* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    202    335     614
    1     0 S   NP   _N1_     1    28.78486    95.64177   -21.05049
    2     1 S   H    _HN1     2     1.02947    81.64129     9.25763
    3     1 S   H    _H1_     3     1.02840    37.42081   142.20950
    4     1 S   H    _H2_     4     1.02796    91.00324   -99.08238
    5     1 S   CT   _CA1     5     1.50056   147.23904   124.51473
    6     5 S   HC   _HA1     6     1.09565   105.29021    70.69761
    7     5 S   CO3  _C1_     7     1.53718   112.45298   -49.77580
    8     7 S   O2Z  _O11     8     1.26447   115.10514   -45.04358
    9     7 S   O2Z  _O12     9     1.26215   115.00142   134.46511
   10     5 S   CT   _CB1    10     1.53070   107.49625  -171.18878
   11    10 S   HC   HB11    11     1.09825   109.52742   -49.56247
   12    10 S   HC   HB12    12     1.09823   110.37376    67.07277
   13    10 S   CT   _CG1    13     1.52997   112.55349  -170.55494
   14    13 S   HC   HG11    14     1.09525   110.51442   -61.80179
   15    13 S   HC   HG12    15     1.09651   109.92764    57.37914
   16    13 S   C    _CD1    16     1.51762   112.19573   177.88289
   17    16 S   O    _OE1    17     1.22735   123.22676     1.55733
   18    16 S   N    _N2_    18     1.38631   111.72103  -178.62556
   19    18 S   H    _HN2    19     1.01592   119.07848     1.75469
   20    18 S   CT1  _CA2    20     1.46225   123.25529   179.06812
   21    20 S   HC   _HA2    21     1.09735   109.32386    -5.13931
   22    20 S   C    _C2_    22     1.53431   108.48779  -120.63077
   23    22 S   O    _O2_    23     1.23032   122.35266  -148.35135
   24    20 S   CT   _CB2    32     1.53350   111.69470   116.78967
   25    24 S   HC   HB21    33     1.09537   109.90236    57.51641
   26    24 S   HC   HB22    34     1.09443   110.12150   176.42461
   27    22 S   N    _N3_    24     1.38356   113.54245    39.10320
   28    27 S   H    _HN3    25     1.01621   119.52173    -3.47868
   29    24 S   S    _SG2    35     1.82804   111.47254   -63.26480
   30    27 S   CT   _CA3    26     1.45281   123.14942   177.04580
   31    30 S   HC   HA31    27     1.09551   107.52183   -64.13042
   32    30 S   HC   HA32    28     1.09558   107.96033    52.28818
   33    29 S   CT   _C17    36     1.83765   100.01050   178.22139
   34    33 S   HC   _H3_    37     1.09722   107.08882   -18.66080
   35    30 S   CO3  _C3_    29     1.52938   114.11557   174.28002
   36    35 S   O2Z  _O31    30     1.26371   116.06496    -0.58851
   37    35 S   O2Z  _O32    31     1.26430   114.41137   179.46808
   38    33 S   CO4  _C10    38     1.53105   107.36352    92.01344
   39    38 S   O    _O29    39     1.23171   120.99606   -62.33479
   40    38 S   OS   _O34    40     1.35440   119.43257   116.79149
   41    40 S   CT   _C16    41     1.46102   126.71781     4.51058
   42    41 S   HC   _H50    42     1.09771   105.32623    92.54474
   43    41 S   C5BC _C7_    43     1.50667   109.53114  -155.59186
   44    41 S   CT   _C23    51     1.56031   110.33620   -27.00515
   45    43 S   C5BC _C4_    44     1.42582   128.07946    32.38164
   46    45 S   HA   _H37    45     1.08096   127.40024     0.95368
   47    44 S   CT   _C14    52     1.53779   112.58867   172.79143
   48    47 S   HC   _H46    53     1.09714   111.22919    61.38636
   49    47 S   HC   _H47    54     1.09634   109.80021   -53.91142
   50    44 S   CT   _C26   100     1.56024   106.90001   -69.58478
   51    50 S   HC   _H58   101     1.09431   112.55214    42.76623
   52    50 S   HC   _H59   102     1.09734   110.55707   -75.40218
   53    50 S   HC   _H60   103     1.08705   115.05290   165.50039
   54    45 S   C5A  _C5_    46     1.37442   106.66605  -179.15930
   55    54 S   HA   _H38    47     1.08025   133.82080  -179.76593
   56    47 S   CT   _C13    55     1.54287   113.38418  -177.03727
   57    56 S   HC   _H44    56     1.09419   106.24900   149.37364
   58    56 S   HC   _H45    57     1.09030   106.26837   -97.37453
