* LIGAND DATABASE FILE (OPLS2005)
*
001     104   108    208    342     632
    1     0 S   NP   _N1_     1    28.76693    95.19191   -24.01520
    2     1 S   H    _HN1     2     1.02950    79.02489    18.62436
    3     1 S   H    _H1_     3     1.02829    30.47040   175.51415
    4     1 S   H    _H2_     4     1.02785   106.69076   -87.43935
    5     1 S   CT   _CA1     5     1.50107   133.61809   126.43396
    6     5 S   HC   _HA1     6     1.09573   105.21065    83.43907
    7     5 S   CO3  _C1_     7     1.53794   112.43254   -36.82034
    8     7 S   O2Z  _O11     8     1.26372   115.01009   -43.33437
    9     7 S   O2Z  _O12     9     1.26239   114.94319   135.81262
   10     5 S   CT   _CB1    10     1.53080   107.42353  -158.57840
   11    10 S   HC   HB11    11     1.09831   109.39905   -49.80625
   12    10 S   HC   HB12    12     1.09814   110.43781    66.80498
   13    10 S   CT   _CG1    13     1.52984   112.59176  -170.79090
   14    13 S   HC   HG11    14     1.09586   110.60299   -64.83234
   15    13 S   HC   HG12    15     1.09667   109.82349    54.39986
   16    13 S   C    _CD1    16     1.51794   112.25238   174.85951
   17    16 S   O    _OE1    17     1.22727   123.29617     5.25315
   18    16 S   N    _N2_    18     1.38644   111.64195  -174.86550
   19    18 S   H    _HN2    19     1.01580   118.94325     1.93654
   20    18 S   CT1  _CA2    20     1.46218   123.40062   178.13324
   21    20 S   HC   _HA2    21     1.09739   109.40777     1.32160
   22    20 S   C    _C2_    22     1.53524   108.49904  -114.18041
   23    22 S   O    _O2_    23     1.23050   122.31623  -147.24158
   24    20 S   CT   _CB2    32     1.53491   111.52253   123.38718
   25    24 S   HC   HB21    33     1.09356   109.50706    57.02760
   26    24 S   HC   HB22    34     1.09442   109.55451   175.90366
   27    22 S   N    _N3_    24     1.38341   113.65127    40.15725
   28    27 S   H    _HN3    25     1.01593   119.57695    -3.31204
   29    24 S   S    _SG2    35     1.82877   111.02677   -64.93954
   30    27 S   CT   _CA3    26     1.45284   123.18398   177.12519
   31    30 S   HC   HA31    27     1.09550   107.50649   -64.58611
   32    30 S   HC   HA32    28     1.09557   107.98514    51.84556
   33    29 S   CT   _C24    36     1.86051   103.09532   167.48883
   34    30 S   CO3  _C3_    29     1.52952   114.09674   173.84375
   35    34 S   O2Z  _O31    30     1.26373   116.07142    -0.76438
   36    34 S   O2Z  _O32    31     1.26429   114.41078   179.29947
   37    33 S   CT   _C23    37     1.53848   113.19778    47.33230
   38    37 S   HC   _H24    38     1.09389   113.01638   -50.08963
   39    37 S   HC   _H25    39     1.09870   110.19523  -167.75323
   40    33 S   CT   _C25   101     1.54930   106.41397   -70.04599
   41    40 S   HC   _H26   102     1.09500   112.93827   -49.32346
   42    40 S   HC   _H27   103     1.09672   110.73923  -169.62910
   43    40 S   HC   _H28   104     1.09540   112.01369    71.99676
   44    37 S   CO4  _C22    40     1.50440   112.12917    74.25989
   45    44 S   O    _O36    41     1.22992   121.40997  -125.97355
   46    44 S   CT   _C21    42     1.52224   115.64304    57.99057
   47    46 S   HC   _H11    43     1.09659   107.25112    63.39574
   48    46 S   CT   _C20    44     1.56157   111.18222   -57.63920
   49    46 S   OH   _O37    99     1.41907   108.13176   179.24411
   50    49 S   HO   _H29   100     0.97290   107.63231   -55.67300
   51    33 S   CT   _C19    45     1.58325   111.54092   170.42644
   52    51 S   HC   _H10    46     1.10233   102.98735   170.00822
   53    48 S   CT   _C26    95     1.54965   107.84917   -71.17089
   54    53 S   HC   _H30    96     1.09016   113.27551   169.90638
   55    53 S   HC   _H31    97     1.09294   111.70798    49.17301
   56    53 S   HC   _H32    98     1.08940   113.29572   -67.59324
   57    51 S   CT   _C18    47     1.54745   114.36538    55.69196
   58    57 S   HC   _H22    48     1.09331   111.88805   -74.44629
