* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    159    243     469
    1     0 S   NP   _N1_     1    28.07736    96.48068   -23.24104
    2     1 S   H    _HN1     2     1.02832    30.58469   134.91193
    3     1 S   H    _H1_     3     1.02775   103.52609  -122.71988
    4     1 S   H    _H2_     4     1.02954    80.33158   -16.03314
    5     1 S   CT   _CA1     5     1.50136   135.96114    93.36979
    6     5 S   HC   _HA1     6     1.09581   105.20199    80.37805
    7     5 S   CO3  _C1_     7     1.53784   112.26998   -39.73537
    8     7 S   O2Z  _O11     8     1.26370   114.99222   -46.09601
    9     7 S   O2Z  _O12     9     1.26234   114.92736   132.83185
   10     5 S   CT   _CB1    10     1.53089   107.39107  -161.81827
   11    10 S   HC   HB11    11     1.09826   109.30259   -50.95194
   12    10 S   HC   HB12    12     1.09811   110.48742    65.61981
   13    10 S   CT   _CG1    13     1.52975   112.60206  -172.00787
   14    13 S   HC   HG11    14     1.09591   110.44262   -65.19421
   15    13 S   HC   HG12    15     1.09661   109.88802    53.97846
   16    13 S   C    _CD1    16     1.51841   112.34665   174.34348
   17    16 S   O    _OE1    17     1.22757   123.34560     1.77740
   18    16 S   N    _N2_    18     1.38512   111.72269  -178.11924
   19    18 S   H    _HN2    19     1.01729   118.91553     2.01693
   20    18 S   CT1  _CA2    20     1.45749   122.93060   178.12581
   21    20 S   HC   _HA2    21     1.09731   108.70992    29.03838
   22    20 S   C    _C2_    22     1.52975   107.15650   -88.18602
   23    22 S   O    _O2_    23     1.22971   123.12161   -26.11805
   24    20 S   CT   _CB2    32     1.53387   112.47321   152.19796
   25    24 S   HC   HB21    33     1.09450   109.37463    57.32393
   26    24 S   HC   HB22    34     1.09347   109.74520   175.90662
   27    22 S   N    _N3_    24     1.38502   112.45458   156.75734
   28    27 S   H    _HN3    25     1.01646   120.33494    -2.53636
   29    24 S   S    _SG2    35     1.82587   111.08902   -62.98527
   30    27 S   CT   _CA3    26     1.45343   122.55774   178.28753
   31    30 S   HC   HA31    27     1.09564   107.93716   -53.57256
   32    30 S   HC   HA32    28     1.09559   107.51818    62.80132
   33    29 S   CT   _C22    36     1.87614   102.41378  -170.61548
   34    30 S   CO3  _C3_    29     1.52901   114.24313  -175.47901
   35    34 S   O2Z  _O31    30     1.26349   116.04354     2.13552
   36    34 S   O2Z  _O32    31     1.26430   114.42525  -177.92293
   37    33 S   CT   _C23    37     1.54542   103.94604  -170.06421
   38    37 S   HC   _H20    38     1.09634   111.97808    66.12914
   39    37 S   HC   _H21    39     1.09685   112.24387   -55.00432
   40    37 S   HC   _H22    40     1.09571   111.15106  -173.87596
   41    33 S   CT   _C24    41     1.54740   109.46757    72.65600
   42    41 S   HC   _H23    42     1.09545   110.47368   176.82313
   43    41 S   HC   _H24    43     1.09470   111.71248   -63.73816
   44    33 S   CT   _C14    46     1.56408   111.20548   -49.71360
   45    44 S   HC   _H5_    47     1.09719   108.50312    64.62644
   46    41 S   OH   _O37    44     1.42381   111.86415    58.03966
   47    46 S   HO   _H25    45     0.97245   107.10383  -179.05955
   48    44 S   CM   _C15    48     1.51224   113.89780  -173.89497
   49    48 S   HC   _H14    49     1.08767   116.71382    64.91695
   50    44 S   OS   _O34    63     1.44723   109.08546   -54.83368
   51    48 S   CM   _C16    50     1.34220   123.76814  -116.72697
   52    51 S   HC   _H15    51     1.08537   118.95638     0.75147
   53    50 S   CO4  _C13    64     1.36530   117.64312   147.31866
   54    53 S   O    _O33    65     1.22453   125.98861     1.47180
   55    51 S   CM   _C17    52     1.44660   122.69536  -178.94928
   56    55 S   HC   _H16    53     1.08946   115.76431     0.01978
   57    53 S   CT1  _C12    66     1.52204   109.37105  -179.63363
   58    57 S   HC   _H4_    67     1.09682   109.27182    20.97107
   59    55 S   CM   _C18    54     1.34280   127.48696   179.93439
