* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    145    239     426
    1     0 S   NP   _N1_     1    30.30573    93.48125   -16.72709
    2     1 S   H    _HN1     2     1.03153   132.51298    97.95331
    3     1 S   H    _H1_     3     1.02794    26.13643   111.83013
    4     1 S   H    _H2_     4     1.02752    91.67100   -18.24482
    5     1 S   CT   _CA1     5     1.49921   100.40637  -131.26137
    6     5 S   HC   _HA1     6     1.09576   105.04466    35.85948
    7     5 S   CO3  _C1_     7     1.53745   112.68948   -84.26107
    8     7 S   O2Z  _O11     8     1.26324   115.13238   -42.62462
    9     7 S   O2Z  _O12     9     1.26263   114.89107   136.45193
   10     5 S   CT   _CB1    10     1.53071   107.62432   153.85529
   11    10 S   HC   HB11    11     1.09839   109.56846   -47.67587
   12    10 S   HC   HB12    12     1.09814   110.60477    68.89074
   13    10 S   CT   _CG1    13     1.52990   112.27738  -168.69221
   14    13 S   HC   HG11    14     1.09566   111.10716   -68.61850
   15    13 S   HC   HG12    15     1.09620   110.81062    50.51477
   16    13 S   C    _CD1    16     1.51298   110.19749   169.70818
   17    16 S   O    _OE1    17     1.22858   121.58278   -92.55399
   18    16 S   N    _N2_    18     1.38342   113.03854    85.86044
   19    18 S   H    _HN2    19     1.01562   119.17641     3.74690
   20    18 S   CT1  _CA2    20     1.46136   123.16037  -177.98171
   21    20 S   HC   _HA2    21     1.09730   109.26186     2.55834
   22    20 S   C    _C2_    22     1.53458   109.20506  -113.36705
   23    22 S   O    _O2_    23     1.23100   122.15886  -148.24886
   24    20 S   CT   _CB2    32     1.53356   111.61092   124.17247
   25    24 S   HC   HB21    33     1.09055   109.64216    61.87728
   26    24 S   HC   HB22    34     1.09477   109.59446   179.97202
   27    22 S   N    _N3_    24     1.38301   113.92423    39.31421
   28    27 S   H    _HN3    25     1.01607   119.70844    -3.86437
   29    24 S   S    _SG2    35     1.82725   111.71361   -60.07639
   30    27 S   CT   _CA3    26     1.45310   122.85240   176.83071
   31    30 S   HC   HA31    27     1.09561   107.61348   -61.15002
   32    30 S   HC   HA32    28     1.09566   107.80068    55.17952
   33    29 S   CT   _C22    36     1.90262   101.46002   162.45908
   34    30 S   CO3  _C3_    29     1.52878   114.33200   177.13386
   35    34 S   O2Z  _O31    30     1.26327   116.09805     0.28667
   36    34 S   O2Z  _O32    31     1.26445   114.38479  -179.69099
   37    33 S   CA   _C12    37     1.54394   109.93941    48.00264
   38    33 S   CO4  _C17    68     1.53459   107.34087   168.77386
   39    38 S   O    _O24    69     1.22666   125.62128  -119.78536
   40    37 S   CA   _C11    38     1.41085   120.26130  -121.08644
   41    40 S   CA   _C7_    39     1.40892   120.23490  -179.72446
   42    41 S   HA   _H33    40     1.08877   119.61056   178.74664
   43    40 S   CO   _C20    51     1.50468   120.33882    -3.98202
   44    43 S   HC   _H35    52     1.09842   107.97683   -95.44655
   45    41 S   CA   _C13    41     1.39699   121.42887    -0.76872
   46    43 S   NE   _N22    53     1.44541   112.09144    25.63489
   47    45 S   CA   _C8_    42     1.39329   118.79101    -0.43431
   48    47 S   HA   _H34    43     1.08727   119.62339  -178.99809
   49    45 S   CT   _C23    47     1.49872   120.52727  -178.04756
   50    49 S   HC   _H37    48     1.09434   109.99464    87.87687
   51    49 S   HC   _H38    49     1.09512   110.96416  -151.64474
   52    49 S   HC   _H39    50     1.09511   110.91645   -32.62710
   53    33 S   CM   _C18    54     1.55811   106.71386   -78.85810
   54    46 S   CT1  _C21    70     1.45628   107.95457   144.44201
   55    54 S   HC   _H36    71     1.09440   111.49036    97.50754
   56    37 S   CA   _C15    44     1.41284   122.38337    58.04163
   57    53 S   CMA  _C16    55     1.37761   123.35413   -78.33439
   58    57 S   OM   _O23    56     1.26918   126.96131  -176.54345
   59    54 S   CO4  _C19    72     1.51593   102.44876   -16.79306
   60    59 S   O    _O25    73     1.22199   125.89444  -172.50244
   61    54 S   CT   _C24    75     1.52004   113.03586  -134.64660
   62    61 S   HC   _H40    76     1.09500   111.70604    64.98390
   63    61 S   HC   _H41    77     1.09364   112.31679   -56.46378
   64    61 S   HC   _H42    78     1.09575   110.21789  -176.58912
   65    56 S   OH   _O28    45     1.37183   119.78964     0.29805
   66    65 S   HO   _H44    46     0.97181   109.19759   178.26867
   67    57 S   CA   _C10    57     1.52146   115.29666     0.64407
   68    43 S   OS   _O26    74     1.42700   112.46071   146.19440
   69    67 S   CA   _C9_    58     1.40125   120.13059   -25.34382
   70    69 S   CA   _C5_    59     1.40054   122.94530  -175.17046
   71    70 S   HA   _H31    60     1.08658   120.97688  -179.72234
   72    70 S   CA   _C4_    61     1.38970   119.43627    -1.23907
   73    72 S   HA   _H30    62     1.08593   120.17188  -179.43594
   74    72 S   CA   _C6_    63     1.39116   119.65935     0.02798
   75    74 S   HA   _H32    64     1.08667   119.62486  -179.81548
   76    67 S   CA   _C14    65     1.41258   123.91979   158.35933
   77    76 S   OH   _O27    66     1.37339   122.68268    -4.24902
   78    77 S   HO   _H43    67     0.97718   107.17787     8.25935
  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  18  12   4  14  13   4  12   5   8  13   8   3
   4   2   1   1  11   9   7   2   7   3   6   2   4   2   1   1
