* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    165    240     479
    1     0 S   NP   _N1_     1    29.02437    92.68427   -24.00375
    2     1 S   H    _HN1     2     1.02779   108.83279   -86.26081
    3     1 S   H    _H1_     3     1.02959    91.85259    23.81733
    4     1 S   H    _H2_     4     1.02836    16.16512  -175.64113
    5     1 S   CT   _CA1     5     1.50128   122.81982   139.64423
    6     5 S   HC   _HA1     6     1.09570   105.24166    71.33740
    7     5 S   CO3  _C1_     7     1.53802   112.30594   -48.92659
    8     7 S   O2Z  _O11     8     1.26364   115.00302   -44.67045
    9     7 S   O2Z  _O12     9     1.26232   114.91365   134.34568
   10     5 S   CT   _CB1    10     1.53052   107.40958  -170.70682
   11    10 S   HC   HB11    11     1.09829   109.43619   -50.01558
   12    10 S   HC   HB12    12     1.09811   110.35061    66.49900
   13    10 S   CT   _CG1    13     1.53028   112.68415  -171.03608
   14    13 S   HC   HG11    14     1.09590   110.52498   -62.25150
   15    13 S   HC   HG12    15     1.09643   109.98092    57.02179
   16    13 S   C    _CD1    16     1.51797   112.16141   177.45562
   17    16 S   O    _OE1    17     1.22739   123.18256    -0.71955
   18    16 S   N    _N2_    18     1.38638   111.72612   179.27126
   19    18 S   H    _HN2    19     1.01567   119.17979     1.78158
   20    18 S   CT1  _CA2    20     1.46199   123.25921  -178.45858
   21    20 S   HC   _HA2    21     1.09738   109.20640    -2.12734
   22    20 S   C    _C2_    22     1.53467   109.17691  -117.70015
   23    22 S   O    _O2_    23     1.23056   122.09182  -148.78542
   24    20 S   CT   _CB2    32     1.53540   111.55964   119.47259
   25    24 S   HC   HB21    33     1.09527   109.74123    58.07341
   26    24 S   HC   HB22    34     1.09285   109.44419   176.83752
   27    22 S   N    _N3_    24     1.38458   113.62767    38.84535
   28    27 S   H    _HN3    25     1.01493   118.92374    -0.90374
   29    24 S   S    _SG2    35     1.83159   110.87920   -62.87687
   30    27 S   CT   _CA3    26     1.45439   123.51452   174.91388
   31    30 S   HC   HA31    27     1.09516   109.37563    22.67447
   32    30 S   HC   HA32    28     1.09501   107.11904   139.68474
   33    29 S   CT   _C14    36     1.86930   102.52715  -176.97709
   34    33 S   OM   _O35    37     1.32460   108.78116   -58.31741
   35    30 S   CO3  _C3_    29     1.52899   112.89492  -100.88066
   36    35 S   O2Z  _O31    30     1.26419   115.29417   -48.11626
   37    35 S   O2Z  _O32    31     1.26339   115.06176   132.77124
   38    33 S   CM   _C13    38     1.54542   110.48992  -174.04280
   39    38 S   CM   _C12    39     1.35600   121.56940  -144.11157
   40    38 S   CT   _C15    78     1.53522   119.19378    41.76458
   41    40 S   HC   _H13    79     1.09313   109.91391    28.03282
   42    40 S   HC   _H14    80     1.09816   109.64241   141.66997
   43    39 S   CT   _C11    40     1.51450   125.97542     0.82329
   44    39 S   OH   _O36    76     1.39111   119.71119  -176.16396
   45    44 S   HO   _H22    77     0.97349   107.18243   161.38942
   46    40 S   CM   _C16    81     1.50773   112.68856   -98.78819
   47    46 S   HC   _H15    82     1.08988   114.22692   -50.13808
   48    43 S   CO4  _C10    41     1.53125   111.20926    -6.32078
   49    48 S   O    _O34    42     1.23443   121.30544  -149.46835
   50    43 S   CT   _C20    60     1.55089   110.96433   120.23237
   51    50 S   HC   _H23    61     1.09141   109.58057   -47.07010
