* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    167    248     478
    1     0 S   NP   _N1_     1    28.78396    99.55635   -21.08691
    2     1 S   H    _HN1     2     1.02780    95.05354  -105.43848
    3     1 S   H    _H1_     3     1.02957    60.28629     2.79778
    4     1 S   H    _H2_     4     1.02836    55.39837   146.29293
    5     1 S   CT   _CA1     5     1.50115   152.60032    79.57572
    6     5 S   HC   _HA1     6     1.09583   105.20158   113.03918
    7     5 S   CO3  _C1_     7     1.53826   112.43179    -7.03734
    8     7 S   O2Z  _O11     8     1.26361   114.97683   -43.60296
    9     7 S   O2Z  _O12     9     1.26253   114.95078   135.48693
   10     5 S   CT   _CB1    10     1.53124   107.41058  -129.15185
   11    10 S   HC   HB11    11     1.09812   109.33166   -51.47454
   12    10 S   HC   HB12    12     1.09808   110.49021    65.17349
   13    10 S   CT   _CG1    13     1.52865   112.45567  -172.59631
   14    13 S   HC   HG11    14     1.09483   110.22914   -64.53134
   15    13 S   HC   HG12    15     1.09670   109.98165    54.38433
   16    13 S   C    _CD1    16     1.51820   112.70126   174.74551
   17    16 S   O    _OE1    17     1.22703   123.53341    -4.24446
   18    16 S   N    _N2_    18     1.38431   111.37708   176.60581
   19    18 S   H    _HN2    19     1.01595   118.74531    -0.84904
   20    18 S   CT1  _CA2    20     1.45835   123.44268   177.41245
   21    20 S   HC   _HA2    21     1.09738   108.63807    32.10817
   22    20 S   C    _C2_    22     1.52984   107.64191   -85.07690
   23    22 S   O    _O2_    23     1.22948   123.24277   -24.87864
   24    20 S   CT   _CB2    32     1.53234   111.51162   155.30394
   25    24 S   HC   HB21    33     1.09593   109.74808    53.28850
   26    24 S   HC   HB22    34     1.09494   110.97942   172.15155
   27    22 S   N    _N3_    24     1.38519   112.44856   157.70206
   28    27 S   H    _HN3    25     1.01652   120.35126    -2.30461
   29    24 S   S    _SG2    35     1.82464   110.57443   -68.17688
   30    27 S   CT   _CA3    26     1.45350   122.49724   178.62556
   31    30 S   HC   HA31    27     1.09567   107.85690   -54.78661
   32    30 S   HC   HA32    28     1.09561   107.57708    61.56140
   33    29 S   CT   _C26    36     1.84057   100.16551   147.16068
   34    33 S   HC   _H5_    37     1.09399   106.47483   -49.23644
   35    30 S   CO3  _C3_    29     1.52888   114.29560  -176.72075
   36    35 S   O2Z  _O31    30     1.26340   116.04996    -0.02798
   37    35 S   O2Z  _O32    31     1.26433   114.41339   179.93744
   38    33 S   CM   _C24    38     1.53415   108.71112  -168.10713
   39    33 S   CT   _C27    89     1.53000   111.17923    66.62121
   40    39 S   HC   _H26    90     1.09560   112.48991    55.11436
   41    39 S   HC   _H27    91     1.09537   111.25070   -65.72297
   42    39 S   HC   _H28    92     1.09611   110.48603   175.64747
   43    38 S   CMA  _C23    39     1.36882   123.17821   105.54894
   44    43 S   OM   _O39    40     1.26796   125.00345   177.39090
   45    38 S   CT   _C25    85     1.52226   115.08165   -75.32892
   46    45 S   HC   _H23    86     1.09481   110.19104   -69.87096
   47    45 S   HC   _H24    87     1.09424   113.48839   169.94120
   48    45 S   HC   _H25    88     1.09430   111.05326    50.34450
   49    43 S   OS   _O38    41     1.41182   112.13314     1.05462
   50    49 S   CT   _C20    42     1.44462   120.85158  -128.86445
   51    50 S   CT   _C19    43     1.56048   106.40605   169.70054
   52    51 S   HC   _H4_    44     1.10225   108.07452  -174.40091
   53    50 S   CT   _C21    77     1.53921   112.19339   -72.25242
   54    53 S   HC   _H17    78     1.09438   111.89231    76.99189
   55    53 S   HC   _H18    79     1.09461   111.55085   -42.59839
