* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    189    317     578
    1     0 S   NP   _N1_     1    29.14092    94.89489   -17.94773
    2     1 S   H    _HN1     2     1.02953    96.22981    14.11205
    3     1 S   H    _H1_     3     1.02843    54.34775   120.42688
    4     1 S   H    _H2_     4     1.02778    61.03392   -93.54396
    5     1 S   CT   _CA1     5     1.50165   152.90091  -176.25660
    6     5 S   HC   _HA1     6     1.09527   105.27616     8.64965
    7     5 S   CO3  _C1_     7     1.54180   112.49570  -112.02675
    8     7 S   O2Z  _O11     8     1.26406   114.96333   -30.68627
    9     7 S   O2Z  _O12     9     1.26237   115.35644   148.85122
   10     5 S   CT   _CB1    10     1.53208   107.58050   127.60968
   11    10 S   HC   HB11    11     1.09809   110.51802   -37.05506
   12    10 S   HC   HB12    12     1.09850   109.81742    79.72799
   13    10 S   CT   _CG1    13     1.53155   112.48479  -157.76563
   14    13 S   HC   HG11    14     1.09300   110.70888   -42.57912
   15    13 S   HC   HG12    15     1.09596   110.19462    75.98019
   16    13 S   C    _CD1    16     1.51726   111.41285  -164.06127
   17    16 S   O    _OE1    17     1.22796   122.65796   -29.58444
   18    16 S   N    _N2_    18     1.38474   112.17988   150.90371
   19    18 S   H    _HN2    19     1.01609   119.25740     2.16229
   20    18 S   CT1  _CA2    20     1.46190   123.42914  -173.28449
   21    20 S   HC   _HA2    21     1.09715   109.43606    -9.29995
   22    20 S   C    _C2_    22     1.53331   108.91993  -125.51933
   23    22 S   O    _O2_    23     1.23038   122.16429  -147.99283
   24    20 S   CT   _CB2    32     1.53633   110.80308   112.34739
   25    24 S   HC   HB21    33     1.09342   108.94251    58.84773
   26    24 S   HC   HB22    34     1.09480   110.27655   177.32475
   27    22 S   N    _N3_    24     1.38489   113.50308    39.56668
   28    27 S   H    _HN3    25     1.01516   118.88854    -0.73675
   29    24 S   S    _SG2    35     1.83305   111.13829   -62.84204
   30    27 S   CT   _CA3    26     1.45419   123.32877   175.37010
   31    30 S   HC   HA31    27     1.09535   109.09371    27.27245
   32    30 S   HC   HA32    28     1.09494   107.16369   144.21061
   33    29 S   CT   _C23    36     1.89750   101.98327   161.84956
   34    30 S   CO3  _C3_    29     1.52908   113.19051   -96.13060
   35    34 S   O2Z  _O31    30     1.26398   115.42214   -45.51545
   36    34 S   O2Z  _O32    31     1.26364   114.98604   135.47258
   37    33 S   CO4  _C11    37     1.52774   103.76329    58.85016
   38    37 S   O    _O27    38     1.23179   121.69278    59.29071
   39    33 S   CM   _C12    49     1.52720   107.94890   -61.97139
   40    37 S   CA   _C6_    39     1.47262   119.68478  -121.51988
   41    39 S   CT   _C19    50     1.54402   114.24225   -66.24013
   42    41 S   HC   _H49    51     1.09708   110.20288  -148.49404
   43    40 S   CA   _C4_    40     1.40794   116.64722  -177.37035
   44    43 S   HA   _H38    41     1.08790   121.17959     0.00000
   45    41 S   CT   _C16    52     1.53557   113.96811   -28.61871
   46    45 S   HC   _H44    53     1.09340   110.17006    93.98509
   47    45 S   HC   _H45    54     1.09869   107.59699  -152.02823
   48    41 S   OH   _O33    76     1.42608   109.85320    94.06749
   49    48 S   HO   _H60    77     0.97516   107.36291   173.64282
   50    43 S   CA   _C5_    42     1.38873   121.03601  -179.84423
   51    50 S   HA   _H39    43     1.08685   118.90859   179.35867
   52    45 S   CT   _C25    55     1.53184   111.27583   -31.29429
   53    50 S   CA   _C8_    44     1.39279   120.10669    -0.45413
   54    52 S   CT   _C17    56     1.54092   113.09840  -170.91953
   55    54 S   HC   _H46    57     1.09897   109.77730    57.10698
   56    54 S   HC   _H47    58     1.10064   107.91614   168.97677
   57    52 S   OH   _O37    74     1.44366   106.88113   -55.60723
   58    57 S   HO   _H64    75     0.97237   108.25587   -57.33027
   59    53 S   CA   _C9_    45     1.41354   118.17544     1.18581
   60    54 S   CT   _C26    59     1.53806   115.61208   -68.36657
   61    53 S   CT   _C18    80     1.51944   120.47893   179.02562
   62    61 S   HC   _H48    81     1.09734   109.05538   149.21174
   63    40 S   CA   _C7_    46     1.40003   121.59447     3.17694
   64    60 S   CT   _C14    60     1.52820   113.20472   -24.50845