   52    50 S   HC   _H24    62     1.09872   108.80038    68.59380
   53    43 S   OH   _O37    74     1.43328   106.26575  -122.19104
   54    53 S   HO   _H32    75     0.97288   107.83248   167.73968
   55    46 S   CM   _C17    83     1.34758   128.18343   130.72204
   56    33 S   CT   _C9_    43     1.56139   110.50940    60.73260
   57    56 S   HC   _H3_    44     1.10152   108.67852   -77.03423
   58    50 S   CM   _C21    63     1.50951   114.94191  -172.99705
   59    58 S   HC   _H25    64     1.08925   114.48660   -47.84829
   60    55 S   CT   _C18    84     1.50591   120.31926  -179.52194
   61    60 S   HC   _H16    85     1.09507   110.19116   120.44179
   62    60 S   HC   _H17    86     1.09509   112.46101     0.39565
   63    60 S   HC   _H18    87     1.09494   110.26652  -119.76381
   64    55 S   CT   _C19    88     1.50298   125.57307     0.49099
   65    64 S   HC   _H19    89     1.09524   110.00242   122.80869
   66    64 S   HC   _H20    90     1.09453   109.96721  -118.08808
   67    64 S   HC   _H21    91     1.09135   113.84075     2.68234
   68    56 S   CO4  _C8_    45     1.53694   115.57834    41.78506
   69    68 S   O    _O33    46     1.23066   122.28345    39.24671
   70    58 S   CM   _C22    65     1.34703   128.20903   133.38514
   71    68 S   CT   _C7_    47     1.52469   115.99179  -144.75690
   72    71 S   HC   _H11    48     1.09590   106.68371   -77.01172
   73    71 S   HC   _H12    49     1.09579   108.95632    39.01433
   74    70 S   CT   _C23    66     1.50661   120.23094  -179.63416
   75    74 S   HC   _H26    67     1.09508   110.16976   120.51600
   76    74 S   HC   _H27    68     1.09495   110.27384  -119.67946
   77    74 S   HC   _H28    69     1.09509   112.48172     0.49653
   78    70 S   CT   _C24    70     1.50235   125.75344     1.11083
   79    78 S   HC   _H29    71     1.09532   109.90404   119.55301
   80    78 S   HC   _H30    72     1.09439   110.06534  -121.52171
   81    78 S   HC   _H31    73     1.09101   113.91515    -0.66057
   82    71 S   CT   _C5_    50     1.53582   113.50729   161.14445
   83    82 S   HC   _H7_    51     1.09679   109.65292    49.42115
   84    82 S   CT   _C4_    52     1.53083   111.36554   -70.17752
   85    84 S   HC   _H4_    53     1.09545   111.33225   -58.89792
   86    84 S   HC   _H5_    54     1.09415   111.28509    61.65287
   87    84 S   HC   _H6_    55     1.09526   110.69778  -178.92954
   88    82 S   CT   _C6_    56     1.52960   109.94772   167.87185
   89    88 S   HC   _H8_    57     1.09539   111.30364    60.80567
   90    88 S   HC   _H9_    58     1.09518   110.80422   -59.44799
   91    88 S   HC   _H10    59     1.09515   110.81524  -178.94020
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1  16  16  10   4   3  15   4   1  10   3  12
   5  10   5   4   3   1   8   7   3  10   3   7   3   2   1   3
   2   1   1   8   4   8  12   5   4   7   3   2   1   3   2   1
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    56    57    68    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    48    49    56    57    68    69    71    44    40    41    42    46  
   38    39    48    56    57    68    40  
   36    37  
   37  
    0  
   39    43    48    56    57    68    50    53    44    45    40    41    42    46    47    55  
   43    48    49    56    50    51    52    58    53    54    44    45    40    41    42    46  
   41    42    46    47    55    60    64    43    44    56  
   42    46    47    55  
   46    47    55  