   60    59 S   HC   _H17    55     1.08948   116.79748  -179.93439
   61    57 S   CT   _C5_    68     1.54479   110.88879  -102.48523
   62    61 S   HC   _H3_    69     1.09953   108.07916   -60.71696
   63    57 S   N    _N4_    85     1.46075   104.78962   136.36443
   64    63 S   H    _H26    86     1.01578   118.03716    85.71555
   65    59 S   CM   _C19    56     1.44797   127.53320     0.11364
   66    65 S   HC   _H18    57     1.08512   117.82091    -0.01978
   67    61 S   CA   _C6_    70     1.52256   112.16024    58.33219
   68    61 S   CT   _C4_    81     1.53547   111.53545  -177.53900
   69    68 S   HC   _H6_    82     1.09551   111.82255   -57.63397
   70    68 S   HC   _H7_    83     1.09599   110.93280  -177.93020
   71    68 S   HC   _H8_    84     1.09504   111.06026    62.66558
   72    63 S   C    _C25    87     1.38316   122.53497   -87.28187
   73    72 S   O    _O38    88     1.22800   125.22544    -0.30132
   74    65 S   CM   _C20    58     1.34097   122.58621   179.94766
   75    74 S   HC   _H19    59     1.08923   119.92196     0.08847
   76    67 S   CA   _C7_    71     1.40364   121.68518    61.83203
   77    76 S   HA   _H9_    72     1.08711   120.59461     0.68643
   78    72 S   CT   _C26    89     1.50416   112.90916   177.75633
   79    78 S   HC   _H27    90     1.09369   110.94157    35.70043
   80    78 S   HC   _H28    91     1.09360   109.43975   155.34234
   81    78 S   HC   _H29    92     1.09328   109.16848   -84.92248
   82    74 S   CO3  _C21    60     1.53498   121.88135  -179.93439
   83    82 S   O2Z  _O36    61     1.26260   116.94984     0.84627
   84    82 S   O2Z  _O35    62     1.26611   113.89138  -179.21890
   85    76 S   CA   _C8_    73     1.39613   120.63608  -178.88075
   86    85 S   HA   _H10    74     1.08632   119.90467   179.79442
   87    85 S   CA   _C9_    75     1.39296   120.11869    -0.11191
   88    87 S   HA   _H11    76     1.08607   120.05175   179.94405
   89    87 S   CA   _C10    77     1.39280   119.89589     0.00000
   90    89 S   HA   _H12    78     1.08630   120.00632   179.82086
   91    67 S   CA   _C11    79     1.40365   119.72068  -117.14743
   92    91 S   HA   _H13    80     1.08742   120.49816    -0.60296
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  16   2   1   1  11   4   3   2   8   4   3  11   5   1   1   8
   4   7   6   3  10   4   6   3  15   7   6   3  15   8   9   3
   6   3  13   5   2   1   1   5   4   4   3   8   4   3   2   1
   1   2   1   1   6   3   5   3   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    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    46    44    45    48    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    46    47    44    45    48    49    51    50    53  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    48    50  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    46    47    44    45    48    50  
   43    46    47    44  
   46    47    44  
   45    48    49    51    52    55    50    53    54    57    46  
   48    49    51    50    53  
   47  
    0  
   49    51    52    55    56    59    50    53  
   51    52    55    50  
   53    54    57    58    61    63    51  
   52    55    56    59    60    65  
   55    56    59  
   54    57    58    61    62    67    68    63    64    72  
   57    58    61    63  
   56    59    60    65    66    74  
   59    60    65  
   58    61    62    67    76    91    68    69    70    71    63    64    72    73    78  
   61    62    67    68    63    64    72  
   60    65    66    74    75    82  
   65    66    74  
   62    67    76    77    85    89    91    92    68    69    70    71    63    64    72  
   67    76    91    68    69    70    71    63  
   64    72    73    78    79    80    81    67    68  
   72    73    78  
   66    74    75    82    83    84  
   74    75    82  
   76    77    85    86    87    89    90    91    92    68    69    70    71  
   69    70    71    76    91  
   70    71  
   71  
    0  
   73    78    79    80    81  
   78    79    80    81  
   75    82    83    84  
   82    83    84  