   65    64 S   HC   _H40    61     1.09712   110.70890  -150.27911
   66    64 S   HC   _H41    62     1.09311   112.18924    90.65891
   67    60 S   CT   _C28    68     1.53216   111.90455   100.61684
   68    67 S   HC   _H56    69     1.09609   111.00403    58.25517
   69    67 S   HC   _H57    70     1.09261   112.13756   -63.00354
   70    67 S   HC   _H58    71     1.09628   110.65785   175.96381
   71    60 S   OH   _O38    72     1.43584   107.51773  -142.81654
   72    71 S   HO   _H65    73     0.97278   107.98844   -58.40572
   73    59 S   OH   _O30    78     1.37909   114.58282   178.44154
   74    73 S   HO   _H59    79     0.97506   107.65153  -179.90935
   75    61 S   CT   _C15    82     1.53045   110.67515   -89.02483
   76    75 S   HC   _H42    83     1.09708   111.35141   -59.14066
   77    75 S   HC   _H43    84     1.09902   110.34718    58.01944
   78    63 S   CMA  _C10    47     1.52518   121.71046     0.09065
   79    78 S   OM   _O26    48     1.26977   118.79582   178.35004
   80    64 S   CO4  _C13    63     1.51251   110.86289   -30.31049
   81    80 S   O    _O28    64     1.23341   120.02852  -121.71685
   82    75 S   CT   _C20    85     1.52610   110.68924   178.32719
   83    82 S   HC   _H50    86     1.09673   110.36757    70.28470
   84    33 S   CT   _C24    65     1.59377   112.09357   176.28227
   85    82 S   CT   _C21    87     1.53166   110.74983   -51.77234
   86    85 S   HC   _H51    88     1.09709   108.90595   -71.02678
   87    82 S   OH   _O34    98     1.42594   109.36687  -172.13079
   88    87 S   HO   _H61    99     0.97252   107.55468   -58.12837
   89    84 S   OH   _O36    66     1.44920   110.39589  -144.44011
   90    89 S   HO   _H63    67     0.97430   108.17988    68.09334
   91    85 S   CT   _C22    89     1.53433   110.78798    50.35386
   92    91 S   HC   _H52    90     1.09799   110.38004    66.48109
   93    85 S   OH   _O35    96     1.42685   109.79994   172.15087
   94    93 S   HO   _H62    97     0.97227   108.07373   -58.54099
   95    61 S   OS   _O29    91     1.43504   110.01390    32.35637
   96    91 S   CT   _C27    92     1.52519   111.59666  -173.94249
   97    96 S   HC   _H53    93     1.09564   110.91429    60.54626
   98    96 S   HC   _H54    94     1.09396   111.69504   -60.94121
   99    96 S   HC   _H55    95     1.09555   110.28247   178.39843
  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  11   5   4   3
  21   2   1   1  14   5  16  11  13   7   8   4  15   6   5   3
   1   9   3  14  13  17   7   6   5   1   9  12  14   6   4  12
   6   5   6   3   2   1   2   1   2   1  11   6   5   2   1   4
   2  11   6   2  12   7   3   1   1   1   8   6   3   1   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    84    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    78    39    41    52    80    84    89  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    63    78    79    39    41    42    45    52    54    64    80    81    84    89    90    57    48  
   35    36  
   36  
    0  
   38    40    43    44    50    59    63    78    39    41    52    80    84    89  
   40    43    63    39    84  
   41    42    45    46    47    52    80    84    89    48    49    40    59    63    78    79  
   43    44    50    51    53    59    63    78    79    84    73  
   42    45    46    47    52    54    84    57    48    49    63    78    79  
   45    46    47    52    48    49    78  
   44    50    51    53    59    63    78    61  
   50    51    53    63  
   46    47    52    54    55    56    60    80    84    89    57    58    48    49    78  
   47    52    54    84    57    48  
   52    54    84    57    48  
   49    52    78  
    0  
   51    53    59    63    73    61    62    75    95  
   53    59    61  
   54    55    56    60    64    80    81    84    89    90    67    71    57    58  
   59    63    78    73    74    61    62    75    76    77    82    91    95  
   55    56    60    64    65    66    80    84    89    67    68    69    70    71    72    57    58  
   56    60    64    84    67    71    57  
   60    64    84    67    71    57  
   58    60    80    84    89  
   84  
   63    78    79    73    74    61    62    75    95  
   64    65    66    80    81    84    67    68    69    70    71    72  
   62    75    76    77    82    83    85    91    92    95    96    87    63    73  
