* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    149    249     450
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02104   106.65042   -14.52976
    3     1 S   H    _H1_     3     1.02091    56.19375    87.19331
    4     1 S   H    _H2_     4     1.02094    55.90846  -116.17841
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.84742    97.32904   161.85482
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C15    37     1.51792   110.17333   -60.00476
   38    33 S   CT   _C20    69     1.55388   107.23930    64.39026
   39    38 S   HC   _H37    70     1.09800   109.34897   -41.88050
   40    33 S   OH   _O29    81     1.43227   110.17424  -176.85515
   41    40 S   HO   _H48    82     0.96740   106.17841    59.37487
   42    37 S   CMA  _C16    38     1.35836   126.01356   128.02707
   43    42 S   OM   _O23    39     1.26824   130.13736   178.37538
   44    38 S   NTH2 _N22    71     1.47012   110.52796    75.48366
   45    44 S   H    _H43    72     0.99302   117.59693   -35.57763
   46    44 S   H    _H44    73     0.99261   117.63750   157.88985
   47    37 S   C    _C17    76     1.48534   116.86701   -56.40051
   48    47 S   O    _O25    77     1.21828   120.91335   -55.98875
   49    42 S   CT   _C21    40     1.55371   118.40072     1.13160
   50    47 S   N    _N21    78     1.36652   112.63877   123.97745
   51    50 S   H    _H41    79     1.01448   118.35523     0.02798
   52    50 S   H    _H42    80     1.01548   123.45602  -179.96574
   53    49 S   CO4  _C14    41     1.54642   110.82718  -102.17761
   54    53 S   O    _O24    42     1.22880   122.70985   -23.25767
   55    49 S   OH   _O28    74     1.43769   111.34527   141.75360
   56    55 S   HO   _H47    75     0.96681   105.84500    59.76392
   57    53 S   CA   _C8_    43     1.48868   118.45352   158.76537
   58    57 S   CA   _C9_    44     1.39797   120.58758    -5.81965
   59    58 S   CA   _C10    45     1.40279   119.07946   179.48871
   60    58 S   CT   _C18    64     1.50244   121.72492     1.88969
   61    60 S   HC   _H34    65     1.09780   107.89528    95.18288
   62    60 S   HC   _H35    66     1.09431   111.72608  -148.45540
   63    59 S   CA   _C6_    46     1.40490   121.39382     1.20057
   64    59 S   CT   _C23    60     1.50158   115.43962  -177.35248
   65    64 S   HC   _H38    61     1.09290   109.89060   -91.47759
   66    64 S   HC   _H39    62     1.09367   110.74282    29.02314
   67    64 S   HC   _H40    63     1.09414   110.73692   147.99430
   68    49 S   CT   _C19    67     1.55183   112.76477    22.21781
   69    68 S   HC   _H36    68     1.10037   108.52813    64.81118
   70    63 S   CA   _C7_    47     1.41234   119.21151    -0.47064
   71    70 S   CA   _C11    48     1.40453   119.24333   179.94405
   72    57 S   CA   _C12    57     1.40224   119.22348   174.94204
   73    71 S   CA   _C4_    49     1.39566   120.73567     0.03956
   74    73 S   HA   _H32    50     1.08705   120.43425  -179.98022
   75    71 S   OH   _O26    55     1.36637   123.17650  -179.93744
   76    75 S   HO   _H45    56     0.96844   109.99924  -179.97202
   77    72 S   OH   _O27    58     1.36885   119.70647    -0.62181
   78    77 S   HO   _H46    59     0.96819   109.85707     0.51282
   79    73 S   CA   _C5_    51     1.39032   119.98290     0.02798
   80    79 S   HA   _H33    52     1.08851   118.43085  -179.86294
   81    63 S   CA   _C13    53     1.40426   121.49724   179.57022
   82    81 S   Cl   CL31    54     1.74041   126.91682    -0.59840
  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  10   5   4   3
  17   2   1   1  16  17   8   5   1  13   5   6   2   1   5   3
  12   2   1   1  12   5   5   1  13  15  15   7   3   2  14   5
   2   1   1   1   1  11   9   5   7   4   2   1   1   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    68    38    39    44    47    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    49    60    68    69    38    39    44    45    46    47    48    50    40    41  