   48    49    56    57    68    50    51    52    58    59    70    53    54    44    45  
   45    48    50    53  
    0  
   47    55    60    61    62    63    64    65    66    67  
   55    60    64  
   49    56    57    68    69    71    50    51    52    58    53    54  
   56    57    68    50    53  
   51    52    58    59    70    74    78    53    54    56  
   52    58    59    70    53  
   58    59    70    53  
   54    56    58  
    0  
   60    61    62    63    64    65    66    67  
   57    68    69    71    72    73    82  
   68    69    71  
   59    70    74    75    76    77    78    79    80    81  
   70    74    78  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    71    72    73    82    83    84    88  
   71    72    73    82  
   74    75    76    77    78    79    80    81  
   72    73    82    83    84    85    86    87    88    89    90    91  
   73    82    83    84    88  
   82    83    84    88  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90    91  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    56   268.000  1.529
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    43   317.000  1.510
   39    44   510.000  1.338
   43    48   317.000  1.522
   43    50   268.000  1.529
   43    53   320.000  1.410
   48    49   570.000  1.229
   48    56   317.000  1.522
   56    57   340.000  1.090
   56    68   317.000  1.522
   68    69   570.000  1.229
   68    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    82   268.000  1.529
   82    83   340.000  1.090
   82    84   268.000  1.529
   82    88   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   317.000  1.510
   58    59   340.000  1.080
   58    70   549.000  1.340
   70    74   317.000  1.510
   70    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   53    54   553.000  0.945
   44    45   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   317.000  1.510
   46    47   340.000  1.080
   46    55   549.000  1.340
   55    60   317.000  1.510
   55    64   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    56    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    56    48    63.00000  111.10000
   33    56    57    37.50000  110.70000
   33    56    68    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    39    43    70.00000  124.00000
   38    39    44    80.00000  121.38400
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    46    70.00000  110.12100
   39    43    48    70.00000  109.06800
   39    43    50    70.00000  112.02700
   39    43    53    90.00000  110.39200
   39    44    45    70.00000  107.45700
   43    48    49    80.00000  120.40000
   43    48    56    70.00000  116.00000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    58    70.00000  112.02700
   43    53    54    55.00000  108.50000
   48    56    57    35.00000  109.50000
   48    56    68    75.00000  107.99600
   56    33    34    50.00000  109.50000
   56    33    38    70.00000  112.02700
   56    48    49    80.00000  120.40000
   56    68    69    80.00000  120.40000
   56    68    71    70.00000  116.00000
   68    56    57    35.00000  109.50000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    82    63.00000  111.10000
   71    68    69    80.00000  120.40000
   71    82    83    37.50000  110.70000
   71    82    84    58.35000  112.70000
   71    82    88    58.35000  112.70000
   73    71    72    33.00000  107.80000
   82    71    72    37.50000  110.70000
   82    71    73    37.50000  110.70000
   82    84    85    37.50000  110.70000