   75    76    77    82    91    95  
   78    79    73    74  
   65    66    80    81    84    89    67    68    69    70    71    72  
   66    80    81    84    67    71  
   80    81    84    67    71  
   68    69    70    71    72    80  
   69    70    71  
   70    71  
   71  
   72    80  
    0  
   74    78  
    0  
   76    77    82    83    85    86    91    95    93    87    88  
   77    82    83    85    95    87  
   82    83    85    95    87  
   79    84  
    0  
   81    84    89    90  
   84    89  
   83    85    86    91    92    95    96    93    94    87    88  
   85    86    91    93    87    88  
   89    90  
   86    91    92    95    96    97    98    99    93    94    87    88  
   91    92    95    96    93    94    87  
   88    91    93  
    0  
   90  
    0  
   92    95    96    97    98    99    93    94  
   95    96    97    98    99    93  
   94    95    96  
    0  
   96    97    98    99  
   97    98    99  
   98    99  
   99  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   79   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   80   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   317.000  1.510
   33    84   268.000  1.529
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    63   469.000  1.400
   43    44   367.000  1.080
   43    50   469.000  1.400
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    59   469.000  1.400
   53    61   317.000  1.510
   59    63   469.000  1.400
   59    73   450.000  1.364
   63    78   320.000  1.460
   78    79   745.000  1.250
   78    39   465.000  1.376
   39    41   317.000  1.510
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   268.000  1.529
   52    54   268.000  1.529
   52    84   268.000  1.529
   52    57   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    64   268.000  1.529
   60    67   268.000  1.529
   60    71   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    80   317.000  1.522
   80    81   570.000  1.229
   80    84   317.000  1.522
   84    89   320.000  1.410
   89    90   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   57    58   553.000  0.945
   48    49   553.000  0.945
   73    74   553.000  0.945
   61    62   340.000  1.090
   61    75   268.000  1.529
   61    95   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    82   268.000  1.529
   82    83   340.000  1.090
   82    85   268.000  1.529
   82    87   320.000  1.410
   85    86   340.000  1.090
   85    91   268.000  1.529
   85    93   320.000  1.410
   91    92   340.000  1.090
   91    95   320.000  1.410
   91    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   93    94   553.000  0.945
   87    88   553.000  0.945
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  110.18000
   29    33    39    75.00000  112.20000
   29    33    84    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    39    78    70.00000  124.00000
   33    39    41    65.00000  117.92700
   33    84    52    58.35000  112.70000
   33    84    80    63.00000  111.10000
   33    84    89    50.00000  109.50000
   37    40    43    60.00000  119.52600
   37    40    63    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    44    35.00000  120.00000
   40    43    50    63.00000  120.00000
   40    63    59    63.00000  120.00000
   40    63    78    60.00000  120.93500
   43    50    51    35.00000  120.00000
   43    50    53    63.00000  120.00000
   50    43    44    35.00000  120.00000
   50    53    59    63.00000  120.00000
   50    53    61    70.00000  120.00000
   53    50    51    35.00000  120.00000
   53    59    63    63.00000  120.00000
   53    59    73    70.00000  120.00000
   53    61    62    35.00000  109.50000
   53    61    75    70.00000  112.17500
   53    61    95    85.00000  111.85700
   59    63    78    60.00000  120.93500
   59    73    74    35.00000  113.00000
   63    40    43    63.00000  120.00000
   63    78    79    85.00000  114.86500
   63    78    39    60.00000  123.20500
   78    39    41    70.00000  124.00000
   39    33    37    70.00000  109.06800
   39    78    79    65.00000  137.10300
   39    41    42    35.00000  109.50000
   39    41    45    70.00000  112.02700
   39    41    48    90.00000  110.39200
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    52    58.35000  112.70000
