* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    194    321     589
    1     0 S   NP   _N1_     1    29.25712    92.19593   -18.16700
    2     1 S   H    _HN1     2     1.02783    80.95925   -59.88750
    3     1 S   H    _H1_     3     1.02946   115.47149    46.12989
    4     1 S   H    _H2_     4     1.02829    26.99690   123.43184
    5     1 S   CT   _CA1     5     1.50160   124.71032  -170.74456
    6     5 S   HC   _HA1     6     1.09582   105.19507    32.61631
    7     5 S   CO3  _C1_     7     1.53779   112.39490   -87.39858
    8     7 S   O2Z  _O11     8     1.26336   115.03927   -43.93531
    9     7 S   O2Z  _O12     9     1.26246   114.90598   135.13371
   10     5 S   CT   _CB1    10     1.53068   107.35666   150.28979
   11    10 S   HC   HB11    11     1.09804   109.09578   -51.97109
   12    10 S   HC   HB12    12     1.09831   110.47590    64.43219
   13    10 S   CT   _CG1    13     1.53073   112.82141  -173.39553
   14    13 S   HC   HG11    14     1.09579   110.00769   -63.60073
   15    13 S   HC   HG12    15     1.09606   110.42188    55.52958
   16    13 S   C    _CD1    16     1.51824   111.78601   175.23280
   17    16 S   O    _OE1    17     1.22796   122.85256   -24.11116
   18    16 S   N    _N2_    18     1.38569   112.13984   157.02986
   19    18 S   H    _HN2    19     1.01585   119.10826     0.68756
   20    18 S   CT1  _CA2    20     1.46338   123.32823  -176.30949
   21    20 S   HC   _HA2    21     1.09742   109.25154   -20.40542
   22    20 S   C    _C2_    22     1.53394   108.35776  -136.30481
   23    22 S   O    _O2_    23     1.23012   122.31970  -145.74620
   24    20 S   CT   _CB2    32     1.53851   111.39098   101.73059
   25    24 S   HC   HB21    33     1.09427   108.44265    54.59435
   26    24 S   HC   HB22    34     1.09160   109.71512   174.17695
   27    22 S   N    _N3_    24     1.38520   113.25673    41.58357
   28    27 S   H    _HN3    25     1.01545   118.89368    -0.59709
   29    24 S   S    _SG2    35     1.82191   111.12251   -66.12894
   30    27 S   CT   _CA3    26     1.45441   123.43312   175.21251
   31    30 S   HC   HA31    27     1.09525   109.22207    24.52908
   32    30 S   HC   HA32    28     1.09495   107.12359   141.52280
   33    29 S   CT   _C18    36     1.93531   105.84511   177.85506
   34    30 S   CO3  _C3_    29     1.52922   113.13885   -98.94325
   35    34 S   O2Z  _O31    30     1.26401   115.41766   -44.41755
   36    34 S   O2Z  _O32    31     1.26357   114.97419   136.54085
   37    33 S   CT   _C19    37     1.56274   110.29676   -21.98920
   38    37 S   HC   _H5_    38     1.08729   111.49350    43.95123
   39    33 S   CT   _C17    77     1.66941   103.81568  -143.69859
   40    37 S   CO4  _C20    39     1.51650   113.22509   161.32304
   41    40 S   O    _O36    40     1.22658   123.56247   128.57856
   42    39 S   CT   _C26    78     1.55233   112.61841   158.00393
   43    42 S   HC   _H22    79     1.08702   114.47793    48.90065
   44    42 S   HC   _H23    80     1.09527   111.71063   -72.89478
   45    42 S   HC   _H24    81     1.09031   112.04615   169.68565
   46    37 S   OH   _O39    98     1.41612   113.71362   -74.72381
   47    46 S   HO   _H21    99     0.97273   108.14149   176.58488
   48    40 S   OS   _O37    41     1.35500   114.69041   -55.00174
   49    48 S   CT   _C21    42     1.45161   120.30435     6.05576
   50    49 S   HC   _H6_    43     1.10067   103.10290   159.95362
   51    49 S   C5BC _C22    44     1.51012   112.08355   -89.64213
   52    33 S   CT   _C5_    52     1.63554   107.93002    96.03609
   53    51 S   C5BC _C23    45     1.42952   128.40982    13.87690
   54    53 S   HA   _H18    46     1.08073   127.75258     2.78467
   55    52 S   CT   _C6_    53     1.56038   109.69501   132.45678
   56    55 S   HC   _H10    54     1.10024   109.81477  -177.18269
   57    55 S   HC   _H11    55     1.09319   110.74910    69.75350
   58    52 S   CT   _C4_    94     1.55729   116.34114    14.04977
   59    58 S   HC   _H7_    95     1.09291   112.95807   -62.30324