   82    84    86    37.50000  110.70000
   82    84    87    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    91    37.50000  110.70000
   84    82    83    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    82    83    37.50000  110.70000
   88    82    84    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   50    43    48    63.00000  111.10000
   50    58    59    35.00000  117.00000
   50    58    70    70.00000  124.00000
   52    50    51    33.00000  107.80000
   58    50    51    35.00000  109.50000
   58    50    52    35.00000  109.50000
   58    70    74    70.00000  124.00000
   58    70    78    70.00000  124.00000
   70    58    59    35.00000  120.00000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   70    78    79    35.00000  109.50000
   70    78    80    35.00000  109.50000
   70    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    70    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   53    43    48    90.00000  109.61100
   53    43    50    50.00000  109.50000
   44    39    43    90.00000  109.34000
   40    38    39    70.00000  124.00000
   40    46    47    35.00000  117.00000
   40    46    55    70.00000  124.00000
   42    40    41    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    42    35.00000  109.50000
   46    55    60    70.00000  124.00000
   46    55    64    70.00000  124.00000
   55    46    47    35.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    67    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    55    60    65.00000  117.92700
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    56    48   0.56750  1.0 1.0
   29    33    56    48  -0.07550 -1.0 2.0
   29    33    56    48   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    68   0.56750  1.0 1.0
   29    33    56    68  -0.07550 -1.0 2.0
   29    33    56    68   0.20000  1.0 3.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    42   0.34800  1.0 3.0
   33    38    40    46   0.09700  1.0 1.0
   33    38    40    46   0.15600 -1.0 2.0
   33    38    40    46  -0.50800  1.0 3.0
   33    56    68    69   0.30150 -1.0 2.0
   33    56    68    71   0.60050  1.0 1.0
   33    56    68    71   0.05600 -1.0 2.0
   33    56    68    71   0.26150  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    56    48  -0.09450  1.0 1.0
   34    33    56    48  -1.12950 -1.0 2.0
   34    33    56    48   0.54000  1.0 3.0
   34    33    56    57   0.23400  1.0 3.0
   34    33    56    68  -0.09450  1.0 1.0
   34    33    56    68  -1.12950 -1.0 2.0
   34    33    56    68   0.54000  1.0 3.0
   38    33    56    48  -0.98800  1.0 1.0
   38    33    56    48   0.48800 -1.0 2.0
   38    33    56    48   0.76800  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    68  -0.98800  1.0 1.0
   38    33    56    68   0.48800 -1.0 2.0
   38    33    56    68   0.76800  1.0 3.0
   38    39   -43    48  -0.51250  1.0 1.0
   38    39   -43    48  -0.88800 -1.0 2.0
   38    39   -43    48   0.08850  1.0 3.0
   38    39    43    50   0.09850  1.0 1.0
   38    39    43    50   0.15250 -1.0 2.0
   38    39    43    50  -0.50650  1.0 3.0
   38    39    43    53   0.67800  1.0 1.0
   38    39    43    53   0.47050 -1.0 2.0
   38    39    43    53  -0.62500  1.0 3.0
   38    39    44    45  -0.66100  1.0 1.0
   38    39    44    45   1.20850 -1.0 2.0
   38    39    44    45  -0.36000  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40    46    55  -0.28300  1.0 1.0
   38    40    46    55   0.26700 -1.0 2.0