   41    48    49    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    52    54    58.35000  112.70000
   45    52    84    58.35000  112.70000
   45    52    57    50.00000  109.50000
   47    45    46    33.00000  107.80000
   52    45    46    37.50000  110.70000
   52    45    47    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    60    58.35000  112.70000
   52    84    80    63.00000  111.10000
   52    84    89    50.00000  109.50000
   52    57    58    55.00000  108.50000
   54    60    64    58.35000  112.70000
   54    60    67    58.35000  112.70000
   54    60    71    50.00000  109.50000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    80    63.00000  111.10000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   60    71    72    55.00000  108.50000
   64    80    81    80.00000  120.40000
   64    80    84    70.00000  116.00000
   66    64    65    33.00000  107.80000
   80    64    65    35.00000  109.50000
   80    64    66    35.00000  109.50000
   80    84    89    90.00000  109.61100
   84    33    37    63.00000  111.10000
   84    33    39    70.00000  112.02700
   84    52    54    58.35000  112.70000
   84    80    81    80.00000  120.40000
   84    89    90    55.00000  108.50000
   67    60    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    60    64    50.00000  109.50000
   71    60    67    50.00000  109.50000
   57    52    54    50.00000  109.50000
   57    52    84    50.00000  109.50000
   48    41    42    35.00000  109.50000
   48    41    45    50.00000  109.50000
   73    59    63    70.00000  120.00000
   61    53    59    70.00000  120.00000
   61    75    76    37.50000  110.70000
   61    75    77    37.50000  110.70000
   61    75    82    58.35000  112.70000
   61    95    91    60.00000  109.50000
   75    61    62    37.50000  110.70000
   75    82    83    37.50000  110.70000
   75    82    85    58.35000  112.70000
   75    82    87    50.00000  109.50000
   77    75    76    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    77    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    91    58.35000  112.70000
   82    85    93    50.00000  109.50000
   82    87    88    55.00000  108.50000
   85    82    83    37.50000  110.70000
   85    91    92    37.50000  110.70000
   85    91    95    50.00000  109.50000
   85    91    96    58.35000  112.70000
   85    93    94    55.00000  108.50000
   91    85    86    37.50000  110.70000
   91    96    97    37.50000  110.70000
   91    96    98    37.50000  110.70000
   91    96    99    37.50000  110.70000
   95    61    62    35.00000  109.50000
   95    61    75    50.00000  109.50000
   95    91    92    35.00000  109.50000
   96    91    92    37.50000  110.70000
   96    91    95    50.00000  109.50000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   93    85    86    35.00000  109.50000
   93    85    91    50.00000  109.50000
   87    82    83    35.00000  109.50000
   87    82    85    50.00000  109.50000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    84   0.01700  1.0 1.0
   24    29    33    84  -0.23550 -1.0 2.0
   24    29    33    84   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    39    78   0.42700  1.0 1.0
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   95    91    96    99   0.23400  1.0 3.0
   96    91    95    61   0.06250  1.0 1.0
   96    91    95    61  -0.01100 -1.0 2.0
   96    91    95    61   0.28050  1.0 3.0
   93    85    91    92   0.23400  1.0 3.0
   93    85    91    95   3.69350  1.0 1.0
   93    85    91    95  -1.82950 -1.0 2.0
   93    85    91    96   0.86500  1.0 1.0
   93    85    91    96  -0.17500 -1.0 2.0
   93    85    91    96   0.20800  1.0 3.0
   87    82    85    86   0.23400  1.0 3.0
   87    82    85    91   0.86500  1.0 1.0
   87    82    85    91  -0.17500 -1.0 2.0
   87    82    85    91   0.20800  1.0 3.0
   87    82    85    93   3.75450  1.0 1.0
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
   33    40    37    38  10.50000 -1.0 2.0
   43    63    40    37   4.00000 -1.0 2.0
   50    44    43    40   1.10000 -1.0 2.0
   53    51    50    43   1.10000 -1.0 2.0
   59    61    53    50   4.00000 -1.0 2.0
   63    73    59    53   4.00000 -1.0 2.0
   59    78    63    40   4.00000 -1.0 2.0
   63    79    78    39   1.10000 -1.0 2.0
   33    41    39    78   1.10000 -1.0 2.0
   64    84    80    81  10.50000 -1.0 2.0
END