   56    53 S   HC   _H19    80     1.09578   111.24241  -164.06072
   57    50 S   CT   _C22    81     1.54034   111.26921    51.72352
   58    57 S   HC   _H20    82     1.09497   111.78193   -66.83634
   59    57 S   HC   _H21    83     1.09377   111.34499    52.20666
   60    57 S   HC   _H22    84     1.09527   111.25052   173.23131
   61    51 S   CT   _C9_    45     1.55179   117.24454    63.71990
   62    61 S   HC   _H3_    46     1.09530   110.46375    88.14621
   63    61 S   CA   _C10    47     1.48431    98.27971  -152.78067
   64    61 S   OS   _O34    63     1.43310   112.92096   -39.82567
   65    63 S   CA   _C11    48     1.38556   109.44954    18.17948
   66    64 S   CO4  _C8_    64     1.35844   117.24007   145.04409
   67    66 S   O    _O33    65     1.22141   127.03902    -4.63016
   68    65 S   CA   _C12    49     1.38260   121.89984   176.35922
   69    68 S   HA   _H13    50     1.08300   121.49271  -179.58788
   70    51 S   OS   _O37    62     1.46238   110.73340   -59.88278
   71    66 S   CM   _C6_    66     1.48459   108.71675   174.82437
   72    68 S   CA   _C13    51     1.39893   118.24736     0.74125
   73    72 S   HA   _H14    52     1.08770   118.93285   179.75691
   74    71 S   CM   _C5_    67     1.34495   120.40186  -133.95091
   75    74 S   HC   _H9_    68     1.08921   117.76586  -177.85461
   76    71 S   CT   _C7_    73     1.49897   117.14708    48.13136
   77    76 S   HC   _H10    74     1.09439   110.58019   -71.94304
   78    76 S   HC   _H11    75     1.09462   110.37272    48.61092
   79    76 S   HC   _H12    76     1.09523   111.95212   168.09052
   80    72 S   CA   _C14    53     1.40551   120.53934    -0.46394
   81    74 S   CT   _C4_    69     1.49586   128.27387     3.90976
   82    81 S   HC   _H6_    70     1.09402   109.95659  -110.10683
   83    81 S   HC   _H7_    71     1.09500   109.35770   131.35948
   84    81 S   HC   _H8_    72     1.09196   113.54957    11.93784
   85    63 S   CA   _C15    54     1.38191   130.63337  -165.47724
   86    85 S   OS   _O35    55     1.40385   118.98701     3.34117
   87    86 S   CO4  _C16    56     1.39008   121.37486  -179.40521
   88    87 S   O    _O36    57     1.22609   122.08227   179.49332
   89    87 S   CM   _C17    58     1.47458   116.88472    -0.52897
   90    89 S   HC   _H15    59     1.08431   117.08157  -179.60833
   91    80 S   CM   _C18    60     1.45370   121.91785  -179.58883
   92    91 S   HC   _H16    61     1.08439   119.09375    -0.87043
  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
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  13  16  18   8   9   3   2   1   5   2   1   1  12   6  12   8
   8   9   3   7   4   2  10   7   3   9   5   4   2   1   1   7
   3   2   1   1   6   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    53    57    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    61    70    53    54    55    56    57    58    59    60  
   51    52    61    62    63    65    70    64    53    54    55    56    57    58    59    60  
   52    61    62    63    65    68    85    70    64    66    53    54    55    56    57    58    59    60  
   61    62    63    65    70    64    53    57  
   54    55    56    57    58    59    60    61    70  
   55    56    57  
   56    57  
   57  
   58    59    60    61    70  
   59    60  
   60  
    0  
   62    63    65    68    80    85    86    70    64    66    67    71  
   63    65    85    70    64    66  
   65    68    69    72    80    85    86    87    91    70    64    66  
   66    67    71    74    76    65    70    85  
   68    69    72    73    80    85    86    70  
   67    71    74    75    81    76    77    78    79  
   71    74    76  
   69    72    73    80    85    91    70  
   72    73    80    70  