   77    85    86    87    88    89    91    92  
   85    86    87    91  
   79    80    81  
   80    81  
   81  
    0  
   83    84  
   84  
    0  
   86    87    88    89    90    91  
   87    88    89  
   88    89    90    91    92  
   89    90    91  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   74   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    47   553.000  0.945
   44    45   340.000  1.090
   44    48   317.000  1.510
   44    50   320.000  1.410
   48    49   340.000  1.080
   48    51   549.000  1.340
   51    52   340.000  1.080
   51    55   380.000  1.444
   55    56   340.000  1.080
   55    59   549.000  1.340
   59    60   340.000  1.080
   59    65   380.000  1.444
   65    66   340.000  1.080
   65    74   549.000  1.340
   74    75   340.000  1.080
   74    82   230.000  1.545
   82    83   656.000  1.250
   82    84   656.000  1.250
   50    53   214.000  1.327
   53    54   570.000  1.229
   53    57   255.000  1.522
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    63   337.000  1.449
   61    62   340.000  1.090
   61    67   317.000  1.510
   61    68   268.000  1.529
   67    76   469.000  1.400
   67    91   469.000  1.400
   76    77   367.000  1.080
   76    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    90   367.000  1.080
   89    91   469.000  1.400
   91    92   367.000  1.080
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   63    64   434.000  1.010
   63    72   490.000  1.335
   72    73   570.000  1.229
   72    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    50.00000  109.50000
   33    44    45    37.50000  110.70000
   33    44    48    70.00000  112.02700
   33    44    50    50.00000  109.50000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    46    47    55.00000  108.50000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    48    49    35.00000  117.00000
   44    48    51    70.00000  124.00000
   44    50    53    83.00000  116.90000
   48    44    45    35.00000  109.50000
   48    51    52    35.00000  120.00000
   48    51    55    70.00000  123.01800
   51    48    49    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    59    70.00000  123.01800
   55    51    52    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    65    70.00000  123.01800
   59    55    56    35.00000  120.00000
   59    65    66    35.00000  120.00000
   59    65    74    70.00000  123.01800
   65    59    60    35.00000  120.00000
   65    74    75    35.00000  120.00000
   65    74    82    55.00000  124.75400
   74    65    66    35.00000  120.00000
   74    82    83    85.00000  113.83300
   74    82    84    85.00000  113.83300
   82    74    75    40.00000  118.53000
   84    82    83    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    85.00000  110.90400
   50    53    54    83.00000  123.40000
   50    53    57    90.00000  109.72300
   53    57    58    45.00000  110.09800
   53    57    61    70.00000  110.61500
   53    57    63    80.00000  110.29000
   57    53    54    75.00000  123.42600
   57    61    62    37.50000  110.70000
   57    61    67    63.00000  114.00000
   57    61    68    58.35000  112.70000
   57    63    64    38.00000  118.40000
   57    63    72    50.00000  121.90000
   61    57    58    37.50000  110.70000
   61    67    76    70.00000  120.00000
   61    67    91    70.00000  120.00000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   67    61    62    35.00000  109.50000
   67    76    77    35.00000  120.00000
   67    76    85    63.00000  120.00000
   67    91    89    63.00000  120.00000
   67    91    92    35.00000  120.00000
   76    85    86    35.00000  120.00000
   76    85    87    63.00000  120.00000
   85    76    77    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    89    63.00000  120.00000
   87    85    86    35.00000  120.00000
   87    89    90    35.00000  120.00000
   87    89    91    63.00000  120.00000
   89    87    88    35.00000  120.00000
   89    91    92    35.00000  120.00000
   91    67    76    63.00000  120.00000
   91    89    90    35.00000  120.00000