   59    54 S   OA   _O30    48     1.35649   110.47656     0.55355
   60    56 S   CT   _C18    58     1.56022   116.55002    25.24219
   61    60 S   HC   _H52    59     1.09082   107.00617   -75.88946
   62    43 S   C5A  _C6_    49     1.38216   126.94104  -145.54095
   63    62 S   HA   _H39    50     1.08074   133.40615    -0.95059
   64    60 S   CT   _C21    60     1.56814   107.76109    36.22738
   65    64 S   CO4  _C8_    61     1.52447   110.74222   176.75744
   66    65 S   O    _O27    62     1.23248   121.93845  -179.02944
   67    33 S   CT   _C24    93     1.55529   117.24454  -139.29053
   68    64 S   CT   _C25    96     1.56262   109.22422    63.29345
   69    68 S   HC   _H55    97     1.09201   113.26192   -70.16230
   70    68 S   HC   _H56    98     1.09663   112.26903   168.23980
   71    68 S   HC   _H57    99     1.08471   112.04217    50.26107
   72    65 S   CT   _C11    63     1.49881   117.48788     1.45239
   73    72 S   HC   _H40    64     1.09451   108.51420    65.33644
   74    72 S   HC   _H41    65     1.09394   109.35727   178.98799
   75    67 S   OH   _O36    94     1.46631   101.63263   167.72804
   76    75 S   HO   _H68    95     0.97381   108.35344   -59.51353
   77    72 S   CT   _C19    66     1.53564   111.71153   -55.70187
   78    77 S   HC   _H53    67     1.09932    99.60305   174.85258
   79    60 S   CT   _C22    68     1.63449   116.63018   171.34134
   80    77 S   CT   _C29    82     1.58182   115.16394   -77.39990
   81    79 S   CT   _C15    69     1.54209   112.54491   -32.09033
   82    81 S   HC   _H48    70     1.08840   112.73733  -170.93633
   83    81 S   HC   _H49    71     1.09060   111.42378   -51.17678
   84    80 S   CT   _C27    83     1.54034   114.01666   -21.23299
   85    84 S   HC   _H61    84     1.09725   110.77860  -176.88486
   86    84 S   HC   _H62    85     1.09413   111.62396    66.34468
   87    84 S   HC   _H63    86     1.09479   111.89803   -56.75300
   88    80 S   CT   _C28    87     1.54397   110.85950  -140.78478
   89    88 S   HC   _H64    88     1.09677   110.81831  -177.21224
   90    88 S   HC   _H65    89     1.08994   113.03445   -58.91860
   91    88 S   HC   _H66    90     1.09547   111.31448    62.60526
   92    80 S   OH   _O37    91     1.42078   111.13828    98.95643
   93    92 S   HO   _H69    92     0.97255   108.55718   177.18763
   94    81 S   OS   _O33    72     1.45005   115.63187    68.80831
   95    94 S   CO4  _C9_    73     1.34932   124.55259    36.16143
   96    95 S   O    _O28    74     1.22949   121.05252   165.78341
   97    95 S   CT   _C12    75     1.50255   117.84285   -19.43942
   98    97 S   HC   _H42    76     1.09763   106.66019   143.33186
   99    97 S   HC   _H43    77     1.09270   108.55151  -101.56751
  100    79 S   CT   _C20    78     1.57619   109.66924    82.38627
  101   100 S   HC   _H54    79     1.09743   109.63598    58.84257
  102   100 S   OH   _O35    80     1.43679   109.48074   175.66483
  103   102 S   HO   _H67    81     0.97613   107.56615  -154.48205
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1   9   3   9  20   7  11  19   6   4  15   7
   6   7   3   2   1   4   2  12   5   4   2  23   8   1   1  16
  14   6   8   6   2   1   1  11   5   4   1   1  21   7  16  12
   9   4   3   9   4   3   2   5   3   2   1   1   1   6   7   4
   6   4   3   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    67    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    64    67    75  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    60    64    65    67    75    76    68    50  
   38    39    40    44    64    67    75  
   36    37  
   37  
    0  
   39    40    41    42    43    44    64    67    75  
   40    41    67  
   41    42    43    45    62    44    47    67    50  
   42    43    45    46    54    59    62    63    44    47    48    49    56    64    67    75    50    51    52    53  
   43    45    62    44    47    67    50  
   45    46    54    55    59    62    63    44    47    67    50  
