15000  1.0 3.0
   50    46    52    55   0.15000  1.0 3.0
   50    58    65    66   0.15000  1.0 3.0
   50    58    65    67   0.15000  1.0 3.0
   50    58    65    74   0.56750  1.0 1.0
   50    58    65    74  -0.07550 -1.0 2.0
   50    58    65    74   0.20000  1.0 3.0
   50    58   -68    39   0.06250  1.0 1.0
   50    58   -68    39  -0.01100 -1.0 2.0
   50    58   -68    39   0.28050  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    65   0.15000  1.0 3.0
   51    50    58    68   0.23400  1.0 3.0
   51    50    90    80   0.28000  1.0 3.0
   51    50    90    91   0.20000  1.0 3.0
   58    50    90    80  -0.35450  1.0 1.0
   58    50    90    80   0.44050 -1.0 2.0
   58    50    90    80   0.77100  1.0 3.0
   58    50    90    91   0.03200  1.0 1.0
   58    50    90    91   0.33800 -1.0 2.0
   58    65    74    75   0.15000  1.0 3.0
   58    65   -74    80   0.56750  1.0 1.0
   58    65   -74    80  -0.07550 -1.0 2.0
   58    65   -74    80   0.20000  1.0 3.0
   58    65    74    83   0.56750  1.0 1.0
   58    65    74    83  -0.07550 -1.0 2.0
   58    65    74    83   0.20000  1.0 3.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    74   0.15000  1.0 3.0
   59    58    68    39   0.37050  1.0 3.0
   65    58    68    39   0.06250  1.0 1.0
   65    58    68    39  -0.01100 -1.0 2.0
   65    58    68    39   0.28050  1.0 3.0
   65    74    80    81   0.15000  1.0 3.0
   65    74    80    82   0.15000  1.0 3.0
   65    74    80    90   1.53400  1.0 1.0
   65    74    80    90  -0.09950 -1.0 2.0
   65    74    80    90   0.05700  1.0 3.0
   65    74    83    84   0.15000  1.0 3.0
   65    74    83    85   0.15000  1.0 3.0
   65    74    83    86   0.15000  1.0 3.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    80   0.15000  1.0 3.0
   66    65    74    83   0.15000  1.0 3.0
   67    65    74    75   0.15000  1.0 3.0
   67    65    74    80   0.15000  1.0 3.0
   67    65    74    83   0.15000  1.0 3.0
   74    80   -90    50  -0.35450  1.0 1.0
   74    80   -90    50   0.44050 -1.0 2.0
   74    80   -90    50   0.77100  1.0 3.0
   74    80    90    91   0.03200  1.0 1.0
   74    80    90    91   0.33800 -1.0 2.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    90   0.15000  1.0 3.0
   75    74    83    84   0.15000  1.0 3.0
   75    74    83    85   0.15000  1.0 3.0
   75    74    83    86   0.15000  1.0 3.0
   80    74    83    84   0.15000  1.0 3.0
   80    74    83    85   0.15000  1.0 3.0
   80    74    83    86   0.15000  1.0 3.0
   81    80    90    50   0.28000  1.0 3.0
   81    80    90    91   0.20000  1.0 3.0
   82    80    90    50   0.28000  1.0 3.0
   82    80    90    91   0.20000  1.0 3.0
   90    50    58    59   0.15000  1.0 3.0
   90    50   -58    65   1.53400  1.0 1.0
   90    50   -58    65  -0.09950 -1.0 2.0
   90    50   -58    65   0.05700  1.0 3.0
   90    50    58    68   2.34900  1.0 1.0
   90    50    58    68  -0.83700 -1.0 2.0
   83    74    80    81   0.15000  1.0 3.0
   83    74    80    82   0.15000  1.0 3.0
   83    74    80    90   1.53400  1.0 1.0
   83    74    80    90  -0.09950 -1.0 2.0
   83    74    80    90   0.05700  1.0 3.0
   68    39    46    47   0.23400  1.0 3.0
   68    39   -46    50   0.62750  1.0 1.0
   68    39   -46    50  -0.30950 -1.0 2.0
   68    39   -46    50   0.27300  1.0 3.0
   68    39    46    52   0.62750  1.0 1.0
   68    39    46    52  -0.30950 -1.0 2.0
   68    39    46    52   0.27300  1.0 3.0
   68    58    65    66   0.23400  1.0 3.0
   68    58    65    67   0.23400  1.0 3.0
   68    58    65    74   0.62750  1.0 1.0
   68    58    65    74  -0.30950 -1.0 2.0
   68    58    65    74   0.27300  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   52    46    50    58   0.56750  1.0 1.0
   52    46    50    58  -0.07550 -1.0 2.0
   52    46    50    58   0.20000  1.0 3.0
   52    46    50    90   1.53400  1.0 1.0
   52    46    50    90  -0.09950 -1.0 2.0
   52    46    50    90   0.05700  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    37    63   0.56750  1.0 1.0
   40    33    37    63  -0.07550 -1.0 2.0
   40    33    37    63   0.20000  1.0 3.0
   40    33    39    77   0.56750  1.0 1.0
   40    33    39    77  -0.07550 -1.0 2.0
   40    33    39    77   0.20000  1.0 3.0
   40    33    39    46   0.56750  1.0 1.0
   40    33    39    46  -0.07550 -1.0 2.0
   40    33    39    46   0.20000  1.0 3.0
   40    33    39    68   0.62750  1.0 1.0
   40    33    39    68  -0.30950 -1.0 2.0
   40    33    39    68   0.27300  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
   37    48    44    45  10.50000 -1.0 2.0
   60    70    69    76   1.10000 -1.0 2.0
   87   102    76    69   1.10000 -1.0 2.0
END
