* LIGAND DATABASE FILE (OPLS2005)
*
001      86    89    157    249     463
    1     0 S   NP   _N1_     1    28.01092    95.40030   -23.41560
    2     1 S   H    _HN1     2     1.02776   101.99682  -110.17319
    3     1 S   H    _H1_     3     1.02957    84.59521    -2.54099
    4     1 S   H    _H2_     4     1.02835    27.04404   143.89514
    5     1 S   CT   _CA1     5     1.50122   134.62710   110.93859
    6     5 S   HC   _HA1     6     1.09574   105.22924    74.52066
    7     5 S   CO3  _C1_     7     1.53791   112.35921   -45.69761
    8     7 S   O2Z  _O11     8     1.26363   115.00341   -44.26295
    9     7 S   O2Z  _O12     9     1.26235   114.93125   134.88088
   10     5 S   CT   _CB1    10     1.53099   107.42730  -167.56069
   11    10 S   HC   HB11    11     1.09826   109.35535   -50.56913
   12    10 S   HC   HB12    12     1.09817   110.41666    65.98995
   13    10 S   CT   _CG1    13     1.53013   112.66014  -171.64440
   14    13 S   HC   HG11    14     1.09596   110.48031   -63.81483
   15    13 S   HC   HG12    15     1.09654   109.93791    55.38452
   16    13 S   C    _CD1    16     1.51835   112.32442   175.76830
   17    16 S   O    _OE1    17     1.22744   123.29330    -0.59215
   18    16 S   N    _N2_    18     1.38554   111.68191   179.36634
   19    18 S   H    _HN2    19     1.01557   118.99803     4.89281
   20    18 S   CT1  _CA2    20     1.45872   122.93735   178.17823
   21    20 S   HC   _HA2    21     1.09718   109.02442    22.46303
   22    20 S   C    _C2_    22     1.52893   106.82338   -94.72678
   23    22 S   O    _O2_    23     1.22995   122.94833   -28.59581
   24    20 S   CT   _CB2    32     1.53274   112.11829   145.69022
   25    24 S   HC   HB21    33     1.09373   109.60732    55.58537
   26    24 S   HC   HB22    34     1.09455   109.60367   174.09532
   27    22 S   N    _N3_    24     1.38472   112.66587   154.16741
   28    27 S   H    _HN3    25     1.01664   120.39436    -1.42051
   29    24 S   S    _SG2    35     1.82818   110.72474   -66.22326
   30    27 S   CT   _CA3    26     1.45366   122.40805   178.65448
   31    30 S   HC   HA31    27     1.09566   107.62547   -60.52204
   32    30 S   HC   HA32    28     1.09571   107.76713    55.78073
   33    29 S   CT   _C16    36     1.88651   102.43507   167.02367
   34    30 S   CO3  _C3_    29     1.52879   114.40000   177.79345
   35    34 S   O2Z  _O31    30     1.26323   116.08465     2.68146
   36    34 S   O2Z  _O32    31     1.26447   114.40476  -177.32585
   37    33 S   CT   _C15    37     1.54368   107.79183   -72.41382
   38    37 S   HC   _H9_    38     1.09439   112.41193    56.89857
   39    37 S   HC   _H10    39     1.09559   112.07942   -63.26104
   40    33 S   CT   _C17    75     1.59277   111.93967    47.41722
   41    40 S   OM   _O38    76     1.32966   109.63588    65.20982
   42    40 S   HC   _H3_    77     1.09906   105.81538   -62.52751
   43    33 S   OS   _O39    82     1.45021   109.44453   166.96584
   44    37 S   CO4  _C14    40     1.51580   110.80888   176.11814
   45    44 S   O    _O35    41     1.23148   121.17335   127.87026
   46    43 S   CT   _C20    83     1.41866   118.36817    68.86771
   47    46 S   HC   _H12    84     1.09392   107.76482  -168.22639
   48    46 S   HC   _H13    85     1.09290   110.73831    74.62157
   49    46 S   HC   _H14    86     1.09243   112.42303   -49.33684
   50    44 S   CT   _C13    42     1.52869   116.49526   -56.07811
   51    50 S   CO4  _C12    43     1.52414   112.04403   -70.68006
   52    51 S   O    _O34    44     1.22934   121.13479   -24.96957