   72    85  
   74    75    81    82    83    84    76    77    78    79  
   73    80    85    86    89    91    92  
   80    85    91  
   75    81    82    83    84    76    77    78    79  
   81    82    83    84    76  
   77    78    79    81  
   78    79  
   79  
    0  
   85    86    87    89    90    91    92  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    91    92  
   87    88    89    90    91  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   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   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   268.000  1.529
   50    53   268.000  1.529
   50    57   268.000  1.529
   51    52   340.000  1.090
   51    61   268.000  1.529
   51    70   320.000  1.410
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   320.000  1.410
   63    65   469.000  1.400
   63    85   469.000  1.400
   65    68   469.000  1.400
   65    70   450.000  1.364
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   367.000  1.080
   72    80   469.000  1.400
   80    85   469.000  1.400
   80    91   320.000  1.460
   85    86   450.000  1.364
   86    87   214.000  1.327
   87    88   570.000  1.229
   87    89   320.000  1.462
   89    90   340.000  1.080
   89    91   549.000  1.340
   91    92   340.000  1.080
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    71   320.000  1.462
   71    74   549.000  1.340
   71    76   317.000  1.510
   74    75   340.000  1.080
   74    81   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    50.00000  109.50000
   49    50    53    50.00000  109.50000
   49    50    57    50.00000  109.50000
   50    51    52    37.50000  110.70000
   50    51    61    58.35000  112.70000
   50    51    70    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    70.00000  112.17500
   51    61    64    50.00000  109.50000
   51    70    65    75.00000  111.00000
   61    51    52    37.50000  110.70000
   61    63    65    70.00000  120.00000
   61    63    85    70.00000  120.00000
   61    64    66    83.00000  116.90000
   63    61    62    35.00000  109.50000
   63    65    68    63.00000  120.00000
   63    65    70    70.00000  120.00000
   63    85    80    63.00000  120.00000
   63    85    86    70.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    72    63.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    80    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    80    85    63.00000  120.00000
   72    80    91    60.00000  120.93500
   80    72    73    35.00000  120.00000
   80    85    86    70.00000  120.00000
   80    91    89    60.00000  123.20500
   80    91    92    40.00000  117.26300
   85    63    65    63.00000  120.00000
   85    86    87    85.00000  115.98000
   86    87    88    83.00000  123.40000
   86    87    89    90.00000  111.29400
   87    89    90    40.00000  117.72500
   87    89    91    65.00000  118.96000
   89    87    88    80.00000  123.72100
   89    91    92    35.00000  120.00000
   91    80    85    60.00000  120.93500
   91    89    90    35.00000  120.00000
   70    51    52    35.00000  109.50000
   70    51    61    50.00000  109.50000
   70    65    68    70.00000  120.00000
   64    61    62    35.00000  109.50000
   64    61    63    85.00000  111.85700
   64    66    67    83.00000  123.40000
   64    66    71    90.00000  111.29400
   66    71    74    65.00000  118.96000
   66    71    76    65.00000  116.34900
   71    66    67    80.00000  123.72100
   71    74    75    35.00000  120.00000
   71    74    81    70.00000  124.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   74    81    82    35.00000  109.50000
   74    81    83    35.00000  109.50000
   74    81    84    35.00000  109.50000