   60    58 S   HC   _H8_    96     1.09734   110.65161   178.35968
   61    58 S   HC   _H9_    97     1.09356   112.81354    59.62983
   62    53 S   C5A  _C24    47     1.37417   107.09054  -177.35041
   63    62 S   HA   _H19    48     1.08030   133.87071  -178.96486
   64    55 S   CT   _C7_    56     1.52358   115.95839   -55.42818
   65    64 S   HC   _H12    57     1.09306   106.78101   155.32585
   66    64 S   HC   _H13    58     1.09549   106.90457   -91.48811
   67    62 S   OA   _O38    49     1.35436   110.32885     2.13478
   68    64 S   CT   _C8_    59     1.54733   115.63416    30.64423
   69    68 S   HC   _H3_    60     1.09828   105.04156   -80.09771
   70    51 S   C5A  _C25    50     1.38450   127.14785  -159.07982
   71    70 S   HA   _H20    51     1.08069   133.43156    -2.45989
   72    68 S   CT   _C9_    61     1.61576   113.89352   169.82334
   73    72 S   CM   _C10    62     1.54429   106.11955    60.64645
   74    73 S   HC   _H14    63     1.08857   115.25546   -48.73440
   75    72 S   CT   _C14    70     1.58104   107.57655  -178.39136
   76    75 S   HC   _H4_    71     1.10264   104.28647   -58.81507
   77    72 S   CT   _C29    90     1.54170   113.76154   -53.70314
   78    77 S   HC   _H31    91     1.09020   113.21187   -72.63044
   79    77 S   HC   _H32    92     1.09624   111.02221   167.20508
   80    77 S   HC   _H33    93     1.09318   112.89690    49.77468
   81    73 S   CM   _C11    64     1.33897   131.39883   131.14089
   82    81 S   HC   _H15    65     1.08543   120.11323  -175.51764
   83    75 S   CT   _C15    72     1.52899   110.69065    55.06455
   84    83 S   HC   _H16    73     1.09592   110.27469   179.27719
   85    83 S   HC   _H17    74     1.09305   113.10911    60.15569
   86    81 S   CO4  _C12    66     1.46376   124.11740     6.23640
   87    86 S   O    _O33    67     1.22063   123.78364  -148.42365
   88    83 S   CO4  _C16    75     1.50365   111.53831   -62.70157
   89    88 S   O    _O35    76     1.23229   117.65047  -130.22517
   90    86 S   OS   _O34    68     1.35125   109.78696    41.29308
   91    90 S   CT   _C13    69     1.44237   116.53103   -97.30874
   92    91 S   CT   _C27    82     1.54706   108.02860   -67.45740
   93    92 S   HC   _H25    83     1.09646   110.72474   -47.81968
   94    92 S   HC   _H26    84     1.09323   112.14587  -168.58185
   95    92 S   HC   _H27    85     1.09541   111.53546    70.43189
   96    91 S   CT   _C28    86     1.53985   105.08435   179.08593
   97    96 S   HC   _H28    87     1.09737   110.24609    54.19976
   98    96 S   HC   _H29    88     1.09103   112.49391   -63.14055
   99    96 S   HC   _H30    89     1.09424   112.52644   174.10685
  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
  30   2   1   1  14   7  24   8   3  11   4   3   2   3   1   8
  17   6  10  14   6   4  12   6   5   4   2   1   1   4   2   9
   4   3   2  15   5   1   1  19  14   5  22   9   6   2   1   1
   5   3   8   4   3   5   2   2   1   9   8   7   3   2   1   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    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    52    55    68    88    39    42    58    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    48    49    50    51    52    55    56    57    64    68    69    72    83    88    89    39    42    43    44    45    58    59    60    61    46    47  
   35    36  
   36  
    0  
   38    40    41    48    49    52    55    68    88    39    42    58    46    47  
   40    41    48    52    39    46    47  
   42    43    44    45    77    58    46    40    49    52    55    64    65    66    68    69    72    73    75    83    84    85    88    89  
   41    48    49    50    51    52    46    47  
   48    49    46  
   43    44    45    52    64    68    69    72    83    88    89  
   44    45    68    88  
   45    68    88  
   68    88  
   47    48    52  
    0  
   49    50    51    53    70    52    55    58  
   50    51    53    54    62    67    70    71    52    55    56    57    64    58    59    60    61  
   51    53    70    52    55    58  