   59    57 S   HC   _H23    49     1.09482   109.84423    43.46256
   60    57 S   CT   _C17    50     1.52683   111.35773   162.31024
   61    60 S   HC   _H9_    51     1.09750   107.93967   178.22911
   62    60 S   CT   _C15    52     1.52769   114.02576    54.95472
   63    60 S   OS   _O38    64     1.46200   105.88804   -69.37850
   64    62 S   CT   _C16    53     1.53691   115.39163    83.92558
   65    64 S   HC   _H20    54     1.08832   115.64161   -92.27102
   66    64 S   HC   _H21    55     1.09615   111.98499    31.28199
   67    48 S   CT   _C14    85     1.61112   109.32502   165.24609
   68    67 S   HC   _H8_    86     1.09876   102.62271   -55.87366
   69    64 S   OS   _O35    56     1.45160   106.18519   147.51838
   70    69 S   CT   _C11    57     1.45495   108.08609    -7.96964
   71    62 S   CT   _C10    58     1.53133   106.26429  -169.46262
   72    71 S   HC   _H5_    59     1.10493   108.32403   -56.56535
   73    70 S   CT   _C12    81     1.54434   107.72939    95.99391
   74    73 S   HC   _H6_    82     1.09806   108.16192    65.17423
   75    70 S   CT   _C28    91     1.52627   107.96869  -143.47744
   76    75 S   HC   _H35    92     1.09607   110.53089   -57.62776
   77    75 S   HC   _H36    93     1.09280   112.40565  -178.56851
   78    75 S   HC   _H37    94     1.09582   110.91134    59.77942
   79    71 S   CT   _C9_    60     1.51637   113.03845    60.56306
   80    79 S   HC   _H4_    61     1.09198   112.68434    63.08946
   81    73 S   CT   _C13    83     1.54451   112.54122   -54.74292
   82    81 S   HC   _H7_    84     1.09555   108.67707  -158.98210
   83    73 S   OH   _O41    89     1.42402   110.29894  -178.34223
   84    83 S   HO   _H34    90     0.97259   107.77184  -174.14516
   85    79 S   CO4  _C27    62     1.51932   109.57615   -55.81239
   86    85 S   O    _O39    63     1.22755   122.93830  -145.78388
   87    79 S   OS   _O34    65     1.43627   108.62433  -174.68577
   88    81 S   OH   _O40    87     1.42222   107.38267    85.44673
   89    88 S   HO   _H33    88     0.97221   107.95416    66.00339
   90    87 S   CO4  _C8_    66     1.36482   117.48663  -150.89758
   91    90 S   O    _O33    67     1.22413   126.03443    -1.59839
   92    90 S   CT   _C6_    68     1.51825   109.68444   177.67115
   93    92 S   HC   _H3_    69     1.09743   109.14605     6.92577
   94    92 S   CT   _C7_    70     1.52664   108.41811  -110.85875
   95    94 S   HC   _H17    71     1.09575   111.39900   -62.92661
   96    94 S   HC   _H18    72     1.09533   110.88478    56.68359
   97    94 S   HC   _H19    73     1.09488   110.85071   176.64398
   98    92 S   CT   _C5_    74     1.53419   110.98184   126.89620
   99    98 S   HC   _H15    75     1.09685   110.55403    55.01176
  100    98 S   HC   _H16    76     1.09685   109.37693   172.45397
  101    98 S   CT   _C4_    77     1.52295   112.60744   -67.07146
  102   101 S   HC   _H12    78     1.09461   111.02531   -57.22089
  103   101 S   HC   _H13    79     1.09468   110.08363  -176.78016
  104   101 S   HC   _H14    80     1.09384   111.42501    63.72026
  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
  19   2   1   1  15   6   5   8   3   2   1   9   4  15   6  21
   4   1  15   6   8   3   2   1  10   5   4  16   6  19   8  12
   5   4  13   5  12  17  15   6  12   6   6   2   1   1   7   4
   5   3   2   1   3   1   6   1   1  11   4  12   8   7   3   2
   1   6   5   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    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    48    51    52    57    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    48    51    52    57    58    59    60    67    53    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    51    52    57    49    40    41    42    43  
   39    44    45    46    51    40  
   44    45    46    51    40  
   41    42    43    44    48    51    52    57  
   42    43    51  
   43    51  
   51  
   45    46    47    48    51    67    53    49    50  
   46    47    48    49  