   53    50 S   OH   _O40    80     1.42672   108.65239   174.68843
   54    53 S   HO   _H15    81     0.97367   107.79780    50.09716
   55    51 S   CA   _C10    45     1.49202   118.91723   157.32218
   56    55 S   CA   _C9_    46     1.39008   119.26202    -5.60455
   57    55 S   CA   _C11    56     1.41407   121.98575   173.59761
   58    56 S   CA   _C8_    47     1.39601   120.12853   178.38299
   59    58 S   HA   _H7_    48     1.09015   119.17906  -179.98022
   60    57 S   OH   _O33    57     1.37541   119.85404     0.51320
   61    60 S   HO   _H8_    58     0.97265   110.11142     1.28937
   62    56 S   CO4  _C19    72     1.47958   121.47944    -1.73506
   63    62 S   O    _O36    73     1.22857   119.58541   159.99265
   64    58 S   CA   _C7_    49     1.40172   121.48839     0.72281
   65    50 S   CT   _C18    74     1.53591   108.99914    54.62091
   66    64 S   CA   _C21    50     1.40185   117.94006   179.86438
   67    66 S   HA   _H16    51     1.08899   119.97122     0.01978
   68    65 S   OH   _O37    78     1.43307   108.06835    68.40015
   69    68 S   HO   _H11    79     0.97468   105.96610  -166.90750
   70    66 S   CA   _C22    52     1.38682   120.84990   179.85196
   71    70 S   CA   _C23    53     1.39046   119.83293     0.12820
   72    70 S   OH   _O43    70     1.36747   120.20039  -179.67434
   73    72 S   HO   _H20    71     0.97239   109.03350    -0.64346
   74    71 S   CA   _C5_    54     1.41413   121.18435     0.56441
   75    71 S   CO4  _C24    63     1.46986   117.41912   179.85196
   76    75 S   O    _O41    64     1.21810   123.93688   -85.70179
   77    64 S   CA   _C6_    55     1.42224   120.88527    -0.01978
   78    74 S   CT   _C4_    59     1.51274   119.25976   178.88724
   79    78 S   HC   _H4_    60     1.09474   110.22375  -121.22183
   80    78 S   HC   _H5_    61     1.09310   113.49893    -2.76031
   81    78 S   HC   _H6_    62     1.09462   110.18691   116.45984
   82    75 S   OS   _O42    65     1.35587   107.32960    94.29777
   83    82 S   CT   _C25    66     1.42985   114.78736  -179.90721
   84    83 S   HC   _H17    67     1.09328   108.13073   179.89165
   85    83 S   HC   _H18    68     1.09431   110.30765    61.16306
   86    83 S   HC   _H19    69     1.09431   110.28232   -61.40376
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  13   6   5  14   6   5   6  10   4   3   2   1
   1  12  12   5   5   1  12  11  10  10   4   4   1   5   2   8
   2   8   4   1   1   9  12   3   1   8   8   2   4   3   2   1
   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    65    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    62    65    40    41    42    68    43    46    47    48    49  
   35    36  
   36  
    0  
   38    39    44    45    50    51    65    40    41    42    53    43    46  
   39    44    45    50    40    43  
   44    45    50    40    43  
   41    42    68    69    53    43    46    44    50    51    56    62    63    65  
   42    68    43    50    62    65  
   68    43    50    62    65  
   46    47    48    49    44    65  
   45    50    51    52    55    62    65    68    53    54  
   50    51    65    53  
   47    48    49  
   48    49  
   49  
    0  
   51    52    55    56    57    62    63    65    68    69    53    54  
   52    55    56    58    77    57    60    62    65    68    53    54  
   55    56    57    65    53  
   54    55    62    65    68  
   65  
   56    58    59    64    74    77    57    60    61    62    63    65  
   58    59    64    66    77    57    60    62    63    65    68  