   35    36  
   36  
    0  
   42    43    49    53    68    38    39    44    55    47    48    50    51    52    40    41  
   39    44    45    46    55    47    40    41    42    49    53    58    60    61    62    68    69  
   44    45    46    40    49    60    68    69  
   41    42    44    47    68  
    0  
   43    49    53    54    57    60    68    69    55    56    47    48    50  
   49    53    68    55    47  
   45    46    49    60    68    69  
   46    68  
   68  
   48    50    51    52    49  
   50    51    52  
   53    54    57    58    72    60    61    62    68    69    55    56  
   51    52  
   52  
    0  
   54    57    58    59    70    72    77    60    68    69    55    56  
   57    58    72    68    55  
   56    57    60    68    69  
   68  
   58    59    63    70    71    72    77    78    64    60    61    62    68  
   59    63    70    81    72    77    64    65    66    67    60    61    62    68    69  
   63    70    71    79    81    82    72    64    65    66    67    60    61    62    68  
   61    62    68    69    63    64    72  
   62    68    69  
   68    69  
   70    71    73    79    80    81    82    75    72    77    64    65    66    67  
   65    66    67    70    81  
   66    67  
   67  
    0  
   69  
    0  
   71    73    74    79    81    82    75    76    72    77    78  
   73    74    79    80    81    75    76    72    77  
   77    78    73    75    81  
   74    79    80    81    82    75    76  
   79    80    81    75  
   76    79  
    0  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   0.432500   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   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    40   320.000  1.410
   37    42   465.000  1.376
   37    47   410.000  1.444
   42    43   745.000  1.250
   42    49   270.000  1.512
   49    53   317.000  1.522
   49    68   268.000  1.529
   49    55   320.000  1.410
   53    54   570.000  1.229
   53    57   310.000  1.470
   57    58   469.000  1.400
   57    72   469.000  1.400
   58    59   469.000  1.400
   58    60   317.000  1.510
   59    63   469.000  1.400
   59    64   317.000  1.510
   63    70   469.000  1.400
   63    81   469.000  1.400
   70    71   469.000  1.400
   70    72   469.000  1.400
   71    73   469.000  1.400
   71    75   450.000  1.364
   73    74   367.000  1.080
   73    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   300.000  1.725
   75    76   553.000  0.945
   72    77   450.000  1.364
   77    78   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    38   268.000  1.529
   38    39   340.000  1.090
   38    44   300.000  1.468
   44    45   495.000  1.019
   44    46   495.000  1.019
   55    56   553.000  0.945
   47    48   570.000  1.229
   47    50   490.000  1.335
   50    51   434.000  1.010
   50    52   434.000  1.010
   40    41   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    47    70.00000  119.70000
   33    38    68    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    44    80.00000  112.76400
   33    40    41    55.00000  108.50000
   37    42    43    65.00000  137.10300
   37    42    49    65.00000  122.18000
   37    47    48    80.00000  125.30000
   37    47    50    80.00000  111.56200
   42    49    53    70.00000  109.06800
   42    49    68    70.00000  112.02700
   42    49    55    90.00000  110.39200
   49    42    43    85.00000  112.85300
   49    53    54    80.00000  120.40000
   49    53    57    65.00000  115.47100
   49    68    60    58.35000  112.70000
   49    68    69    37.50000  110.70000
   49    68    38    58.35000  112.70000
   49    55    56    55.00000  108.50000
   53    57    58    60.00000  119.52600
   53    57    72    60.00000  119.52600
   57    53    54    75.00000  123.78400
   57    58    59    63.00000  120.00000
   57    58    60    70.00000  120.00000
   57    72    70    63.00000  120.00000