   53    54    62    63    67    70    71    52    55    58  
   55    56    57    64    65    66    68    88    58    59    60    61    53    70  
   54    62    63    67    70    71  
   62    63    67    70  
   56    57    64    65    66    68    69    72    58    59    60    61  
   57    64    65    66    68    58  
   64    65    66    68    58  
   59    60    61    64  
   60    61  
   61  
    0  
   63    67    70    71  
   67    70  
   65    66    68    69    72    73    75    88    77  
   66    68    69    72  
   68    69    72  
   70    71  
   69    72    73    74    81    91    75    76    83    88    89    77    78    79    80  
   72    73    75    88    77  
   71  
    0  
   73    74    81    82    86    90    91    75    76    83    84    85    88    92    96    77    78    79    80  
   74    81    82    86    87    90    91    75    76    83    77    78    79    80  
   81    82    86    75    77  
   76    83    84    85    88    89    92    93    94    95    96    97    98    99    77    78    79    80    81    86    90    91  
   83    84    85    88    92    96    77    90    91  
   78    79    80    81    83    91  
   79    80  
   80  
    0  
   82    86    87    90    91  
   86    87    90  
   84    85    88    89    92    96    90    91  
   85    88    89    91  
   88    89    91  
   87    90    91    92    96  
   90    91  
   89    91  
    0  
   91    92    93    94    95    96    97    98    99  
   92    93    94    95    96    97    98    99  
   93    94    95    96    97    98    99  
   94    95    96  
   95    96  
   96  
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   268.000  1.529
   33    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    40   317.000  1.522
   37    46   320.000  1.410
   40    41   570.000  1.229
   40    48   214.000  1.327
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   285.000  1.502
   49    52   268.000  1.529
   51    53   469.000  1.424
   51    70   546.000  1.367
   53    54   367.000  1.080
   53    62   546.000  1.367
   62    63   367.000  1.080
   62    67   340.000  1.360
   67    70   340.000  1.360
   70    71   367.000  1.080
   52    55   268.000  1.529
   52    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    39   268.000  1.529
   72    73   317.000  1.510
   72    75   268.000  1.529
   72    77   268.000  1.529
   73    74   340.000  1.080
   73    81   549.000  1.340
   81    82   340.000  1.080
   81    86   320.000  1.462
   86    87   570.000  1.229
   86    90   214.000  1.327
   90    91   320.000  1.410
   91    75   268.000  1.529
   91    92   268.000  1.529
   91    96   268.000  1.529
   75    76   340.000  1.090
   75    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    88   317.000  1.522
   88    89   570.000  1.229
   88    39   317.000  1.522
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   46    47   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  111.63000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    40    63.00000  111.10000
   33    37    46    50.00000  109.50000
   33    52    49    58.35000  112.70000
   33    52    55    58.35000  112.70000
   33    52    58    58.35000  112.70000
   33    39    68    58.35000  112.70000
   33    39    88    63.00000  111.10000
   33    39    42    58.35000  112.70000
   37    40    41    80.00000  120.40000
   37    40    48    81.00000  111.40000
   37    46    47    55.00000  108.50000
   40    37    38    35.00000  109.50000
   40    48    49    83.00000  116.90000
   48    40    41    83.00000  123.40000
   48    49    50    35.00000  109.50000
   48    49    51    85.00000  111.85700
   48    49    52    50.00000  109.50000
   49    51    53    60.00000  130.00000
   49    51    70    60.00000  130.00000
   49    52    55    58.35000  112.70000
   49    52    58    58.35000  112.70000
   51    49    50    35.00000  109.50000
   51    53    54    35.00000  127.50000
   51    53    62    70.00000  107.30000
   51    70    67    70.00000  110.60000
   51    70    71    35.00000  132.10000
   53    62    63    35.00000  132.10000