   38    40    46    55  -0.63300  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    46  -0.28300  1.0 1.0
   39    38    40    46   0.26700 -1.0 2.0
   39    38    40    46  -0.63300  1.0 3.0
   39    43    48    49   0.30150 -1.0 2.0
   39    43    48    56   0.65300  1.0 1.0
   39    43    48    56  -0.03850 -1.0 2.0
   39    43    48    56   0.33900  1.0 3.0
   39    43    50    51   0.15000  1.0 3.0
   39    43    50    52   0.15000  1.0 3.0
   39    43    50    58   0.31000  1.0 1.0
   39    43    50    58   0.14700 -1.0 2.0
   39    43    50    58   0.07550  1.0 3.0
   39    43    53    54  -0.07800  1.0 1.0
   39    43    53    54  -0.21500 -1.0 2.0
   39    43    53    54  -0.03150  1.0 3.0
   43    39    44    45   2.00000 -1.0 2.0
   43    48   -56    33   0.60050  1.0 1.0
   43    48   -56    33   0.05600 -1.0 2.0
   43    48   -56    33   0.26150  1.0 3.0
   43    48    56    57   0.00000  1.0 1.0
   43    48    56    68   0.65300  1.0 1.0
   43    48    56    68  -0.03850 -1.0 2.0
   43    48    56    68   0.33900  1.0 3.0
   43    50    58    59   0.00000  1.0 1.0
   43    50    58    70   0.09850  1.0 1.0
   43    50    58    70   0.15250 -1.0 2.0
   43    50    58    70  -0.50650  1.0 3.0
   48    43    50    51  -0.11250  1.0 3.0
   48    43    50    52  -0.11250  1.0 3.0
   48    43    50    58  -0.98800  1.0 1.0
   48    43    50    58   0.48800 -1.0 2.0
   48    43    50    58   0.76800  1.0 3.0
   48    43    53    54   0.91850  1.0 1.0
   48    43    53    54   0.57950  1.0 3.0
   48    56    68    69   0.30150 -1.0 2.0
   48    56    68    71   0.65300  1.0 1.0
   48    56    68    71  -0.03850 -1.0 2.0
   48    56    68    71   0.33900  1.0 3.0
   49    48    56    33   0.30150 -1.0 2.0
   49    48    56    57   0.00000  1.0 1.0
   49    48    56    68   0.30150 -1.0 2.0
   56    33   -38    39   0.09850  1.0 1.0
   56    33   -38    39   0.15250 -1.0 2.0
   56    33   -38    39  -0.50650  1.0 3.0
   56    33    38    40   0.46850  1.0 1.0
   56    33    38    40   0.08550 -1.0 2.0
   56    33    38    40   0.09800  1.0 3.0
   56    68    71    72   0.00000  1.0 1.0
   56    68    71    73   0.00000  1.0 1.0
   56    68    71    82   0.60050  1.0 1.0
   56    68    71    82   0.05600 -1.0 2.0
   56    68    71    82   0.26150  1.0 3.0
   57    56    68    69   0.00000  1.0 1.0
   57    56    68    71   0.00000  1.0 1.0
   68    71    82    83  -0.11250  1.0 3.0
   68    71    82    84  -0.95700  1.0 1.0
   68    71    82    84  -0.18200 -1.0 2.0
   68    71    82    84   0.29450  1.0 3.0
   68    71    82    88  -0.95700  1.0 1.0
   68    71    82    88  -0.18200 -1.0 2.0
   68    71    82    88   0.29450  1.0 3.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    82   0.30150 -1.0 2.0
   71    82    84    85   0.15000  1.0 3.0
   71    82    84    86   0.15000  1.0 3.0
   71    82    84    87   0.15000  1.0 3.0
   71    82    88    89   0.15000  1.0 3.0
   71    82    88    90   0.15000  1.0 3.0
   71    82    88    91   0.15000  1.0 3.0
   72    71    82    83   0.15000  1.0 3.0
   72    71    82    84   0.15000  1.0 3.0
   72    71    82    88   0.15000  1.0 3.0
   73    71    82    83   0.15000  1.0 3.0
   73    71    82    84   0.15000  1.0 3.0
   73    71    82    88   0.15000  1.0 3.0
   83    82    84    85   0.15000  1.0 3.0
   83    82    84    86   0.15000  1.0 3.0
   83    82    84    87   0.15000  1.0 3.0
   83    82    88    89   0.15000  1.0 3.0
   83    82    88    90   0.15000  1.0 3.0
   83    82    88    91   0.15000  1.0 3.0