   47    48    51    52    57    62    81    67    68    53    54    55    56    49    50  
   48    51    67    53    49    50  
   51    52    57    58    59    60    62    64    71    73    81    82    67    68    88    53    54    55    56    49    50  
   50    51    53    67  
    0  
   52    57    58    59    60    61    62    63    81    67    68    53    54    55    56  
   57    58    59    60    67    53  
   54    55    56    57    62    67    68    81  
   55    56    67  
   56    67  
   67  
   58    59    60    61    62    64    71    85    63    67  
   59    60    61    62    63  
   60    61    62    63  
   61    62    64    65    66    69    70    71    72    79    85    86    63    81    67    68  
   62    64    71    85    63    67  
   64    65    66    69    70    71    72    79    80    85    63    87    73    81    82    67    68    88    75  
   87    67    64    71    79    80    85    86  
   65    66    69    70    71    72    79    73    81    67    68    75  
   66    69    70    71    67  
   69    70    71    67  
   68    88    89    83    69    70    71    72    73    74    79    81    82  
   88    71    73    81    82  
   70    71    72    79    73    74    81    83    75    76    77    78  
   71    72    79    80    85    87    73    74    81    82    88    83    84    75    76    77    78  
   72    79    80    85    86    87    90    73    74    81    83    75    76    77    78  
   79    80    85    87    73    75  
   74    81    82    88    89    83    84    75    76    77    78    79  
   81    82    88    83    84    75  
   76    77    78    79    81    83  
   77    78  
   78  
    0  
   80    85    86    87    90    91    92  
   85    86    87    90  
   82    88    89    83    84  
   88    89    83  
   84    88  
    0  
   86    87    90  
   87  
   90    91    92    93    94    98  
   89  
    0  
   91    92    93    94    95    96    97    98    99   100   101  
   92    93    94    98  
   93    94    95    96    97    98    99   100   101   102   103   104  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101   102   103   104  
  100   101   102   103   104  
  101   102   103   104  
  102   103   104  
  103   104  
  104  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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
  104   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    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   320.000  1.410
   48    51   268.000  1.529
   48    67   268.000  1.529
   48    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    63   320.000  1.410
   62    64   268.000  1.529
   62    71   268.000  1.529
   62    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   320.000  1.410
   70    71   268.000  1.529
   70    73   268.000  1.529
   70    75   268.000  1.529
   71    72   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    85   317.000  1.522
   79    87   320.000  1.410
   85    86   570.000  1.229
   85    63   214.000  1.327
   87    90   214.000  1.327
   90    91   570.000  1.229
   90    92   317.000  1.522
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    98   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   73    74   340.000  1.090
   73    81   268.000  1.529
   73    83   320.000  1.410
   81    82   340.000  1.090
   81    67   268.000  1.529
   81    88   320.000  1.410
   67    68   340.000  1.090
   88    89   553.000  0.945
   83    84   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   49    50   553.000  0.945
   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    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    58.35000  112.70000
   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    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    63.00000  111.10000
   44    46    49    90.00000  109.61100
   46    44    45    80.00000  120.40000
   46    48    51    58.35000  112.70000
   46    48    67    58.35000  112.70000
   46    48    53    58.35000  112.70000