   60    61    78    62    58    64    66    71    74    77  
   59    64    66    67    70    74    77    62    63    65  
   64    66    77    62  
   61    64    74    77  
   77  
   63    65    68    69    64  
   65    68  
   66    67    70    71    74    77    78    72  
   68    69  
   67    70    71    74    77    75    72    73  
   70    71    77    72  
   69  
    0  
   71    74    77    78    75    76    82    72    73  
   74    77    78    79    80    81    75    76    82    83    72    73  
   73    74    75  
    0  
   77    78    79    80    81    75    76    82  
   76    82    83    84    85    86    77    78  
   82    83  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.316400   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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660  -0.065000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   83   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   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    40   268.000  1.529
   33    43   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   317.000  1.522
   50    65   268.000  1.529
   50    53   320.000  1.410
   51    52   570.000  1.229
   51    55   310.000  1.470
   55    56   469.000  1.400
   55    57   469.000  1.400
   56    58   469.000  1.400
   56    62   310.000  1.470
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    66   469.000  1.400
   64    77   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   469.000  1.400
   70    72   450.000  1.364
   71    74   469.000  1.400
   71    75   310.000  1.470
   74    77   469.000  1.400
   74    78   317.000  1.510
   77    57   469.000  1.400
   57    60   450.000  1.364
   60    61   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   75    76   570.000  1.229
   75    82   214.000  1.327
   82    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   72    73   553.000  0.945
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    40   268.000  1.529
   65    68   320.000  1.410
   40    41   570.000  1.307
   40    42   340.000  1.090
   68    69   553.000  0.945
   53    54   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    40    65    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    46    60.00000  109.50000
   37    44    45    80.00000  120.40000
   37    44    50    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    50    51    75.00000  107.99600
   44    50    65    63.00000  111.10000
   44    50    53    90.00000  109.61100
   50    44    45    80.00000  120.40000
   50    51    52    80.00000  120.40000
   50    51    55    65.00000  115.47100
   50    65    62    63.00000  111.10000
   50    65    40    58.35000  112.70000
   50    65    68    50.00000  109.50000
   50    53    54    55.00000  108.50000
   51    55    56    60.00000  119.52600
   51    55    57    60.00000  119.52600
   55    51    52    75.00000  123.78400
   55    56    58    63.00000  120.00000
   55    56    62    60.00000  119.52600
   55    57    77    63.00000  120.00000
   55    57    60    70.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    64    63.00000  120.00000
   56    62    63    75.00000  123.78400
   56    62    65    65.00000  115.47100
   58    64    66    63.00000  120.00000
   58    64    77    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    70    63.00000  120.00000
   64    77    74    63.00000  120.00000
   64    77    57    63.00000  120.00000
   66    70    71    63.00000  120.00000
   66    70    72    70.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    71    75    60.00000  119.52600