   84    82    88    89   0.15000  1.0 3.0
   84    82    88    90   0.15000  1.0 3.0
   84    82    88    91   0.15000  1.0 3.0
   88    82    84    85   0.15000  1.0 3.0
   88    82    84    86   0.15000  1.0 3.0
   88    82    84    87   0.15000  1.0 3.0
   50    43    48    49   0.30150 -1.0 2.0
   50    43    48    56   0.60050  1.0 1.0
   50    43    48    56   0.05600 -1.0 2.0
   50    43    48    56   0.26150  1.0 3.0
   50    43    53    54  -0.11600  1.0 1.0
   50    43    53    54  -0.09450 -1.0 2.0
   50    43    53    54   0.21250  1.0 3.0
   50    58    70    74   7.00000 -1.0 2.0
   50    58    70    78   7.00000 -1.0 2.0
   51    50    58    59   0.33100  1.0 3.0
   51    50    58    70   0.00000  1.0 1.0
   52    50    58    59   0.33100  1.0 3.0
   52    50    58    70   0.00000  1.0 1.0
   58    70    74    75   0.00000  1.0 1.0
   58    70    74    76   0.00000  1.0 1.0
   58    70    74    77   0.00000  1.0 1.0
   58    70    78    79   0.00000  1.0 1.0
   58    70    78    80   0.00000  1.0 1.0
   58    70    78    81   0.00000  1.0 1.0
   59    58    70    74   7.00000 -1.0 2.0
   59    58    70    78   7.00000 -1.0 2.0
   74    70    78    79   0.34800  1.0 3.0
   74    70    78    80   0.34800  1.0 3.0
   74    70    78    81   0.34800  1.0 3.0
   78    70    74    75   0.34800  1.0 3.0
   78    70    74    76   0.34800  1.0 3.0
   78    70    74    77   0.34800  1.0 3.0
   53    43    48    49   0.30150 -1.0 2.0
   53    43    48    56   0.55300  1.0 1.0
   53    43    48    56   1.25850 -1.0 2.0
   53    43    48    56  -0.23600  1.0 3.0
   53    43    50    51   0.23400  1.0 3.0
   53    43    50    52   0.23400  1.0 3.0
   53    43    50    58   1.05650  1.0 1.0
   53    43    50    58   0.15600 -1.0 2.0
   53    43    50    58   0.53150  1.0 3.0
   44    39    43    48   0.09700  1.0 1.0
   44    39    43    48   0.15600 -1.0 2.0
   44    39    43    48  -0.50800  1.0 3.0
   44    39    43    50   0.09700  1.0 1.0
   44    39    43    50   0.15600 -1.0 2.0
   44    39    43    50  -0.50800  1.0 3.0
   44    39    43    53   0.09700  1.0 1.0
   44    39    43    53   0.15600 -1.0 2.0
   44    39    43    53  -0.50800  1.0 3.0
   40    38    39    43   7.00000 -1.0 2.0
   40    38    39    44   7.00000 -1.0 2.0
   40    46    55    60   7.00000 -1.0 2.0
   40    46    55    64   7.00000 -1.0 2.0
   41    40    46    47   0.33100  1.0 3.0
   41    40    46    55   0.00000  1.0 1.0
   42    40    46    47   0.33100  1.0 3.0
   42    40    46    55   0.00000  1.0 1.0
   46    55    60    61   0.00000  1.0 1.0
   46    55    60    62   0.00000  1.0 1.0
   46    55    60    63   0.00000  1.0 1.0
   46    55    64    65   0.00000  1.0 1.0
   46    55    64    66   0.00000  1.0 1.0
   46    55    64    67   0.00000  1.0 1.0
   47    46    55    60   7.00000 -1.0 2.0
   47    46    55    64   7.00000 -1.0 2.0
   60    55    64    65   0.34800  1.0 3.0
   60    55    64    66   0.34800  1.0 3.0
   60    55    64    67   0.34800  1.0 3.0
   64    55    60    61   0.34800  1.0 3.0
   64    55    60    62   0.34800  1.0 3.0
   64    55    60    63   0.34800  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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   43    44    39    38   1.10000 -1.0 2.0
   43    56    48    49  10.50000 -1.0 2.0
   56    71    68    69  10.50000 -1.0 2.0
   50    59    58    70  15.00000 -1.0 2.0
   74    78    70    58  15.00000 -1.0 2.0
   40    47    46    55  15.00000 -1.0 2.0
   60    64    55    46  15.00000 -1.0 2.0
END
