* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    144    219     426
    1     0 S   NP   _N1_     1    29.04451    97.25360   -20.98178
    2     1 S   H    _HN1     2     1.02938    67.92623    10.00296
    3     1 S   H    _H1_     3     1.02833    47.52264   153.60474
    4     1 S   H    _H2_     4     1.02798    95.74436   -97.43531
    5     1 S   CT   _CA1     5     1.50112   150.28610   103.04580
    6     5 S   HC   _HA1     6     1.09587   105.17182    97.18572
    7     5 S   CO3  _C1_     7     1.53753   112.03141   -22.83185
    8     7 S   O2Z  _O11     8     1.26360   115.09097   -54.14518
    9     7 S   O2Z  _O12     9     1.26205   114.83718   124.52566
   10     5 S   CT   _CB1    10     1.53033   107.34762  -145.20893
   11    10 S   HC   HB11    11     1.09845   109.32295   -50.75629
   12    10 S   HC   HB12    12     1.09805   110.57203    65.80318
   13    10 S   CT   _CG1    13     1.53005   112.55829  -171.66181
   14    13 S   HC   HG11    14     1.09440   110.60719   -66.52601
   15    13 S   HC   HG12    15     1.09656   109.77670    52.69577
   16    13 S   C    _CD1    16     1.51787   111.79327   173.30801
   17    16 S   O    _OE1    17     1.22774   123.07867    13.52742
   18    16 S   N    _N2_    18     1.38638   112.04141  -166.48397
   19    18 S   H    _HN2    19     1.01592   119.02704     0.35388
   20    18 S   CT1  _CA2    20     1.46251   123.12377   175.23753
   21    20 S   HC   _HA2    21     1.09731   109.33579     5.94983
   22    20 S   C    _C2_    22     1.53624   108.67596  -109.52563
   23    22 S   O    _O2_    23     1.23071   122.21730  -148.28911
   24    20 S   CT   _CB2    32     1.53207   111.79617   128.03072
   25    24 S   HC   HB21    33     1.09405   110.07406    59.80447
   26    24 S   HC   HB22    34     1.09546   110.33461   177.45270
   27    22 S   N    _N3_    24     1.38299   113.82371    39.09001
   28    27 S   H    _HN3    25     1.01555   119.62614    -3.04767
   29    24 S   S    _SG2    35     1.82872   111.66194   -63.88773
   30    27 S   CT   _CA3    26     1.45280   123.29201   177.30841
   31    30 S   HC   HA31    27     1.09546   107.50772   -65.15501
   32    30 S   HC   HA32    28     1.09556   108.00911    51.31351
   33    29 S   CT   _C11    36     1.84019   100.22466   132.72157
   34    33 S   HC   _H3_    37     1.09742   106.94602    46.03236
   35    30 S   CO3  _C3_    29     1.52978   114.01903   173.32958
   36    35 S   O2Z  _O31    30     1.26385   116.06948    -0.01978
   37    35 S   O2Z  _O32    31     1.26423   114.42187  -179.96044
   38    33 S   CA   _C7_    38     1.52038   111.36514   -73.56403
   39    33 S   CT   _C12    54     1.53664   108.13574   161.34541
   40    39 S   HC   _H16    55     1.09726   112.27812    60.97421
   41    39 S   HC   _H17    56     1.09770   111.23711   -57.74734
   42    38 S   CA   _C8_    39     1.40314   119.42399   111.44054
   43    42 S   HA   _H13    40     1.08761   120.42827    -0.36691
   44    39 S   CO4  _C13    57     1.51133   111.02220  -176.32603
   45    44 S   O    _O35    58     1.22350   123.72502    67.06098
   46    42 S   CA   _C9_    41     1.39330   120.75823   179.36634
   47    46 S   HA   _H14    42     1.08615   119.39156   180.00000
   48    44 S   OS   _O36    59     1.36198   109.68694  -111.69680
   49    46 S   CA   _C10    43     1.39315   119.61387    -0.58417
   50    48 S   CT   _C14    60     1.44770   118.27235   177.13037
   51    50 S   HC   _H4_    61     1.09736   109.86890    23.34287
   52    49 S   CA   _C5_    44     1.39864   121.06708     0.45284
   53    49 S   OH   _O34    52     1.36977   119.81522  -179.34419
   54    53 S   HO   _H15    53     0.97185   108.95661    -2.09181
   55    50 S   CT   _C15    62     1.53183   107.23794   142.31380
   56    55 S   HC   _H5_    63     1.09749   109.20731    46.25984
   57    38 S   CA   _C6_    45     1.40769   121.86003   -69.17900
   58    57 S   HA   _H12    46     1.08591   118.44712     1.10323
   59    52 S   OS   _O33    47     1.36986   116.03063  -179.58035