   47    48    49    56    57    58    60    64    65    67    75    76    68    50    51    52    53    45    62  
   46    54    55    59    62    63  
   54    55    59    62  
   48    49    56    57    58    60    61    64    79    67    75    50    51    52    53  
   49    56    57    58    60    67    50  
   56    57    58    60    67    50  
   51    52    53    56    64    67    75  
   52    53    67  
   53    67  
   67  
   55    59    62    63  
   59    62  
   57    58    60    61    64    65    77    79    81   100    67    68  
   58    60    61    64    79  
   60    61    64    79  
   62    63  
   61    64    65    66    72    77    78    79    81    82    83    94    97   100   101   102    80    67    75    68    69    70    71  
   64    65    77    79    81   100    67    68  
   63  
    0  
   65    66    72    73    74    77    79    81   100    67    75    76    68    69    70    71  
   66    72    73    74    77    78    79    80    67    75    68    69    70    71  
   72    73    74    77    67    68  
   75    76    68    69    70    71    72    79  
   69    70    71    72    75    79  
   70    71  
   71  
    0  
   73    74    77    78    79    81   100    80    84    88    92  
   74    77    78    79    80  
   77    78    79    80  
   76  
    0  
   78    79    81    82    83    94    97   100   101   102    80    84    85    86    87    88    89    90    91    92    93  
   79    81   100    80    84    88    92  
   81    82    83    94    95    97    98    99   100   101   102   103    80    84    88    92  
   84    85    86    87    88    89    90    91    92    93    81   100  
   82    83    94    95    96    97   100   101   102  
   83    94    95   100  
   94    95   100  
   85    86    87    88    89    90    91    92    93  
   86    87    88    92  
   87    88    92  
   88    92  
   89    90    91    92    93  
   90    91    92  
   91    92  
   92  
   93  
    0  
   95    96    97    98    99   100  
   96    97    98    99   100   101   102  
   97    98    99   100  
   98    99   100   101   102   103  
   99   100   101   102  
  100   101   102  
  101   102   103  
  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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   97   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    67   268.000  1.529
   38    39   570.000  1.229
   38    40   214.000  1.327
   40    41   320.000  1.410
   41    42   340.000  1.090
   41    43   285.000  1.502
   41    44   268.000  1.529
   43    45   469.000  1.424
   43    62   546.000  1.367
   45    46   367.000  1.080
   45    54   546.000  1.367
   54    55   367.000  1.080
   54    59   340.000  1.360
   59    62   340.000  1.360
   62    63   367.000  1.080
   44    47   268.000  1.529
   44    67   268.000  1.529
   44    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    79   268.000  1.529
   64    65   317.000  1.522
   64    67   268.000  1.529
   64    68   268.000  1.529
   65    66   570.000  1.229
   65    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    80   268.000  1.529
   79    81   268.000  1.529
   79   100   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    94   320.000  1.410
   94    95   214.000  1.327
   95    96   570.000  1.229
   95    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   268.000  1.529
  100   101   340.000  1.090
  100   102   320.000  1.410
  102   103   553.000  0.945
   80    84   268.000  1.529
   80    88   268.000  1.529
   80    92   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   553.000  0.945
   67    75   320.000  1.410
   75    76   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  110.18000
   29    33    67    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    81.00000  111.40000
   33    67    44    58.35000  112.70000
   33    67    64    58.35000  112.70000
   33    67    75    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    83.00000  116.90000