   81    74    75    35.00000  117.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   76    71    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    50    51    58.35000  112.70000
   57    50    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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   0.32350  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51  -0.46850  1.0 1.0
   43    49    50    51   0.09300 -1.0 2.0
   43    49    50    51  -0.12850  1.0 3.0
   43    49    50    53  -0.46850  1.0 1.0
   43    49    50    53   0.09300 -1.0 2.0
   43    49    50    53  -0.12850  1.0 3.0
   43    49    50    57  -0.46850  1.0 1.0
   43    49    50    57   0.09300 -1.0 2.0
   43    49    50    57  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    51    52   0.23400  1.0 3.0
   49    50    51    61   0.62750  1.0 1.0
   49    50    51    61  -0.30950 -1.0 2.0
   49    50    51    61   0.27300  1.0 3.0
   49    50    51    70   1.11900  1.0 1.0
   49    50    51    70  -1.16350 -1.0 2.0
   49    50    51    70  -0.34150  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    56   0.23400  1.0 3.0
   49    50    57    58   0.23400  1.0 3.0
   49    50    57    59   0.23400  1.0 3.0
   49    50    57    60   0.23400  1.0 3.0
   50    51    61    62   0.15000  1.0 3.0
   50    51    61    63  -0.03700  1.0 1.0
   50    51    61    63   0.37200 -1.0 2.0
   50    51    61    63  -0.47300  1.0 3.0
   50    51    61    64   0.62750  1.0 1.0
   50    51    61    64  -0.30950 -1.0 2.0
   50    51    61    64   0.27300  1.0 3.0
   50    51    70    65  -0.32850  1.0 1.0
   50    51    70    65  -0.35800 -1.0 2.0
   50    51    70    65   0.33950  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   51    61   -63    65   0.04150 -1.0 2.0
   51    61    63    85   0.04150 -1.0 2.0
   51    61    64    66  -0.25900  1.0 1.0
   51    61    64    66  -0.47000 -1.0 2.0
   51    61    64    66   0.11750  1.0 3.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.43200  1.0 3.0
   52    51    61    64   0.23400  1.0 3.0
   52    51    70    65   0.08050  1.0 3.0
   61    51   -70    65  -0.32850  1.0 1.0
   61    51   -70    65  -0.35800 -1.0 2.0
   61    51   -70    65   0.33950  1.0 3.0
   61    63    65    68   3.62500 -1.0 2.0
   61    63   -65    70   3.62500 -1.0 2.0
   61    63    85    80   3.62500 -1.0 2.0
   61    63    85    86   3.62500 -1.0 2.0
   61    64    66    67   3.00000 -1.0 2.0
   61    64    66    71   2.00000 -1.0 2.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    85   0.00000  1.0 1.0
   62    61    64    66   0.08050  1.0 3.0
   63    61    64    66  -0.43900 -1.0 2.0
   63    61    64    66   0.14100  1.0 3.0
   63    65    68    69   3.62500 -1.0 2.0
   63    65    68    72   3.62500 -1.0 2.0
   63    65   -70    51   1.63200 -1.0 2.0
   63    85    86    87   0.01300  1.0 1.0
   63    85    86    87   0.97950 -1.0 2.0
   63    85    86    87  -0.55700  1.0 3.0
   65    63    85    80   3.62500 -1.0 2.0
   65    63    85    86   3.62500 -1.0 2.0
   65    68    72    73   3.62500 -1.0 2.0
   65    68   -72    80   3.62500 -1.0 2.0
   68    65    70    51   1.63200 -1.0 2.0
   68    72    80    85   3.62500 -1.0 2.0
   68    72    80    91   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    80   3.62500 -1.0 2.0
   72    80   -85    63   3.62500 -1.0 2.0
   72    80    85    86   3.62500 -1.0 2.0
   72    80    91    89   0.15800  1.0 1.0
   72    80    91    89   1.85350 -1.0 2.0
   72    80    91    89  -0.48700  1.0 3.0
   72    80    91    92   0.56550  1.0 3.0
   73    72    80    85   3.62500 -1.0 2.0
   73    72    80    91   3.62500 -1.0 2.0
   80    85    86    87   0.01300  1.0 1.0
   80    85    86    87   0.97950 -1.0 2.0
   80    85    86    87  -0.55700  1.0 3.0
   85    63   -65    68   3.62500 -1.0 2.0
   85    63    65    70   3.62500 -1.0 2.0
