* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    191    321     585
    1     0 S   NP   _N1_     1    28.46155    96.94790   -20.67216
    2     1 S   H    _HN1     2     1.02776    89.48891  -103.15203
    3     1 S   H    _H1_     3     1.02958    74.43928     6.07786
    4     1 S   H    _H2_     4     1.02834    45.36226   140.69650
    5     1 S   CT   _CA1     5     1.50144   153.49918   110.64510
    6     5 S   HC   _HA1     6     1.09568   105.21923    81.61187
    7     5 S   CO3  _C1_     7     1.53836   112.35597   -38.62448
    8     7 S   O2Z  _O11     8     1.26371   114.99079   -42.23507
    9     7 S   O2Z  _O12     9     1.26229   114.97539   136.82024
   10     5 S   CT   _CB1    10     1.53097   107.41264  -160.36882
   11    10 S   HC   HB11    11     1.09823   109.49340   -49.03512
   12    10 S   HC   HB12    12     1.09823   110.35115    67.59334
   13    10 S   CT   _CG1    13     1.52986   112.62950  -170.07080
   14    13 S   HC   HG11    14     1.09616   110.40846   -62.21502
   15    13 S   HC   HG12    15     1.09642   110.02429    56.99636
   16    13 S   C    _CD1    16     1.51842   112.32621   177.46333
   17    16 S   O    _OE1    17     1.22732   123.33468    -2.96306
   18    16 S   N    _N2_    18     1.38446   111.56808   176.58052
   19    18 S   H    _HN2    19     1.01607   119.04178     5.32646
   20    18 S   CT1  _CA2    20     1.45913   123.34685  -178.07278
   21    20 S   HC   _HA2    21     1.09713   109.26024    14.59813
   22    20 S   C    _C2_    22     1.52982   107.67636  -102.70275
   23    22 S   O    _O2_    23     1.22965   123.05755   -18.66287
   24    20 S   CT   _CB2    32     1.53302   111.26977   137.21785
   25    24 S   HC   HB21    33     1.09166   109.33095    60.25264
   26    24 S   HC   HB22    34     1.09445   110.01101   178.08511
   27    22 S   N    _N3_    24     1.38627   112.59452   163.89715
   28    27 S   H    _HN3    25     1.01638   120.25054    -4.92657
   29    24 S   S    _SG2    35     1.83013   110.62295   -62.65541
   30    27 S   CT   _CA3    26     1.45440   122.54519   177.80510
   31    30 S   HC   HA31    27     1.09576   108.21795   -43.13144
   32    30 S   HC   HA32    28     1.09531   107.37961    73.24887
   33    29 S   CT   _C17    36     1.87209   103.26594   155.65572
   34    30 S   CO3  _C3_    29     1.52853   114.09805  -165.93757
   35    34 S   O2Z  _O31    30     1.26368   116.01765   -21.52505
   36    34 S   O2Z  _O32    31     1.26381   114.69468   158.50313
   37    33 S   CO4  _C16    37     1.53058   108.03124    39.41645
   38    37 S   O    _O35    38     1.22828   123.21474  -110.41293
   39    33 S   CT   _C18    88     1.55108   111.24260   -81.74381
   40    39 S   HC   _H7_    89     1.09801   109.36368   173.20760
   41    37 S   CA   _C14    39     1.48208   117.37067    67.36022
   42    39 S   OH   _O41    90     1.42782   113.06165    55.73305
   43    42 S   HO   _H28    91     0.97371   106.93712    67.59176
   44    41 S   CA   _C13    40     1.39603   119.02673    24.35257
   45    44 S   CA   _C12    41     1.39925   119.57101  -175.98805
   46    45 S   HA   _H15    42     1.08745   121.14941   179.73756
   47    44 S   CO4  _C27    69     1.48672   121.47386     3.68212
   48    47 S   O    _O37    70     1.22812   118.01528   177.15745
   49    45 S   CA   _C11    43     1.39595   120.39617     0.98118
   50    49 S   HA   _H14    44     1.08773   118.56586   177.91494
   51    33 S   CT   _C26    71     1.56494   112.12267   156.59005
   52    51 S   HC   _H8_    72     1.10730   104.86080  -172.14627
   53    49 S   CA   _C10    45     1.40216   120.91677    -0.80624
   54    51 S   CT   _C25    73     1.58357   115.26515    71.99641
   55    54 S   OM   _O38    74     1.33144   107.39064   164.03101
   56    41 S   CA   _C15    46     1.40664   121.00239  -151.40916
   57    53 S   CT   _C9_    49     1.51874   120.64435   175.39019
   58    57 S   HC   _H6_    50     1.09737   109.14912   151.27793
   59    54 S   CO4  _C24    75     1.55216   115.71735   -82.24768
   60    59 S   O    _O36    76     1.23295   123.32274    -9.13988