   68    61    62    37.50000  110.70000
   68    61    67    70.00000  112.17500
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    61    80.00000  109.70000
   63    72    73    80.00000  122.90000
   63    72    78    70.00000  116.60000
   72    63    64    35.00000  119.80000
   72    78    79    35.00000  109.50000
   72    78    80    35.00000  109.50000
   72    78    81    35.00000  109.50000
   78    72    73    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    48   0.56750  1.0 1.0
   29    33    44    48  -0.07550 -1.0 2.0
   29    33    44    48   0.20000  1.0 3.0
   29    33    44    50   0.56750  1.0 1.0
   29    33    44    50  -0.07550 -1.0 2.0
   29    33    44    50   0.20000  1.0 3.0
   33    41    46    47  -0.11600  1.0 1.0
   33    41    46    47  -0.09450 -1.0 2.0
   33    41    46    47   0.21250  1.0 3.0
   33    44    48    49   0.00000  1.0 1.0
   33    44    48    51   0.09850  1.0 1.0
   33    44    48    51   0.15250 -1.0 2.0
   33    44    48    51  -0.50650  1.0 3.0
   33    44    50    53  -0.25900  1.0 1.0
   33    44    50    53  -0.47000 -1.0 2.0
   33    44    50    53   0.11750  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    46   0.86500  1.0 1.0
   37    33    41    46  -0.17500 -1.0 2.0
   37    33    41    46   0.20800  1.0 3.0
   37    33    44    45   0.15000  1.0 3.0
   37    33    44    48   0.34400  1.0 1.0
   37    33    44    48   0.09450 -1.0 2.0
   37    33    44    48   0.11100  1.0 3.0
   37    33    44    50   0.62750  1.0 1.0
   37    33    44    50  -0.30950 -1.0 2.0
   37    33    44    50   0.27300  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    44    45   0.15000  1.0 3.0
   41    33    44    48   0.34400  1.0 1.0
   41    33    44    48   0.09450 -1.0 2.0
   41    33    44    48   0.11100  1.0 3.0
   41    33    44    50   0.62750  1.0 1.0
   41    33    44    50  -0.30950 -1.0 2.0
   41    33    44    50   0.27300  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47   0.19450  1.0 3.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    46   0.86500  1.0 1.0
   44    33    41    46  -0.17500 -1.0 2.0
   44    33    41    46   0.20800  1.0 3.0
   44    48    51    52   7.00000 -1.0 2.0
   44    48    51    55   7.00000 -1.0 2.0
   44    50    53    54   3.00000 -1.0 2.0
   44    50    53    57   1.63150  1.0 1.0
   44    50    53    57   2.92000 -1.0 2.0
   45    44    48    49   0.33100  1.0 3.0
   45    44    48    51   0.00000  1.0 1.0
   45    44    50    53   0.08050  1.0 3.0
   48    44    50    53  -0.82050  1.0 1.0
   48    44    50    53   0.00600 -1.0 2.0
   48    44    50    53   0.04400  1.0 3.0
   48    51    55    56  -0.18600  1.0 3.0
   48    51    55    59   0.28850  1.0 1.0
   48    51    55    59   2.61350 -1.0 2.0
   48    51    55    59   0.78400  1.0 3.0
   49    48    51    52   7.00000 -1.0 2.0
   49    48    51    55   7.00000 -1.0 2.0
   51    55    59    60   7.00000 -1.0 2.0
   51    55    59    65   7.00000 -1.0 2.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    59  -0.18600  1.0 3.0
   55    59    65    66  -0.18600  1.0 3.0
   55    59    65    74   0.28850  1.0 1.0
   55    59    65    74   2.61350 -1.0 2.0
   55    59    65    74   0.78400  1.0 3.0
   56    55    59    60   7.00000 -1.0 2.0
   56    55    59    65   7.00000 -1.0 2.0
   59    65    74    75   7.00000 -1.0 2.0
   59    65    74    82   7.00000 -1.0 2.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    74  -0.18600  1.0 3.0
   65    74    82    83  -0.04000 -1.0 2.0
   65    74    82    83  -0.29050  1.0 3.0
   65    74    82    84  -0.04000 -1.0 2.0
   65    74    82    84  -0.29050  1.0 3.0
   66    65    74    75   7.00000 -1.0 2.0
   66    65    74    82   7.00000 -1.0 2.0
   75    74    82    83   0.00000  1.0 1.0
   75    74    82    84   0.00000  1.0 1.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    51   0.39000  1.0 1.0
   50    44    48    51  -0.05800 -1.0 2.0
   50    44    48    51  -0.55150  1.0 3.0
   50    53    57    58   0.00000  1.0 1.0
   50    53    57    61   0.36750  1.0 3.0
   50    53    57    63   0.40000  1.0 3.0