   70    72    73    35.00000  113.00000
   71    74    77    63.00000  120.00000
   71    74    78    70.00000  120.00000
   71    75    76    75.00000  123.78400
   71    75    82    81.00000  111.40000
   74    77    57    63.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    64    66    63.00000  120.00000
   77    57    60    70.00000  120.00000
   57    55    56    63.00000  120.00000
   57    60    61    35.00000  113.00000
   78    74    77    70.00000  120.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   75    71    74    60.00000  119.52600
   75    82    83    83.00000  116.90000
   82    75    76    83.00000  123.40000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   72    70    71    70.00000  120.00000
   62    56    58    60.00000  119.52600
   62    65    40    63.00000  111.10000
   62    65    68    90.00000  109.61100
   65    50    51    63.00000  111.10000
   65    62    63    80.00000  120.40000
   65    40    41    50.00000  109.50000
   65    40    42    37.50000  110.70000
   65    68    69    55.00000  108.50000
   40    33    37    58.35000  112.70000
   42    40    41    45.00000  125.66300
   68    65    40    50.00000  109.50000
   53    50    51    90.00000  109.61100
   53    50    65    50.00000  109.50000
   43    33    37    50.00000  109.50000
   43    33    40    50.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    46   0.14700  1.0 1.0
   29    33    43    46  -1.16150 -1.0 2.0
   29    33    43    46   0.48700  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    50   0.60050  1.0 1.0
   33    37    44    50   0.05600 -1.0 2.0
   33    37    44    50   0.26150  1.0 3.0
   33    43    46    47   0.37050  1.0 3.0
   33    43    46    48   0.37050  1.0 3.0
   33    43    46    49   0.37050  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    46   0.06250  1.0 1.0
   37    33    43    46  -0.01100 -1.0 2.0
   37    33    43    46   0.28050  1.0 3.0
   37    44    50    51   0.65300  1.0 1.0
   37    44    50    51  -0.03850 -1.0 2.0
   37    44    50    51   0.33900  1.0 3.0
   37    44   -50    65   0.60050  1.0 1.0
   37    44   -50    65   0.05600 -1.0 2.0
   37    44   -50    65   0.26150  1.0 3.0
   37    44    50    53   0.55300  1.0 1.0
   37    44    50    53   1.25850 -1.0 2.0
   37    44    50    53  -0.23600  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    50   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    50   0.00000  1.0 1.0
   44    50    51    52   0.30150 -1.0 2.0
   44    50    51    55   0.65300  1.0 1.0
   44    50    51    55  -0.03850 -1.0 2.0
   44    50    51    55   0.33900  1.0 3.0
   44    50    65    62   0.11950  1.0 1.0
   44    50    65    62   0.20300 -1.0 2.0
   44    50    65    62  -0.70800  1.0 3.0
   44    50    65    40  -0.95700  1.0 1.0
   44    50    65    40  -0.18200 -1.0 2.0
   44    50    65    40   0.29450  1.0 3.0
   44    50    65    68  -0.09450  1.0 1.0
   44    50    65    68  -1.12950 -1.0 2.0
   44    50    65    68   0.54000  1.0 3.0
   44    50    53    54   0.91850  1.0 1.0
   44    50    53    54   0.57950  1.0 3.0
   45    44    50    51   0.30150 -1.0 2.0
   45    44    50    65   0.30150 -1.0 2.0
   45    44    50    53   0.30150 -1.0 2.0
   50    51    55    56   2.26350  1.0 1.0
   50    51    55    56   0.76750 -1.0 2.0
   50    51    55    56   0.22500  1.0 3.0
   50    51    55    57   2.26350  1.0 1.0
   50    51    55    57   0.76750 -1.0 2.0
   50    51    55    57   0.22500  1.0 3.0
   50    65   -40    33   0.56750  1.0 1.0
   50    65   -40    33  -0.07550 -1.0 2.0
   50    65   -40    33   0.20000  1.0 3.0