   46    49    50    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    57    58.35000  112.70000
   48    67    62    58.35000  112.70000
   48    67    81    58.35000  112.70000
   48    67    68    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   51    33    37    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    63    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    64    58.35000  112.70000
   60    62    71    58.35000  112.70000
   60    62    67    58.35000  112.70000
   60    63    85    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    69    50.00000  109.50000
   62    71    70    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    79    58.35000  112.70000
   62    67    81    58.35000  112.70000
   62    67    68    37.50000  110.70000
   64    69    70    60.00000  109.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   69    70    71    50.00000  109.50000
   69    70    73    50.00000  109.50000
   69    70    75    50.00000  109.50000
   70    71    72    37.50000  110.70000
   70    71    79    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    81    58.35000  112.70000
   70    73    83    50.00000  109.50000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   71    62    64    58.35000  112.70000
   71    79    80    37.50000  110.70000
   71    79    85    63.00000  111.10000
   71    79    87    50.00000  109.50000
   79    71    72    37.50000  110.70000
   79    85    86    80.00000  120.40000
   79    85    63    81.00000  111.40000
   79    87    90    83.00000  116.90000
   85    79    80    35.00000  109.50000
   63    60    61    35.00000  109.50000
   63    60    62    50.00000  109.50000
   63    85    86    83.00000  123.40000
   87    79    80    35.00000  109.50000
   87    79    85    90.00000  108.74100
   87    90    91    83.00000  123.40000
   87    90    92    81.00000  111.40000
   90    92    93    35.00000  109.50000
   90    92    94    63.00000  111.10000
   90    92    98    63.00000  111.10000
   92    90    91    80.00000  120.40000
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94    97    37.50000  110.70000
   92    98    99    37.50000  110.70000
   92    98   100    37.50000  110.70000
   92    98   101    58.35000  112.70000
   94    92    93    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    92    93    37.50000  110.70000
   98    92    94    58.35000  112.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   73    70    71    58.35000  112.70000
   73    81    82    37.50000  110.70000
   73    81    67    58.35000  112.70000
   73    81    88    50.00000  109.50000
   73    83    84    55.00000  108.50000
   81    73    74    37.50000  110.70000
   81    67    68    37.50000  110.70000
   81    88    89    55.00000  108.50000
   67    48    51    58.35000  112.70000
   67    62    64    58.35000  112.70000
   67    62    71    58.35000  112.70000
   67    81    82    37.50000  110.70000
   88    81    82    35.00000  109.50000
   88    81    67    50.00000  109.50000
   83    73    74    35.00000  109.50000
   83    73    81    50.00000  109.50000
   75    70    71    58.35000  112.70000
   75    70    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   53    48    51    58.35000  112.70000
   53    48    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    51    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
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   73    70    75    77   0.15000  1.0 3.0
   73    70    75    78   0.15000  1.0 3.0
   73    81    67    48   0.56750  1.0 1.0
   73    81    67    48  -0.07550 -1.0 2.0
   73    81    67    48   0.20000  1.0 3.0
   73    81   -67    62   0.56750  1.0 1.0
   73    81   -67    62  -0.07550 -1.0 2.0
   73    81   -67    62   0.20000  1.0 3.0
   73    81    67    68   0.15000  1.0 3.0
   73    81    88    89  -0.11600  1.0 1.0
   73    81    88    89  -0.09450 -1.0 2.0
   73    81    88    89   0.21250  1.0 3.0
   74    73    81    82   0.15000  1.0 3.0
   74    73    81    67   0.15000  1.0 3.0