   57    72    77    70.00000  120.00000
   58    59    63    63.00000  120.00000
   58    59    64    70.00000  120.00000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    68    70.00000  112.17500
   59    63    70    63.00000  120.00000
   59    63    81    63.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   63    70    71    63.00000  120.00000
   63    70    72    63.00000  120.00000
   63    81    79    63.00000  120.00000
   63    81    82    75.00000  120.00000
   70    71    73    63.00000  120.00000
   70    71    75    70.00000  120.00000
   70    72    77    70.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    79    63.00000  120.00000
   71    75    76    35.00000  113.00000
   73    79    80    35.00000  120.00000
   73    79    81    63.00000  120.00000
   79    73    74    35.00000  120.00000
   79    81    82    75.00000  120.00000
   81    63    70    63.00000  120.00000
   81    79    80    35.00000  120.00000
   75    71    73    70.00000  120.00000
   72    57    58    63.00000  120.00000
   72    70    71    63.00000  120.00000
   72    77    78    35.00000  113.00000
   64    59    63    70.00000  120.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   60    58    59    70.00000  120.00000
   60    68    69    37.50000  110.70000
   60    68    38    58.35000  112.70000
   62    60    61    33.00000  107.80000
   68    49    53    63.00000  111.10000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    38    39    37.50000  110.70000
   68    38    44    80.00000  112.76400
   38    33    37    70.00000  112.02700
   38    68    69    37.50000  110.70000
   38    44    45    50.00000  110.30900
   38    44    46    50.00000  110.30900
   44    38    39    50.00000  110.79000
   46    44    45    40.00000  106.77200
   55    49    53    90.00000  109.61100
   55    49    68    50.00000  109.50000
   47    37    42    60.00000  120.04000
   47    50    51    35.00000  119.80000
   47    50    52    35.00000  119.80000
   50    47    48    80.00000  122.90000
   52    50    51    35.00000  120.00000
   40    33    37    90.00000  110.39200
   40    33    38    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    47   0.09700  1.0 1.0
   29    33    37    47   0.15600 -1.0 2.0
   29    33    37    47  -0.50800  1.0 3.0
   29    33    38    68   0.44750  1.0 1.0
   29    33    38    68  -0.17800 -1.0 2.0
   29    33    38    68   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    49   7.00000 -1.0 2.0
   33    37    47    48  -0.64400  1.0 1.0
   33    37    47    48   0.26850 -1.0 2.0
   33    37    47    50   1.59650  1.0 1.0
   33    37    47    50   0.42750 -1.0 2.0
   33    37    47    50  -0.48350  1.0 3.0
   33    38    44    45   0.21650  1.0 1.0
   33    38    44    45   0.26250 -1.0 2.0
   33    38    44    45   0.12450  1.0 3.0
   33    38    44    46   0.21650  1.0 1.0
   33    38    44    46   0.26250 -1.0 2.0
   33    38    44    46   0.12450  1.0 3.0
   37    33    38    68   0.34400  1.0 1.0
   37    33    38    68   0.09450 -1.0 2.0
   37    33    38    68   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    44   0.59950  1.0 1.0
   37    33    38    44  -0.21400 -1.0 2.0
   37    33    38    44   0.56200  1.0 3.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    49    53  -0.51250  1.0 1.0
   37    42    49    53  -0.88800 -1.0 2.0
   37    42    49    53   0.08850  1.0 3.0
   37    42   -49    68   0.09850  1.0 1.0
   37    42   -49    68   0.15250 -1.0 2.0
   37    42   -49    68  -0.50650  1.0 3.0
   37    42    49    55   0.67800  1.0 1.0
   37    42    49    55   0.47050 -1.0 2.0
   37    42    49    55  -0.62500  1.0 3.0
   37    47    50    51   2.56700 -1.0 2.0
   37    47    50    52   2.56700 -1.0 2.0
   42    37    47    48   1.00000 -1.0 2.0
   42    37    47    50   0.49500  1.0 1.0
   42    37    47    50   1.31600 -1.0 2.0
   42    37    47    50  -0.02300  1.0 3.0