   50    65    40    41   0.62750  1.0 1.0
   50    65    40    41  -0.30950 -1.0 2.0
   50    65    40    41   0.27300  1.0 3.0
   50    65    40    42   0.15000  1.0 3.0
   50    65    68    69  -0.11600  1.0 1.0
   50    65    68    69  -0.09450 -1.0 2.0
   50    65    68    69   0.21250  1.0 3.0
   51    50    65    62   0.11950  1.0 1.0
   51    50    65    62   0.20300 -1.0 2.0
   51    50    65    62  -0.70800  1.0 3.0
   51    50    65    40  -0.95700  1.0 1.0
   51    50    65    40  -0.18200 -1.0 2.0
   51    50    65    40   0.29450  1.0 3.0
   51    50    65    68  -0.09450  1.0 1.0
   51    50    65    68  -1.12950 -1.0 2.0
   51    50    65    68   0.54000  1.0 3.0
   51    50    53    54   0.91850  1.0 1.0
   51    50    53    54   0.57950  1.0 3.0
   51    55    56    58   3.62500 -1.0 2.0
   51    55   -56    62   3.62500 -1.0 2.0
   51    55    57    77   3.62500 -1.0 2.0
   51    55    57    60   3.62500 -1.0 2.0
   52    51    55    56   1.05000 -1.0 2.0
   52    51    55    57   1.05000 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    64   3.62500 -1.0 2.0
   55    56    62    63   1.05000 -1.0 2.0
   55    56    62    65   2.26350  1.0 1.0
   55    56    62    65   0.76750 -1.0 2.0
   55    56    62    65   0.22500  1.0 3.0
   55    57    60    61   0.84100 -1.0 2.0
   56    55    57    77   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   56    58    64    66   3.62500 -1.0 2.0
   56    58   -64    77   3.62500 -1.0 2.0
   56    62   -65    50   0.05850 -1.0 2.0
   56    62   -65    50   0.17250  1.0 3.0
   56    62    65    40   0.05850 -1.0 2.0
   56    62    65    40   0.17250  1.0 3.0
   56    62    65    68   0.65300  1.0 1.0
   56    62    65    68  -0.03850 -1.0 2.0
   56    62    65    68   0.33900  1.0 3.0
   58    56    62    63   1.05000 -1.0 2.0
   58    56    62    65   2.26350  1.0 1.0
   58    56    62    65   0.76750 -1.0 2.0
   58    56    62    65   0.22500  1.0 3.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    70   3.62500 -1.0 2.0
   58    64    77    74   3.62500 -1.0 2.0
   58    64    77    57   3.62500 -1.0 2.0
   59    58    64    66   3.62500 -1.0 2.0
   59    58    64    77   3.62500 -1.0 2.0
   64    66    70    71   3.62500 -1.0 2.0
   64    66    70    72   3.62500 -1.0 2.0
   64    77   -57    55   3.62500 -1.0 2.0
   64    77    57    60   3.62500 -1.0 2.0
   66    64    77    74   3.62500 -1.0 2.0
   66    64    77    57   3.62500 -1.0 2.0
   66    70   -71    74   3.62500 -1.0 2.0
   66    70    71    75   3.62500 -1.0 2.0
   66    70    72    73   0.84100 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    72   3.62500 -1.0 2.0
   70    71    74    77   3.62500 -1.0 2.0
   70    71    74    78   3.62500 -1.0 2.0
   70    71    75    76   1.05000 -1.0 2.0
   70    71    75    82   0.98750 -1.0 2.0
   71    70    72    73   0.84100 -1.0 2.0
   71    74   -77    64   3.62500 -1.0 2.0
   71    74    77    57   3.62500 -1.0 2.0
   71    74    78    79   0.00000  1.0 1.0
   71    74    78    80   0.00000  1.0 1.0
   71    74    78    81   0.00000  1.0 1.0
   71    75    82    83   0.59950  1.0 1.0
   71    75    82    83   3.24850 -1.0 2.0
   74    71    75    76   1.05000 -1.0 2.0
   74    71    75    82   0.98750 -1.0 2.0
   74    77    57    55   3.62500 -1.0 2.0
   74    77    57    60   3.62500 -1.0 2.0
   77    64    66    67   3.62500 -1.0 2.0
   77    64   -66    70   3.62500 -1.0 2.0
   77    74    78    79   0.00000  1.0 1.0
   77    74    78    80   0.00000  1.0 1.0
   77    74    78    81   0.00000  1.0 1.0
   77    57    60    61   0.84100 -1.0 2.0