   74    73    81    88   0.23400  1.0 3.0
   74    73    83    84   0.19450  1.0 3.0
   81    73    83    84  -0.11600  1.0 1.0
   81    73    83    84  -0.09450 -1.0 2.0
   81    73    83    84   0.21250  1.0 3.0
   82    81    67    48   0.15000  1.0 3.0
   82    81    67    62   0.15000  1.0 3.0
   82    81    67    68   0.15000  1.0 3.0
   82    81    88    89   0.19450  1.0 3.0
   67    48    51    33   0.56750  1.0 1.0
   67    48    51    33  -0.07550 -1.0 2.0
   67    48    51    33   0.20000  1.0 3.0
   67    48    51    52   0.15000  1.0 3.0
   67    48   -51    57   0.56750  1.0 1.0
   67    48   -51    57  -0.07550 -1.0 2.0
   67    48   -51    57   0.20000  1.0 3.0
   67    48    53    54   0.15000  1.0 3.0
   67    48    53    55   0.15000  1.0 3.0
   67    48    53    56   0.15000  1.0 3.0
   67    62    64    65   0.15000  1.0 3.0
   67    62    64    66   0.15000  1.0 3.0
   67    62    64    69   0.62750  1.0 1.0
   67    62    64    69  -0.30950 -1.0 2.0
   67    62    64    69   0.27300  1.0 3.0
   67    62   -71    70   0.56750  1.0 1.0
   67    62   -71    70  -0.07550 -1.0 2.0
   67    62   -71    70   0.20000  1.0 3.0
   67    62    71    72   0.15000  1.0 3.0
   67    62    71    79   0.56750  1.0 1.0
   67    62    71    79  -0.07550 -1.0 2.0
   67    62    71    79   0.20000  1.0 3.0
   67    81    88    89  -0.11600  1.0 1.0
   67    81    88    89  -0.09450 -1.0 2.0
   67    81    88    89   0.21250  1.0 3.0
   88    81    67    48   0.86500  1.0 1.0
   88    81    67    48  -0.17500 -1.0 2.0
   88    81    67    48   0.20800  1.0 3.0
   88    81    67    62   0.86500  1.0 1.0
   88    81    67    62  -0.17500 -1.0 2.0
   88    81    67    62   0.20800  1.0 3.0
   88    81    67    68   0.23400  1.0 3.0
   83    73    81    82   0.23400  1.0 3.0
   83    73    81    67   0.86500  1.0 1.0
   83    73    81    67  -0.17500 -1.0 2.0
   83    73    81    67   0.20800  1.0 3.0
   83    73    81    88   3.75450  1.0 1.0
   75    70    71    62   0.56750  1.0 1.0
   75    70    71    62  -0.07550 -1.0 2.0
   75    70    71    62   0.20000  1.0 3.0
   75    70    71    72   0.15000  1.0 3.0
   75    70    71    79   0.56750  1.0 1.0
   75    70    71    79  -0.07550 -1.0 2.0
   75    70    71    79   0.20000  1.0 3.0
   75    70    73    74   0.15000  1.0 3.0
   75    70    73    81   0.56750  1.0 1.0
   75    70    73    81  -0.07550 -1.0 2.0
   75    70    73    81   0.20000  1.0 3.0
   75    70    73    83   0.86500  1.0 1.0
   75    70    73    83  -0.17500 -1.0 2.0
   75    70    73    83   0.20800  1.0 3.0
   53    48    51    33   0.56750  1.0 1.0
   53    48    51    33  -0.07550 -1.0 2.0
   53    48    51    33   0.20000  1.0 3.0
   53    48    51    52   0.15000  1.0 3.0
   53    48    51    57   0.56750  1.0 1.0
   53    48    51    57  -0.07550 -1.0 2.0
   53    48    51    57   0.20000  1.0 3.0
   53    48    67    62   0.56750  1.0 1.0
   53    48    67    62  -0.07550 -1.0 2.0
   53    48    67    62   0.20000  1.0 3.0
   53    48    67    81   0.56750  1.0 1.0
   53    48    67    81  -0.07550 -1.0 2.0
   53    48    67    81   0.20000  1.0 3.0
   53    48    67    68   0.15000  1.0 3.0
   49    46    48    51   0.86500  1.0 1.0
   49    46    48    51  -0.17500 -1.0 2.0
   49    46    48    51   0.20800  1.0 3.0
   49    46    48    67   0.86500  1.0 1.0
   49    46    48    67  -0.17500 -1.0 2.0
   49    46    48    67   0.20800  1.0 3.0
   49    46    48    53   0.86500  1.0 1.0
   49    46    48    53  -0.17500 -1.0 2.0
   49    46    48    53   0.20800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   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    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33    51    57   0.56750  1.0 1.0
   40    33    51    57  -0.07550 -1.0 2.0
   40    33    51    57   0.20000  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
   37    46    44    45  10.50000 -1.0 2.0
   79    63    85    86  10.50000 -1.0 2.0
   87    92    90    91  10.50000 -1.0 2.0
END