   60    55 S   CT   _C16    64     1.53170   111.75801   167.61550
   61    60 S   HC   _H6_    65     1.09550   109.71158  -174.04905
   62    55 S   OH   _O41    80     1.42701   109.09029   -69.98879
   63    62 S   HO   _H23    81     0.97236   107.71954  -174.65317
   64    59 S   CT   _C4_    48     1.42198   117.30693  -179.38420
   65    64 S   HC   _H9_    49     1.09418   107.75784   179.64337
   66    64 S   HC   _H10    50     1.09491   111.20046    61.80661
   67    64 S   HC   _H11    51     1.09504   111.07667   -62.67004
   68    60 S   CT   _C17    66     1.53262   109.92884   -52.05477
   69    68 S   HC   _H7_    67     1.09785   110.68125   -61.34862
   70    60 S   OH   _O40    78     1.42967   110.04425    69.22158
   71    70 S   HO   _H22    79     0.97301   108.04889   -70.24425
   72    68 S   OS   _O37    68     1.43627   108.95592    57.51455
   73    68 S   CT   _C19    73     1.52837   112.02071   176.45436
   74    73 S   HC   _H19    74     1.09435   111.02968    50.53545
   75    73 S   HC   _H20    75     1.09481   111.50771   -72.06716
   76    50 S   CO   _C18    69     1.53508   108.80880   -98.37322
   77    76 S   HC   _H8_    70     1.09737   110.77811   -47.65903
   78    73 S   OH   _O39    76     1.42501   108.95492   169.22780
   79    78 S   HO   _H21    77     0.97243   107.01836   178.44066
   80    76 S   OH   _O38    71     1.42472   108.47131    70.00271
   81    80 S   HO   _H18    72     0.97199   106.64726  -158.00557
  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
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3  10
   7  14   8   9   3   1  14   7   3   1   4  13   7   4   1   3
   2   1   1  12   7   3   1   8   5   3   2   3   2   1   1   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    42    57    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    57    58    39    40    41    44    45    48  
   38    42    57    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    57    58    59    39    40    41    44  
   40    41    44    45    48    50    42    57  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    57    58    53  
   46    47    49    57  
   45    48    50    51    55    76  
   48    50  
   47    49    52    57    59    53    54  
   49    52    53  
   50    51    55    56    60    72    76    77    80    62  
   52    57    58    59    64    53    54  
   51    55    56    60    61    68    72    76    77    80    81    70    62    63  
   55    56    60    72    76    77    80    62  
   57    58    59    64    65    66    67    53    54  
   54    57    59  
    0  
   56    60    61    68    69    72    76    77    80    73    70    71    62    63  
   60    61    68    76    70    62    63  
   58    59    64  
   59  
   64    65    66    67  
   61    68    69    72    76    73    74    75    78    70    71    62    63  
   68    69    72    73    70    71    62  
   63    68    70    76  
    0  
   65    66    67  
   66    67  
   67  
    0  
   69    72    76    77    80    73    74    75    78    79    70    71  
   72    76    73    74    75    78    70  
   71    72    73  
    0  
   76    77    80    81    73    74    75    78  
   74    75    78    79    76  
   75    78    79  
   78    79  
   77    80    81  
   80    81  
   79  
    0  
   81  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    42   469.000  1.400
   38    57   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   59    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    76   250.000  1.527
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    62   320.000  1.410
   60    61   340.000  1.090
   60    68   268.000  1.529
   60    70   320.000  1.410
   68    69   340.000  1.090
   68    72   320.000  1.410
   68    73   268.000  1.529
   72    76   320.000  1.380
   76    77   340.000  1.090
   76    80   380.000  1.407
   80    81   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   320.000  1.410
   78    79   553.000  0.945
   70    71   553.000  0.945