   42    49    53    54   0.30150 -1.0 2.0
   42    49    53    57   0.65300  1.0 1.0
   42    49    53    57  -0.03850 -1.0 2.0
   42    49    53    57   0.33900  1.0 3.0
   42    49    68    60   0.34400  1.0 1.0
   42    49    68    60   0.09450 -1.0 2.0
   42    49    68    60   0.11100  1.0 3.0
   42    49    68    69   0.15000  1.0 3.0
   42    49    68    38   0.34400  1.0 1.0
   42    49    68    38   0.09450 -1.0 2.0
   42    49    68    38   0.11100  1.0 3.0
   42    49    55    56  -0.07800  1.0 1.0
   42    49    55    56  -0.21500 -1.0 2.0
   42    49    55    56  -0.03150  1.0 3.0
   43    42    49    53   0.09700  1.0 1.0
   43    42    49    53   0.15600 -1.0 2.0
   43    42    49    53  -0.50800  1.0 3.0
   43    42    49    68   0.09700  1.0 1.0
   43    42    49    68   0.15600 -1.0 2.0
   43    42    49    68  -0.50800  1.0 3.0
   43    42    49    55   0.09700  1.0 1.0
   43    42    49    55   0.15600 -1.0 2.0
   43    42    49    55  -0.50800  1.0 3.0
   49    53    57    58   2.26350  1.0 1.0
   49    53    57    58   0.76750 -1.0 2.0
   49    53    57    58   0.22500  1.0 3.0
   49    53    57    72   2.26350  1.0 1.0
   49    53    57    72   0.76750 -1.0 2.0
   49    53    57    72   0.22500  1.0 3.0
   49    68   -38    33   0.56750  1.0 1.0
   49    68   -38    33  -0.07550 -1.0 2.0
   49    68   -38    33   0.20000  1.0 3.0
   49    68    38    39   0.15000  1.0 3.0
   49    68    38    44   1.85550  1.0 1.0
   49    68    38    44  -0.84100 -1.0 2.0
   53    49    68    60  -0.95700  1.0 1.0
   53    49    68    60  -0.18200 -1.0 2.0
   53    49    68    60   0.29450  1.0 3.0
   53    49    68    69  -0.11250  1.0 3.0
   53    49    68    38  -0.95700  1.0 1.0
   53    49    68    38  -0.18200 -1.0 2.0
   53    49    68    38   0.29450  1.0 3.0
   53    49    55    56   0.91850  1.0 1.0
   53    49    55    56   0.57950  1.0 3.0
   53    57    58    59   3.62500 -1.0 2.0
   53    57   -58    60   3.62500 -1.0 2.0
   53    57    72    70   3.62500 -1.0 2.0
   53    57    72    77   3.62500 -1.0 2.0
   54    53    57    58   1.05000 -1.0 2.0
   54    53    57    72   1.05000 -1.0 2.0
   57    58    59    63   3.62500 -1.0 2.0
   57    58    59    64   3.62500 -1.0 2.0
   57    58    60    61   0.00000  1.0 1.0
   57    58    60    62   0.00000  1.0 1.0
   57    58    60    68   0.04150 -1.0 2.0
   57    72    77    78   0.84100 -1.0 2.0
   58    57    72    70   3.62500 -1.0 2.0
   58    57    72    77   3.62500 -1.0 2.0
   58    59   -63    70   3.62500 -1.0 2.0
   58    59    63    81   3.62500 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    67   0.00000  1.0 1.0
   58    60   -68    49  -0.03700  1.0 1.0
   58    60   -68    49   0.37200 -1.0 2.0
   58    60   -68    49  -0.47300  1.0 3.0
   58    60    68    69   0.43200  1.0 3.0
   58    60    68    38  -0.03700  1.0 1.0
   58    60    68    38   0.37200 -1.0 2.0
   58    60    68    38  -0.47300  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.00000  1.0 1.0
   59    58    60    68   0.04150 -1.0 2.0
   59    63    70    71   3.62500 -1.0 2.0
   59    63    70    72   3.62500 -1.0 2.0
   59    63    81    79   3.62500 -1.0 2.0
   59    63    81    82   3.62500 -1.0 2.0
   63    59    64    65   0.00000  1.0 1.0
   63    59    64    66   0.00000  1.0 1.0
   63    59    64    67   0.00000  1.0 1.0
   63    70    71    73   3.62500 -1.0 2.0
   63    70    71    75   3.62500 -1.0 2.0
   63    70   -72    57   3.62500 -1.0 2.0
   63    70    72    77   3.62500 -1.0 2.0
   70    63    81    79   3.62500 -1.0 2.0
   70    63    81    82   3.62500 -1.0 2.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71   -73    79   3.62500 -1.0 2.0
   70    71    75    76   0.84100 -1.0 2.0
   70    72    77    78   0.84100 -1.0 2.0
   71    70    72    57   3.62500 -1.0 2.0
   71    70    72    77   3.62500 -1.0 2.0
   71    73    79    80   3.62500 -1.0 2.0
   71    73    79    81   3.62500 -1.0 2.0
   73    71    75    76   0.84100 -1.0 2.0