   57    55   -56    58   3.62500 -1.0 2.0
   57    55    56    62   3.62500 -1.0 2.0
   78    74    77    64   3.62500 -1.0 2.0
   78    74    77    57   3.62500 -1.0 2.0
   75    71    74    77   3.62500 -1.0 2.0
   75    71    74    78   3.62500 -1.0 2.0
   75    82    83    84   0.08050  1.0 3.0
   75    82    83    85   0.08050  1.0 3.0
   75    82    83    86   0.08050  1.0 3.0
   76    75    82    83   3.00000 -1.0 2.0
   72    70    71    74   3.62500 -1.0 2.0
   72    70    71    75   3.62500 -1.0 2.0
   62    56    58    59   3.62500 -1.0 2.0
   62    56    58    64   3.62500 -1.0 2.0
   62    65    40    33  -0.95700  1.0 1.0
   62    65    40    33  -0.18200 -1.0 2.0
   62    65    40    33   0.29450  1.0 3.0
   62    65    40    41  -0.09450  1.0 1.0
   62    65    40    41  -1.12950 -1.0 2.0
   62    65    40    41   0.54000  1.0 3.0
   62    65    40    42  -0.11250  1.0 3.0
   62    65    68    69   0.91850  1.0 1.0
   62    65    68    69   0.57950  1.0 3.0
   63    62    65    50   0.30150 -1.0 2.0
   63    62    65    40   0.30150 -1.0 2.0
   63    62    65    68   0.30150 -1.0 2.0
   65    50    51    52   0.30150 -1.0 2.0
   65    50   -51    55   0.05850 -1.0 2.0
   65    50   -51    55   0.17250  1.0 3.0
   65    50    53    54  -0.11600  1.0 1.0
   65    50    53    54  -0.09450 -1.0 2.0
   65    50    53    54   0.21250  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    44  -0.95700  1.0 1.0
   40    33   -37    44  -0.18200 -1.0 2.0
   40    33   -37    44   0.29450  1.0 3.0
   40    33    43    46   0.06250  1.0 1.0
   40    33    43    46  -0.01100 -1.0 2.0
   40    33    43    46   0.28050  1.0 3.0
   40    65    68    69  -0.11600  1.0 1.0
   40    65    68    69  -0.09450 -1.0 2.0
   40    65    68    69   0.21250  1.0 3.0
   68    65    40    33   0.86500  1.0 1.0
   68    65    40    33  -0.17500 -1.0 2.0
   68    65    40    33   0.20800  1.0 3.0
   68    65    40    41   3.69350  1.0 1.0
   68    65    40    41  -1.82950 -1.0 2.0
   68    65    40    42   0.23400  1.0 3.0
   53    50    51    52   0.30150 -1.0 2.0
   53    50    51    55   0.65300  1.0 1.0
   53    50    51    55  -0.03850 -1.0 2.0
   53    50    51    55   0.33900  1.0 3.0
   53    50    65    62  -0.09450  1.0 1.0
   53    50    65    62  -1.12950 -1.0 2.0
   53    50    65    62   0.54000  1.0 3.0
   53    50    65    40   0.86500  1.0 1.0
   53    50    65    40  -0.17500 -1.0 2.0
   53    50    65    40   0.20800  1.0 3.0
   53    50    65    68   3.75450  1.0 1.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    44  -0.09450  1.0 1.0
   43    33    37    44  -1.12950 -1.0 2.0
   43    33    37    44   0.54000  1.0 3.0
   43    33    40    65   0.62750  1.0 1.0
   43    33    40    65  -0.30950 -1.0 2.0
   43    33    40    65   0.27300  1.0 3.0
   43    33    40    41   1.11900  1.0 1.0
   43    33    40    41  -1.16350 -1.0 2.0
   43    33    40    41  -0.34150  1.0 3.0
   43    33    40    42   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
   37    50    44    45  10.50000 -1.0 2.0
   50    55    51    52  10.50000 -1.0 2.0
   56    57    55    51   4.00000 -1.0 2.0
   58    62    56    55   4.00000 -1.0 2.0
   64    59    58    56   1.10000 -1.0 2.0
   66    77    64    58   4.00000 -1.0 2.0
   70    67    66    64   1.10000 -1.0 2.0
   71    72    70    66   4.00000 -1.0 2.0
   74    75    71    70   4.00000 -1.0 2.0
   77    78    74    71   4.00000 -1.0 2.0
   74    57    77    64   4.00000 -1.0 2.0
   77    60    57    55   4.00000 -1.0 2.0
   71    82    75    76  10.50000 -1.0 2.0
   56    65    62    63  10.50000 -1.0 2.0
END