   62    63   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    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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    57    52    63.00000  120.00000
   38    57    58    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    52    59    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    57    58    35.00000  120.00000
   52    59    64    75.00000  111.00000
   57    38    42    63.00000  120.00000
   59    52    57    70.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    50.00000  109.50000
   48    50    76    90.00000  109.38000
   50    55    56    37.50000  110.70000
   50    55    60    58.35000  112.70000
   50    55    62    50.00000  109.50000
   50    76    72    90.00000  108.56700
   50    76    77    45.00000  112.01100
   50    76    80    90.00000  110.19100
   55    50    51    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    68    58.35000  112.70000
   55    60    70    50.00000  109.50000
   55    62    63    55.00000  108.50000
   60    55    56    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    72    50.00000  109.50000
   60    68    73    58.35000  112.70000
   60    70    71    55.00000  108.50000
   68    60    61    37.50000  110.70000
   68    72    76    60.00000  109.50000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    78    50.00000  109.50000
   72    68    69    35.00000  109.50000
   72    76    77    35.00000  109.50000
   72    76    80   110.00000  112.08000
   76    50    51    45.00000  108.72000
   76    50    55    75.00000  109.43000
   76    80    81    70.00000  107.92000
   80    76    77    60.00000  108.02500
   73    68    69    37.50000  110.70000
   73    68    72    50.00000  109.50000
   73    78    79    55.00000  108.50000
   75    73    74    33.00000  107.80000
   78    73    74    35.00000  109.50000
   78    73    75    35.00000  109.50000
   70    60    61    35.00000  109.50000
   70    60    68    50.00000  109.50000
   62    55    56    35.00000  109.50000
   62    55    60    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    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    57    52   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    57    52   3.62500 -1.0 2.0
   42    38    57    58   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    57   3.62500 -1.0 2.0
   46    49    52    59   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -57    38   3.62500 -1.0 2.0
   49    52    57    58   3.62500 -1.0 2.0
   49    52    59    64   1.63200 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   52    59    64    65   0.08050  1.0 3.0
   52    59    64    66   0.08050  1.0 3.0
   52    59    64    67   0.08050  1.0 3.0
   57    38    42    43   3.62500 -1.0 2.0
   57    38   -42    46   3.62500 -1.0 2.0
   57    52    59    64   1.63200 -1.0 2.0
   59    52    57    38   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   53    49    52    57   3.62500 -1.0 2.0
   53    49    52    59   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -0.25900  1.0 1.0
   44    48    50    55  -0.47000 -1.0 2.0
   44    48    50    55   0.11750  1.0 3.0
   44    48    50    76  -0.25900  1.0 1.0
   44    48    50    76  -0.47000 -1.0 2.0
   44    48    50    76   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.23400  1.0 3.0
   48    50    55    60   0.62750  1.0 1.0
   48    50    55    60  -0.30950 -1.0 2.0
   48    50    55    60   0.27300  1.0 3.0
   48    50    55    62   3.69350  1.0 1.0
   48    50    55    62  -1.82950 -1.0 2.0
   48    50    76    72   1.11900  1.0 1.0
   48    50    76    72  -1.16350 -1.0 2.0
   48    50    76    72  -0.34150  1.0 3.0
   48    50    76    77   0.23400  1.0 3.0
   48    50    76    80   3.69350  1.0 1.0
   48    50    76    80  -1.82950 -1.0 2.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    68   0.56750  1.0 1.0
   50    55    60    68  -0.07550 -1.0 2.0
   50    55    60    68   0.20000  1.0 3.0
   50    55    60    70   0.86500  1.0 1.0
   50    55    60    70  -0.17500 -1.0 2.0
   50    55    60    70   0.20800  1.0 3.0