   53    57    61    62  -0.03800  1.0 3.0
   53    57    61    67  -0.84850  1.0 1.0
   53    57    61    67  -0.22800 -1.0 2.0
   53    57    61    67   0.29250  1.0 3.0
   53    57    61    68  -0.84850  1.0 1.0
   53    57    61    68  -0.22800 -1.0 2.0
   53    57    61    68   0.29250  1.0 3.0
   53    57    63    64   0.00000  1.0 1.0
   53    57    63    72  -0.29800  1.0 1.0
   53    57    63    72   0.13950 -1.0 2.0
   53    57    63    72  -2.45650  1.0 3.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    61   0.00000  1.0 1.0
   54    53    57    63   0.00000  1.0 1.0
   57    61    67    76   0.00000  1.0 1.0
   57    61    67    91   0.00000  1.0 1.0
   57    61    68    69   0.15000  1.0 3.0
   57    61    68    70   0.15000  1.0 3.0
   57    61    68    71   0.15000  1.0 3.0
   57    63    72    73   3.04450 -1.0 2.0
   57    63    72    78   1.15000  1.0 1.0
   57    63    72    78   3.04450 -1.0 2.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    67   0.23100  1.0 3.0
   58    57    61    68   0.15000  1.0 3.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    72   0.00000  1.0 1.0
   61    57    63    64   0.00000  1.0 1.0
   61    57    63    72   0.25950  1.0 1.0
   61    57    63    72   0.43850 -1.0 2.0
   61    57    63    72   2.61650  1.0 3.0
   61    67    76    77   3.62500 -1.0 2.0
   61    67    76    85   3.62500 -1.0 2.0
   61    67    91    89   3.62500 -1.0 2.0
   61    67    91    92   3.62500 -1.0 2.0
   62    61    67    76   0.00000  1.0 1.0
   62    61    67    91   0.00000  1.0 1.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71   0.15000  1.0 3.0
   67    61    68    69   0.43200  1.0 3.0
   67    61    68    70   0.43200  1.0 3.0
   67    61    68    71   0.43200  1.0 3.0
   67    76    85    86   3.62500 -1.0 2.0
   67    76    85    87   3.62500 -1.0 2.0
   76    67    91    89   3.62500 -1.0 2.0
   76    67    91    92   3.62500 -1.0 2.0
   76    85    87    88   3.62500 -1.0 2.0
   76    85   -87    89   3.62500 -1.0 2.0
   77    76    85    86   3.62500 -1.0 2.0
   77    76    85    87   3.62500 -1.0 2.0
   85    87    89    90   3.62500 -1.0 2.0
   85    87    89    91   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   86    85    87    89   3.62500 -1.0 2.0
   87    89   -91    67   3.62500 -1.0 2.0
   87    89    91    92   3.62500 -1.0 2.0
   88    87    89    90   3.62500 -1.0 2.0
   88    87    89    91   3.62500 -1.0 2.0
   90    89    91    67   3.62500 -1.0 2.0
   90    89    91    92   3.62500 -1.0 2.0
   91    67    76    77   3.62500 -1.0 2.0
   91    67   -76    85   3.62500 -1.0 2.0
   68    61    67    76   0.04150 -1.0 2.0
   68    61    67    91   0.04150 -1.0 2.0
   63    57    61    62   0.23200  1.0 3.0
   63    57    61    67   0.42250  1.0 1.0
   63    57    61    67  -0.48100 -1.0 2.0
   63    57    61    67   0.35650  1.0 3.0
   63    57    61    68   0.42250  1.0 1.0
   63    57    61    68  -0.48100 -1.0 2.0
   63    57    61    68   0.35650  1.0 3.0
   63    72    78    79   0.00000  1.0 1.0
   63    72    78    80   0.00000  1.0 1.0
   63    72    78    81   0.00000  1.0 1.0
   64    63    72    73   2.45000 -1.0 2.0
   64    63    72    78   2.45000 -1.0 2.0
   73    72    78    79   0.00000  1.0 1.0
   73    72    78    80   0.00000  1.0 1.0
   73    72    78    81   0.00000  1.0 1.0
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
   44    49    48    51  15.00000 -1.0 2.0
   55    52    51    48  15.00000 -1.0 2.0
   51    56    55    59  15.00000 -1.0 2.0
   65    60    59    55  15.00000 -1.0 2.0
   59    66    65    74  15.00000 -1.0 2.0
   82    75    74    65  15.00000 -1.0 2.0
   83    74    82    84  10.50000 -1.0 2.0
   50    57    53    54  10.50000 -1.0 2.0
   76    91    67    61   4.00000 -1.0 2.0
   85    77    76    67   1.10000 -1.0 2.0
   87    86    85    76   1.10000 -1.0 2.0
   89    88    87    85   1.10000 -1.0 2.0
   91    90    89    87   1.10000 -1.0 2.0
   89    92    91    67   1.10000 -1.0 2.0
   64    72    63    57   1.00000 -1.0 2.0
   63    78    72    73  10.50000 -1.0 2.0
END