   61    56 S   OH   _O34    47     1.37242   121.86625    -2.45168
   62    61 S   HO   _H16    48     0.97334   109.33875    -7.67366
   63    57 S   CT   _C8_    51     1.53068   109.77500   -87.37501
   64    63 S   HC   _H12    52     1.09656   110.97274   -59.45871
   65    63 S   HC   _H13    53     1.09911   110.39010    57.47343
   66    59 S   CT   _C23    77     1.52244   117.96119   174.53969
   67    66 S   HC   _H21    78     1.09695   108.67482    71.12015
   68    66 S   HC   _H22    79     1.09751   108.89634  -174.56069
   69    63 S   CT   _C7_    54     1.52478   111.08633   177.95168
   70    69 S   HC   _H5_    55     1.09654   110.34745    71.06856
   71    66 S   CT   _C22    80     1.52366   112.28110   -52.18286
   72    69 S   CT   _C6_    56     1.53219   110.65035   -51.10619
   73    72 S   HC   _H4_    57     1.09714   108.87604   -71.46155
   74    69 S   OH   _O42    67     1.42616   109.38963  -171.31821
   75    74 S   HO   _H29    68     0.97620   107.73655   -53.50235
   76    71 S   CT   _C21    81     1.53669   110.87155    50.96521
   77    76 S   HC   _H19    82     1.09941   109.88679  -176.26315
   78    76 S   HC   _H20    83     1.10102   108.14101    72.36408
   79    71 S   CT   _C28    94     1.53117   110.94364   -77.52939
   80    79 S   HC   _H23    95     1.09554   110.96059   170.88960
   81    79 S   HC   _H24    96     1.09213   112.93574    48.41628
   82    79 S   HC   _H25    97     1.09684   110.50712   -71.52388
   83    71 S   OH   _O39    98     1.43801   106.89161   167.05522
   84    83 S   HO   _H26    99     0.97284   107.70866   178.80515
   85    72 S   CT   _C5_    58     1.53501   110.93556    49.86686
   86    85 S   HC   _H3_    59     1.09802   110.33693    66.45252
   87    72 S   OH   _O43    65     1.42697   109.88163   171.72566
   88    87 S   HO   _H30    66     0.97228   108.03970   -55.97345
   89    54 S   CT   _C20    84     1.57220   112.19289    45.42499
   90    57 S   OS   _O33    60     1.43288   110.34552    33.85991
   91    85 S   CT   _C4_    61     1.52529   111.59440  -174.00815
   92    91 S   HC   _H9_    62     1.09564   110.90972    60.56791
   93    91 S   HC   _H10    63     1.09395   111.70194   -60.92079
   94    91 S   HC   _H11    64     1.09555   110.28283   178.41947
   95    89 S   CT   _C19    85     1.53462   113.16473   -44.32909
   96    95 S   HC   _H17    86     1.08990   112.53307   -71.78170
   97    95 S   HC   _H18    87     1.09947   109.70950   171.81357
   98    89 S   OH   _O40    92     1.44987   109.16851    70.67640
   99    98 S   HO   _H27    93     0.97501   105.75502    42.37725
  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  12   5   4   3
  20   2   1   1  15   5  14   7  12   6   1  12   9   4   9   3
   8   3  10   4  11  16   7   6  13   6  11   5   1   1  11   6
   5  13   5   4  11   6  12  12   7   3   1  14   6   5   6   3
   2   1   2   1   8   6   3   1   5   4   3   2   1   1   4   2
   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    47    51    52    54    95    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    56    47    48    51    52    54    55    59    89    95    96    97    39    40    42    43  
   35    36  
   36  
    0  
   38    41    44    45    53    56    61    47    51    52    54    95    39    40    42  
   41    44    56    51    39  
   40    42    43    98    41    47    51    52    54    76    89    95    96    97  
   42    43    51    89    95    96    97  
   44    45    46    49    53    56    61    62    57    47    48    51  
   43    51    89    95    96    97  
   95  
   45    46    49    50    53    56    61    47    48    51    52    54  
   46    49    50    53    56    57    47    48    51  
   49    50    53    47  
   48    51    52    54    55    59    89    49    56  
   51    52    54  
   50    53    56    61    57    58    63    90  
   53    56    57  
   52    54    55    59    60    66    76    89    95    98  
   54    55    59    89  
   56    61    62    57    58    63    64    65    69    85    90  
   55    59    60    66    67    68    71    76    77    78    89    95    96    97    98    99  