   40    38    39    83.00000  123.40000
   40    41    42    35.00000  109.50000
   40    41    43    85.00000  111.85700
   40    41    44    50.00000  109.50000
   41    43    45    60.00000  130.00000
   41    43    62    60.00000  130.00000
   41    44    47    58.35000  112.70000
   41    44    67    58.35000  112.70000
   41    44    50    58.35000  112.70000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  127.50000
   43    45    54    70.00000  107.30000
   43    62    59    70.00000  110.60000
   43    62    63    35.00000  132.10000
   45    54    55    35.00000  132.10000
   45    54    59    70.00000  110.60000
   54    45    46    35.00000  125.70000
   54    59    62    70.00000  106.50000
   59    54    55    35.00000  113.40000
   59    62    63    35.00000  113.40000
   62    43    45    70.00000  107.30000
   44    41    42    37.50000  110.70000
   44    41    43    70.00000  112.17500
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    56    58.35000  112.70000
   44    67    64    58.35000  112.70000
   44    67    75    50.00000  109.50000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    53    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    60    58.35000  112.70000
   49    47    48    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    58.35000  112.70000
   56    60    79    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    65    63.00000  111.10000
   60    64    67    58.35000  112.70000
   60    64    68    58.35000  112.70000
   60    79    77    58.35000  112.70000
   60    79    81    58.35000  112.70000
   60    79   100    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    65    66    80.00000  120.40000
   64    65    72    70.00000  116.00000
   64    67    75    50.00000  109.50000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    77    63.00000  111.10000
   72    65    66    80.00000  120.40000
   72    77    78    37.50000  110.70000
   72    77    79    58.35000  112.70000
   72    77    80    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    79    81    58.35000  112.70000
   77    79   100    58.35000  112.70000
   77    80    84    58.35000  112.70000
   77    80    88    58.35000  112.70000
   77    80    92    50.00000  109.50000
   79    60    61    37.50000  110.70000
   79    60    64    58.35000  112.70000
   79    77    78    37.50000  110.70000
   79    81    82    37.50000  110.70000
   79    81    83    37.50000  110.70000
   79    81    94    50.00000  109.50000
   79   100    97    58.35000  112.70000
   79   100   101    37.50000  110.70000
   79   100   102    50.00000  109.50000
   81    94    95    83.00000  116.90000
   83    81    82    33.00000  107.80000
   94    81    82    35.00000  109.50000
   94    81    83    35.00000  109.50000
   94    95    96    83.00000  123.40000
   94    95    97    81.00000  111.40000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    63.00000  111.10000
   97    95    96    80.00000  120.40000
   97   100   101    37.50000  110.70000
   97   100   102    50.00000  109.50000
   99    97    98    33.00000  107.80000
  100    79    81    58.35000  112.70000
  100    97    98    37.50000  110.70000
  100    97    99    37.50000  110.70000
  100   102   103    55.00000  108.50000
  102   100   101    35.00000  109.50000
   80    77    78    37.50000  110.70000
   80    77    79    58.35000  112.70000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    87    37.50000  110.70000
   80    88    89    37.50000  110.70000
   80    88    90    37.50000  110.70000
   80    88    91    37.50000  110.70000
   80    92    93    55.00000  108.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    80    84    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    80    84    50.00000  109.50000
   92    80    88    50.00000  109.50000
   67    33    34    37.50000  110.70000
   67    33    38    63.00000  111.10000
   67    44    47    58.35000  112.70000
   67    64    65    63.00000  111.10000