   53    62    67    70.00000  110.60000
   62    53    54    35.00000  125.70000
   62    67    70    70.00000  106.50000
   67    62    63    35.00000  113.40000
   67    70    71    35.00000  113.40000
   70    51    53    70.00000  107.30000
   52    33    37    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    49    51    70.00000  112.17500
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    64    58.35000  112.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    68    58.35000  112.70000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68    39    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    72    73    70.00000  112.02700
   68    72    75    58.35000  112.70000
   68    72    77    58.35000  112.70000
   68    39    88    63.00000  111.10000
   68    39    42    58.35000  112.70000
   72    68    69    37.50000  110.70000
   72    73    74    35.00000  117.00000
   72    73    81    70.00000  124.00000
   72    75    91    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    83    58.35000  112.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    37.50000  110.70000
   73    81    82    35.00000  120.00000
   73    81    86    65.00000  118.96000
   81    73    74    35.00000  120.00000
   81    86    87    80.00000  123.72100
   81    86    90    90.00000  111.29400
   86    81    82    40.00000  117.72500
   86    90    91    83.00000  116.90000
   90    86    87    83.00000  123.40000
   90    91    75    50.00000  109.50000
   90    91    92    50.00000  109.50000
   90    91    96    50.00000  109.50000
   91    75    76    37.50000  110.70000
   91    75    83    58.35000  112.70000
   91    92    93    37.50000  110.70000
   91    92    94    37.50000  110.70000
   91    92    95    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
   75    72    73    70.00000  112.02700
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    88    63.00000  111.10000
   83    75    76    37.50000  110.70000
   83    88    89    80.00000  120.40000
   83    88    39    70.00000  116.00000
   85    83    84    33.00000  107.80000
   88    83    84    35.00000  109.50000
   88    83    85    35.00000  109.50000
   88    39    42    63.00000  111.10000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   39    68    69    37.50000  110.70000
   39    68    72    58.35000  112.70000
   39    88    89    80.00000  120.40000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   92    91    75    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   96    91    75    58.35000  112.70000
   96    91    92    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   77    72    73    70.00000  112.02700
   77    72    75    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   58    52    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   46    37    38    35.00000  109.50000
   46    37    40    90.00000  109.61100
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
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   77    72    75    91   0.56750  1.0 1.0
   77    72    75    91  -0.07550 -1.0 2.0
   77    72    75    91   0.20000  1.0 3.0
   77    72    75    76   0.15000  1.0 3.0
   77    72    75    83   0.56750  1.0 1.0
   77    72    75    83  -0.07550 -1.0 2.0
   77    72    75    83   0.20000  1.0 3.0
   58    52    55    56   0.15000  1.0 3.0
   58    52    55    57   0.15000  1.0 3.0
   58    52    55    64   0.56750  1.0 1.0
   58    52    55    64  -0.07550 -1.0 2.0
   58    52    55    64   0.20000  1.0 3.0
   46    37    40    41   0.30150 -1.0 2.0
   46    37    40    48   0.30750  1.0 1.0
   46    37    40    48   1.13850 -1.0 2.0
   46    37    40    48   0.38850  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    48    40    41  10.50000 -1.0 2.0
   53    70    51    49   4.00000 -1.0 2.0
   62    54    53    51   1.10000 -1.0 2.0
   67    63    62    53   1.10000 -1.0 2.0
   67    71    70    51   1.10000 -1.0 2.0
   72    74    73    81   1.10000 -1.0 2.0
   86    82    81    73   1.10000 -1.0 2.0
   81    90    86    87  10.50000 -1.0 2.0
   83    39    88    89  10.50000 -1.0 2.0
END