   73    79   -81    63   3.62500 -1.0 2.0
   73    79    81    82   3.62500 -1.0 2.0
   74    73    79    80   3.62500 -1.0 2.0
   74    73    79    81   3.62500 -1.0 2.0
   80    79    81    63   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    63   -70    71   3.62500 -1.0 2.0
   81    63    70    72   3.62500 -1.0 2.0
   75    71    73    74   3.62500 -1.0 2.0
   75    71    73    79   3.62500 -1.0 2.0
   72    57   -58    59   3.62500 -1.0 2.0
   72    57    58    60   3.62500 -1.0 2.0
   72    70    71    73   3.62500 -1.0 2.0
   72    70    71    75   3.62500 -1.0 2.0
   64    59    63    70   3.62500 -1.0 2.0
   64    59    63    81   3.62500 -1.0 2.0
   60    58    59    63   3.62500 -1.0 2.0
   60    58    59    64   3.62500 -1.0 2.0
   60    68    38    33   0.56750  1.0 1.0
   60    68    38    33  -0.07550 -1.0 2.0
   60    68    38    33   0.20000  1.0 3.0
   60    68    38    39   0.15000  1.0 3.0
   60    68    38    44   1.85550  1.0 1.0
   60    68    38    44  -0.84100 -1.0 2.0
   61    60    68    49   0.15000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    38   0.15000  1.0 3.0
   62    60    68    49   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    38   0.15000  1.0 3.0
   68    49    53    54   0.30150 -1.0 2.0
   68    49   -53    57   0.05850 -1.0 2.0
   68    49   -53    57   0.17250  1.0 3.0
   68    49    55    56  -0.11600  1.0 1.0
   68    49    55    56  -0.09450 -1.0 2.0
   68    49    55    56   0.21250  1.0 3.0
   68    38    44    45   0.21650  1.0 1.0
   68    38    44    45   0.26250 -1.0 2.0
   68    38    44    45   0.12450  1.0 3.0
   68    38    44    46   0.21650  1.0 1.0
   68    38    44    46   0.26250 -1.0 2.0
   68    38    44    46   0.12450  1.0 3.0
   69    68    38    33   0.15000  1.0 3.0
   69    68    38    39   0.15000  1.0 3.0
   69    68    38    44   0.15000  1.0 3.0
   38    33   -37    42   0.09850  1.0 1.0
   38    33   -37    42   0.15250 -1.0 2.0
   38    33   -37    42  -0.50650  1.0 3.0
   38    33    37    47   0.09700  1.0 1.0
   38    33    37    47   0.15600 -1.0 2.0
   38    33    37    47  -0.50800  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   39    38    44    45   0.20000  1.0 3.0
   39    38    44    46   0.20000  1.0 3.0
   55    49    53    54   0.30150 -1.0 2.0
   55    49    53    57   0.65300  1.0 1.0
   55    49    53    57  -0.03850 -1.0 2.0
   55    49    53    57   0.33900  1.0 3.0
   55    49    68    60   0.86500  1.0 1.0
   55    49    68    60  -0.17500 -1.0 2.0
   55    49    68    60   0.20800  1.0 3.0
   55    49    68    69   0.23400  1.0 3.0
   55    49    68    38   0.86500  1.0 1.0
   55    49    68    38  -0.17500 -1.0 2.0
   55    49    68    38   0.20800  1.0 3.0
   47    37    42    43   7.00000 -1.0 2.0
   47    37    42    49   7.00000 -1.0 2.0
   48    47    50    51   2.45000 -1.0 2.0
   48    47    50    52   2.45000 -1.0 2.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    47   0.09700  1.0 1.0
   40    33    37    47   0.15600 -1.0 2.0
   40    33    37    47  -0.50800  1.0 3.0
   40    33    38    68   0.86500  1.0 1.0
   40    33    38    68  -0.17500 -1.0 2.0
   40    33    38    68   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    44   5.28650  1.0 1.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    47    37    42   1.10000 -1.0 2.0
   49    43    42    37   1.10000 -1.0 2.0
   49    57    53    54  10.50000 -1.0 2.0
   58    72    57    53   4.00000 -1.0 2.0
   59    60    58    57   4.00000 -1.0 2.0
   63    64    59    58   4.00000 -1.0 2.0
   70    81    63    59   4.00000 -1.0 2.0
   71    72    70    63   4.00000 -1.0 2.0
   73    75    71    70   4.00000 -1.0 2.0
   79    74    73    71   1.10000 -1.0 2.0
   81    80    79    73   1.10000 -1.0 2.0
   79    82    81    63   4.00000 -1.0 2.0
   70    77    72    57   4.00000 -1.0 2.0
   37    50    47    48  10.50000 -1.0 2.0
   52    47    50    51   1.00000 -1.0 2.0
END