   67    75    76    55.00000  108.50000
   68    64    65    63.00000  111.10000
   68    64    67    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   50    44    47    58.35000  112.70000
   50    44    67    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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
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   99    97   100   101   0.15000  1.0 3.0
   99    97   100   102   0.23400  1.0 3.0
  100    79    81    82   0.15000  1.0 3.0
  100    79    81    83   0.15000  1.0 3.0
  100    79   -81    94   0.62750  1.0 1.0
  100    79   -81    94  -0.30950 -1.0 2.0
  100    79   -81    94   0.27300  1.0 3.0
  101   100   102   103   0.19450  1.0 3.0
   80    77    79    60   0.56750  1.0 1.0
   80    77    79    60  -0.07550 -1.0 2.0
   80    77    79    60   0.20000  1.0 3.0
   80    77    79    81   0.56750  1.0 1.0
   80    77    79    81  -0.07550 -1.0 2.0
   80    77    79    81   0.20000  1.0 3.0
   80    77    79   100   0.56750  1.0 1.0
   80    77    79   100  -0.07550 -1.0 2.0
   80    77    79   100   0.20000  1.0 3.0
   84    80    88    89   0.15000  1.0 3.0
   84    80    88    90   0.15000  1.0 3.0
   84    80    88    91   0.15000  1.0 3.0
   84    80    92    93  -0.11600  1.0 1.0
   84    80    92    93  -0.09450 -1.0 2.0
   84    80    92    93   0.21250  1.0 3.0
   88    80    84    85   0.15000  1.0 3.0
   88    80    84    86   0.15000  1.0 3.0
   88    80    84    87   0.15000  1.0 3.0
   88    80    92    93  -0.11600  1.0 1.0
   88    80    92    93  -0.09450 -1.0 2.0
   88    80    92    93   0.21250  1.0 3.0
   92    80    84    85   0.23400  1.0 3.0
   92    80    84    86   0.23400  1.0 3.0
   92    80    84    87   0.23400  1.0 3.0
   92    80    88    89   0.23400  1.0 3.0
   92    80    88    90   0.23400  1.0 3.0
   92    80    88    91   0.23400  1.0 3.0
   67    33    38    39   0.30150 -1.0 2.0
   67    33   -38    40   0.36750  1.0 3.0
   67    44    47    48   0.15000  1.0 3.0
   67    44    47    49   0.15000  1.0 3.0
   67    44   -47    56   0.56750  1.0 1.0
   67    44   -47    56  -0.07550 -1.0 2.0
   67    44   -47    56   0.20000  1.0 3.0
   67    44    50    51   0.15000  1.0 3.0
   67    44    50    52   0.15000  1.0 3.0
   67    44    50    53   0.15000  1.0 3.0
   67    64    65    66   0.30150 -1.0 2.0
   67    64    65    72   0.60050  1.0 1.0
   67    64    65    72   0.05600 -1.0 2.0
   67    64    65    72   0.26150  1.0 3.0
   67    64    68    69   0.15000  1.0 3.0
   67    64    68    70   0.15000  1.0 3.0
   67    64    68    71   0.15000  1.0 3.0
   68    64    65    66   0.30150 -1.0 2.0
   68    64    65    72   0.60050  1.0 1.0
   68    64    65    72   0.05600 -1.0 2.0
   68    64    65    72   0.26150  1.0 3.0
   68    64    67    33   0.56750  1.0 1.0
   68    64    67    33  -0.07550 -1.0 2.0
   68    64    67    33   0.20000  1.0 3.0
   68    64    67    44   0.56750  1.0 1.0
   68    64    67    44  -0.07550 -1.0 2.0
   68    64    67    44   0.20000  1.0 3.0
   68    64    67    75   0.86500  1.0 1.0
   68    64    67    75  -0.17500 -1.0 2.0
   68    64    67    75   0.20800  1.0 3.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44    47    56   0.56750  1.0 1.0
   50    44    47    56  -0.07550 -1.0 2.0
   50    44    47    56   0.20000  1.0 3.0
   50    44    67    33   0.56750  1.0 1.0
   50    44    67    33  -0.07550 -1.0 2.0
   50    44    67    33   0.20000  1.0 3.0
   50    44    67    64   0.56750  1.0 1.0
   50    44    67    64  -0.07550 -1.0 2.0
   50    44    67    64   0.20000  1.0 3.0
   50    44    67    75   0.86500  1.0 1.0
   50    44    67    75  -0.17500 -1.0 2.0
   50    44    67    75   0.20800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   45    62    43    41   4.00000 -1.0 2.0
   54    46    45    43   1.10000 -1.0 2.0
   59    55    54    45   1.10000 -1.0 2.0
   59    63    62    43   1.10000 -1.0 2.0
   64    72    65    66  10.50000 -1.0 2.0
   94    97    95    96  10.50000 -1.0 2.0
END