   59    60    66    76    89    95    98  
   61    62    57    58    63    90  
   58    63    64    65    69    70    72    85    86    90    91    74    61  
   63    64    65    69    85    90  
   60    66    67    68    71    76    89    95    98    79    83  
   66    67    68    71    89  
   62  
    0  
   64    65    69    70    72    73    85    90    87    74    75  
   65    69    70    72    90    74  
   69    70    72    90    74  
   67    68    71    76    77    78    89    79    80    81    82    83    84  
   68    71    76    79    83  
   71    76    79    83  
   70    72    73    85    86    90    91    87    88    74    75  
   72    73    85    87    74    75  
   76    77    78    89    95    98    79    80    81    82    83    84  
   73    85    86    90    91    92    93    94    87    88    74    75  
   85    86    90    91    87    88    74  
   75    85    87  
    0  
   77    78    89    95    96    97    98    99    79    80    81    82    83    84  
   78    89    95    98    79    83  
   89    95    98    79    83  
   80    81    82    83    84    89  
   81    82    83  
   82    83  
   83  
   84    89  
    0  
   86    90    91    92    93    94    87    88  
   90    91    92    93    94    87  
   88    90    91  
    0  
   95    96    97    98    99  
   91    92    93    94  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98    99  
   97    98  
   98  
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    51   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    56   469.000  1.400
   44    45   469.000  1.400
   44    47   310.000  1.470
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    53   469.000  1.400
   53    56   469.000  1.400
   53    57   317.000  1.510
   56    61   450.000  1.364
   61    62   553.000  0.945
   57    58   340.000  1.090
   57    63   268.000  1.529
   57    90   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    72   268.000  1.529
   69    74   320.000  1.410
   72    73   340.000  1.090
   72    85   268.000  1.529
   72    87   320.000  1.410
   85    86   340.000  1.090
   85    90   320.000  1.410
   85    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   87    88   553.000  0.945
   74    75   553.000  0.945
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    54   268.000  1.529
   54    55   570.000  1.307
   54    59   317.000  1.522
   54    89   268.000  1.529
   59    60   570.000  1.229
   59    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    76   268.000  1.529
   71    79   268.000  1.529
   71    83   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    89   268.000  1.529
   89    95   268.000  1.529
   89    98   320.000  1.410
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    39   268.000  1.529
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   98    99   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   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    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    54    58.35000  112.70000
   33    39    95    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    56    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    63.00000  120.00000
   41    44    47    60.00000  119.52600
   41    56    53    63.00000  120.00000
   41    56    61    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    75.00000  123.78400
   44    47    51    65.00000  115.47100
   45    49    50    35.00000  120.00000
   45    49    53    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    53    56    63.00000  120.00000
   49    53    57    70.00000  120.00000
   53    49    50    35.00000  120.00000
   53    56    61    70.00000  120.00000
   53    57    58    35.00000  109.50000
   53    57    63    70.00000  112.17500
   53    57    90    85.00000  111.85700
   56    41    44    63.00000  120.00000
   56    61    62    35.00000  113.00000
   57    53    56    70.00000  120.00000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    69    58.35000  112.70000
   57    90    85    60.00000  109.50000