   50    55    62    63  -0.11600  1.0 1.0
   50    55    62    63  -0.09450 -1.0 2.0
   50    55    62    63   0.21250  1.0 3.0
   50    76    80    81  -0.11600  1.0 1.0
   50    76    80    81  -0.09450 -1.0 2.0
   50    76    80    81   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   51    50    55    62   0.23400  1.0 3.0
   51    50    76    72   0.23400  1.0 3.0
   51    50    76    77   0.15000  1.0 3.0
   51    50    76    80   0.23400  1.0 3.0
   55    50    76    72   0.62750  1.0 1.0
   55    50    76    72  -0.30950 -1.0 2.0
   55    50    76    72   0.27300  1.0 3.0
   55    50    76    77   0.15000  1.0 3.0
   55    50    76    80   0.86500  1.0 1.0
   55    50    76    80  -0.17500 -1.0 2.0
   55    50    76    80   0.20800  1.0 3.0
   55    60    68    69   0.15000  1.0 3.0
   55    60   -68    72   0.62750  1.0 1.0
   55    60   -68    72  -0.30950 -1.0 2.0
   55    60   -68    72   0.27300  1.0 3.0
   55    60    68    73   0.56750  1.0 1.0
   55    60    68    73  -0.07550 -1.0 2.0
   55    60    68    73   0.20000  1.0 3.0
   55    60    70    71  -0.11600  1.0 1.0
   55    60    70    71  -0.09450 -1.0 2.0
   55    60    70    71   0.21250  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    68   0.15000  1.0 3.0
   56    55    60    70   0.23400  1.0 3.0
   56    55    62    63   0.19450  1.0 3.0
   60    55    62    63  -0.11600  1.0 1.0
   60    55    62    63  -0.09450 -1.0 2.0
   60    55    62    63   0.21250  1.0 3.0
   60    68    72    76   0.06250  1.0 1.0
   60    68    72    76  -0.01100 -1.0 2.0
   60    68    72    76   0.28050  1.0 3.0
   60    68    73    74   0.15000  1.0 3.0
   60    68    73    75   0.15000  1.0 3.0
   60    68    73    78   0.86500  1.0 1.0
   60    68    73    78  -0.17500 -1.0 2.0
   60    68    73    78   0.20800  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    72   0.23400  1.0 3.0
   61    60    68    73   0.15000  1.0 3.0
   61    60    70    71   0.19450  1.0 3.0
   68    60    70    71  -0.11600  1.0 1.0
   68    60    70    71  -0.09450 -1.0 2.0
   68    60    70    71   0.21250  1.0 3.0
   68    72   -76    50   0.06250  1.0 1.0
   68    72   -76    50  -0.01100 -1.0 2.0
   68    72   -76    50   0.28050  1.0 3.0
   68    72    76    77   0.37050  1.0 3.0
   68    72    76    80  -0.81800  1.0 1.0
   68    73    78    79  -0.11600  1.0 1.0
   68    73    78    79  -0.09450 -1.0 2.0
   68    73    78    79   0.21250  1.0 3.0
   69    68    72    76   0.37050  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    78   0.23400  1.0 3.0
   72    68    73    74   0.23400  1.0 3.0
   72    68    73    75   0.23400  1.0 3.0
   72    68    73    78   3.69350  1.0 1.0
   72    68    73    78  -1.82950 -1.0 2.0
   72    76    80    81  -0.50000  1.0 1.0
   72    76    80    81  -0.73950 -1.0 2.0
   72    76    80    81   0.17150  1.0 3.0
   76    50    55    56   0.15000  1.0 3.0
   76    50   -55    60   3.97050  1.0 1.0
   76    50    55    62   0.86500  1.0 1.0
   76    50    55    62  -0.17500 -1.0 2.0
   76    50    55    62   0.20800  1.0 3.0
   77    76    80    81   0.19450  1.0 3.0
   73    68    72    76   0.06250  1.0 1.0
   73    68    72    76  -0.01100 -1.0 2.0
   73    68    72    76   0.28050  1.0 3.0
   74    73    78    79   0.19450  1.0 3.0
   75    73    78    79   0.19450  1.0 3.0
   70    60    68    69   0.23400  1.0 3.0
   70    60    68    72   3.69350  1.0 1.0
   70    60    68    72  -1.82950 -1.0 2.0
   70    60    68    73   0.86500  1.0 1.0
   70    60    68    73  -0.17500 -1.0 2.0
   70    60    68    73   0.20800  1.0 3.0
   62    55    60    61   0.23400  1.0 3.0
   62    55    60    68   0.86500  1.0 1.0
   62    55    60    68  -0.17500 -1.0 2.0
   62    55    60    68   0.20800  1.0 3.0
   62    55    60    70   3.75450  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
   36    30    35    37  10.50000 -1.0 2.0
   42    57    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   57    59    52    49   4.00000 -1.0 2.0
   52    58    57    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
END