   85    80    91    89   0.15800  1.0 1.0
   85    80    91    89   1.85350 -1.0 2.0
   85    80    91    89  -0.48700  1.0 3.0
   85    80    91    92   0.56550  1.0 3.0
   85    86    87    88   3.00000 -1.0 2.0
   85    86   -87    89   2.00000 -1.0 2.0
   86    87    89    90   1.63100 -1.0 2.0
   86    87    89    91  -0.56150  1.0 1.0
   86    87    89    91   2.19150 -1.0 2.0
   87    89   -91    80   7.00000 -1.0 2.0
   87    89    91    92   7.00000 -1.0 2.0
   88    87    89    90   0.00000  1.0 1.0
   88    87    89    91   1.00000 -1.0 2.0
   90    89    91    80   7.00000 -1.0 2.0
   90    89    91    92   7.00000 -1.0 2.0
   91    80    85    63   3.62500 -1.0 2.0
   91    80   -85    86   3.62500 -1.0 2.0
   70    51    61    62   0.23400  1.0 3.0
   70    51   -61    63  -0.64350  1.0 1.0
   70    51   -61    63  -0.04200 -1.0 2.0
   70    51   -61    63   0.19800  1.0 3.0
   70    51    61    64   1.11900  1.0 1.0
   70    51    61    64  -1.16350 -1.0 2.0
   70    51    61    64  -0.34150  1.0 3.0
   70    65    68    69   3.62500 -1.0 2.0
   70    65    68    72   3.62500 -1.0 2.0
   64    61    63    65   0.64500  1.0 1.0
   64    61    63    65   0.14800 -1.0 2.0
   64    61    63    65   0.20650  1.0 3.0
   64    61    63    85   0.64500  1.0 1.0
   64    61    63    85   0.14800 -1.0 2.0
   64    61    63    85   0.20650  1.0 3.0
   64    66    71    74  -0.56150  1.0 1.0
   64    66    71    74   2.19150 -1.0 2.0
   64    66    71    76  -0.15000  1.0 1.0
   64    66    71    76   0.89550 -1.0 2.0
   64    66    71    76  -0.06900  1.0 3.0
   66    71    74    75   7.00000 -1.0 2.0
   66    71    74    81   7.00000 -1.0 2.0
   66    71    76    77   0.15000  1.0 3.0
   66    71    76    78   0.15000  1.0 3.0
   66    71    76    79   0.15000  1.0 3.0
   67    66    71    74   1.00000 -1.0 2.0
   67    66    71    76  -0.64400  1.0 1.0
   67    66    71    76   0.26850 -1.0 2.0
   71    74    81    82   0.00000  1.0 1.0
   71    74    81    83   0.00000  1.0 1.0
   71    74    81    84   0.00000  1.0 1.0
   74    71    76    77   0.00000  1.0 1.0
   74    71    76    78   0.00000  1.0 1.0
   74    71    76    79   0.00000  1.0 1.0
   75    74    81    82   0.33100  1.0 3.0
   75    74    81    83   0.33100  1.0 3.0
   75    74    81    84   0.33100  1.0 3.0
   76    71    74    75   7.00000 -1.0 2.0
   76    71    74    81   7.00000 -1.0 2.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    61   0.56750  1.0 1.0
   53    50    51    61  -0.07550 -1.0 2.0
   53    50    51    61   0.20000  1.0 3.0
   53    50    51    70   0.62750  1.0 1.0
   53    50    51    70  -0.30950 -1.0 2.0
   53    50    51    70   0.27300  1.0 3.0
   53    50    57    58   0.15000  1.0 3.0
   53    50    57    59   0.15000  1.0 3.0
   53    50    57    60   0.15000  1.0 3.0
   57    50    51    52   0.15000  1.0 3.0
   57    50    51    61   0.56750  1.0 1.0
   57    50    51    61  -0.07550 -1.0 2.0
   57    50    51    61   0.20000  1.0 3.0
   57    50    51    70   0.62750  1.0 1.0
   57    50    51    70  -0.30950 -1.0 2.0
   57    50    51    70   0.27300  1.0 3.0
   57    50    53    54   0.15000  1.0 3.0
   57    50    53    55   0.15000  1.0 3.0
   57    50    53    56   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   65    85    63    61   4.00000 -1.0 2.0
   68    70    65    63   4.00000 -1.0 2.0
   72    69    68    65   1.10000 -1.0 2.0
   80    73    72    68   1.10000 -1.0 2.0
   85    91    80    72   4.00000 -1.0 2.0
   80    86    85    63   4.00000 -1.0 2.0
   86    89    87    88  10.50000 -1.0 2.0
   87    90    89    91   1.10000 -1.0 2.0
   80    92    91    89   1.10000 -1.0 2.0
   64    71    66    67  10.50000 -1.0 2.0
   66    76    71    74  15.00000 -1.0 2.0
   81    75    74    71  15.00000 -1.0 2.0
END