   63    57    58    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    72    58.35000  112.70000
   63    69    74    50.00000  109.50000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    85    58.35000  112.70000
   69    72    87    50.00000  109.50000
   69    74    75    55.00000  108.50000
   72    69    70    37.50000  110.70000
   72    85    86    37.50000  110.70000
   72    85    90    50.00000  109.50000
   72    85    91    58.35000  112.70000
   72    87    88    55.00000  108.50000
   85    72    73    37.50000  110.70000
   85    91    92    37.50000  110.70000
   85    91    93    37.50000  110.70000
   85    91    94    37.50000  110.70000
   90    57    58    35.00000  109.50000
   90    57    63    50.00000  109.50000
   90    85    86    35.00000  109.50000
   91    85    86    37.50000  110.70000
   91    85    90    50.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   87    72    73    35.00000  109.50000
   87    72    85    50.00000  109.50000
   74    69    70    35.00000  109.50000
   74    69    72    50.00000  109.50000
   47    44    45    60.00000  119.52600
   47    51    52    35.00000  109.50000
   47    51    54    63.00000  111.10000
   51    33    37    63.00000  111.10000
   51    47    48    80.00000  120.40000
   51    54    55    50.00000  109.50000
   51    54    59    63.00000  111.10000
   51    54    89    58.35000  112.70000
   54    51    52    37.50000  110.70000
   54    59    60    80.00000  120.40000
   54    59    66    70.00000  116.00000
   54    89    76    58.35000  112.70000
   54    89    95    58.35000  112.70000
   54    89    98    50.00000  109.50000
   59    54    55    90.00000  108.74100
   59    66    67    35.00000  109.50000
   59    66    68    35.00000  109.50000
   59    66    71    63.00000  111.10000
   66    59    60    80.00000  120.40000
   66    71    76    58.35000  112.70000
   66    71    79    58.35000  112.70000
   66    71    83    50.00000  109.50000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    89    58.35000  112.70000
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    82    37.50000  110.70000
   71    83    84    55.00000  108.50000
   76    89    95    58.35000  112.70000
   76    89    98    50.00000  109.50000
   78    76    77    33.00000  107.80000
   89    54    55    50.00000  109.50000
   89    54    59    63.00000  111.10000
   89    76    77    37.50000  110.70000
   89    76    78    37.50000  110.70000
   89    95    96    37.50000  110.70000
   89    95    97    37.50000  110.70000
   89    95    39    58.35000  112.70000
   89    98    99    55.00000  108.50000
   95    39    40    37.50000  110.70000
   95    39    42    50.00000  109.50000
   97    95    96    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    51    58.35000  112.70000
   39    95    96    37.50000  110.70000
   39    95    97    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   98    89    95    50.00000  109.50000
   79    71    76    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    71    76    50.00000  109.50000
   83    71    79    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
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   79    71    76    89  -0.07550 -1.0 2.0
   79    71    76    89   0.20000  1.0 3.0
   79    71    83    84  -0.11600  1.0 1.0
   79    71    83    84  -0.09450 -1.0 2.0
   79    71    83    84   0.21250  1.0 3.0
   83    71    76    77   0.23400  1.0 3.0
   83    71    76    78   0.23400  1.0 3.0
   83    71    76    89   0.86500  1.0 1.0
   83    71    76    89  -0.17500 -1.0 2.0
   83    71    76    89   0.20800  1.0 3.0
   83    71    79    80   0.23400  1.0 3.0
   83    71    79    81   0.23400  1.0 3.0
   83    71    79    82   0.23400  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
   33    41    37    38  10.50000 -1.0 2.0
   44    56    41    37   4.00000 -1.0 2.0
   45    47    44    41   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   53    50    49    45   1.10000 -1.0 2.0
   56    57    53    49   4.00000 -1.0 2.0
   53    61    56    41   4.00000 -1.0 2.0
   44    51    47    48  10.50000 -1.0 2.0
   54    66    59    60  10.50000 -1.0 2.0
END