   1   1   9   1   7   6   3   5   3   4   2   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    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    56    46    53    57    69    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    56    65    43    46    53    57    58    67    69    70    38    39    54  
   35    36  
   36  
    0  
   40    41    42    45    47    48    56    65    66    43    44    46    53    57    69    38    39    68  
   39    40    46    53    56    57    67    69    70    71    72    76  
   53    67    69    70  
   41    42    45    47    56    65    49    43    44    46    53    54    59    68  
   42    45    47    48    56    49    50    51    52    43    44    46    68  
   45    47    49    43  
   44    46    53    57    54    55    59    60    68    61    45    56  
   46    53    54    59    68  
   47    48    56    65    49    50    51    52  
   53    57    58    67    54    55    59    60    68    61    62    63    64  
   48    56    65    66    49    50    51    52  
   56    65    49  
   50    51    52    56  
   51    52  
   52  
    0  
   57    58    67    69    76    54    55    59    68    61    56  
   55    59    60    68    61    62    63    64    57  
   59    60    68    61    62    63    64  
   65    66  
   58    67    69    70    74    76    77  
   67    69    76  
   60    68    61    62    63    64  
   68    61  
   62    63    64    68  
   63    64  
   64  
    0  
   66  
    0  
   69    70    71    72    74    75    76    77    78  
    0  
   70    71    72    73    74    76    77  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76    77  
   74    75    76  
   75    76    77    78  
   76    77  
   77    78  
   78  
    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   0.282500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.2500   0.1700  -0.263000   1.9050   1.6860   0.051222218  -2.220205820
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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
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    53   317.000  1.510
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    56   469.000  1.400
   40    41   469.000  1.400
   40    43   270.000  1.504
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    49   317.000  1.510
   47    48   367.000  1.080
   47    56   469.000  1.400
   56    65   450.000  1.364
   65    66   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   43    44   340.000  1.090
   43    46   320.000  1.442
   43    68   320.000  1.380
   46    53   425.000  1.378
   46    54   382.000  1.448
   53    57   465.000  1.376
   57    58   745.000  1.250
   57    67   320.000  1.460
   67    69   469.000  1.400
   67    76   469.000  1.400
   69    70   469.000  1.400
   69    38   310.000  1.470
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   38    39   570.000  1.229
   54    55   340.000  1.090
   54    59   255.000  1.522
   54    61   268.000  1.529
   59    60   570.000  1.229
   59    68   214.000  1.327
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    53    75.00000  112.20000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    56    70.00000  120.00000
   33    53    46    75.00000  116.24600
   33    53    57    70.00000  124.00000
   33    38    69    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    60.00000  120.68000
   37    56    47    63.00000  120.00000
   37    56    65    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    45.00000  112.15300
   40    43    46    75.00000  111.80000
   40    43    68    90.00000  107.97000
   41    45    47    63.00000  120.00000
   41    45    49    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    56    63.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    35.00000  109.50000
   47    56    65    70.00000  120.00000
   56    37    40    63.00000  120.00000
   56    47    48    35.00000  120.00000
   56    65    66    35.00000  113.00000
   49    45    47    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   43    40    41    60.00000  120.68000
   43    46    53    50.00000  121.00000
   43    46    54    50.00000  115.00000
   43    68    59    95.00000  111.08000
   46    43    44    50.00000  108.16000
   46    53    57    70.00000  124.03900
   46    54    55    35.00000  109.50000
   46    54    59    80.00000  111.64100
   46    54    61    80.00000  111.61500
   53    33    37    70.00000  112.99600
   53    57    58    65.00000  137.10300
   53    57    67    60.00000  123.20500
   57    67    69    60.00000  120.93500
   57    67    76    60.00000  120.93500
   67    57    58    85.00000  114.86500
   67    69    70    63.00000  120.00000
   67    69    38    60.00000  119.52600
   67    76    74    63.00000  120.00000
   67    76    77    70.00000  120.00000
   69    70    71    35.00000  120.00000
   69    70    72    63.00000  120.00000
   69    38    39    75.00000  123.78400
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    70.00000  120.00000
   76    67    69    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  113.00000
   38    33    37    70.00000  110.93000
   38    33    53    70.00000  109.06800
   38    69    70    60.00000  119.52600
   54    46    53    50.00000  121.00000
   54    59    60    75.00000  123.42600
   54    59    68    90.00000  109.72300
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   59    54    55    45.00000  110.09800
   68    43    44    35.00000  109.50000
   68    43    46    95.00000  112.71300
   68    59    60    83.00000  123.40000
   61    54    55    37.50000  110.70000
   61    54    59    70.00000  110.61500
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    53  -0.62250  1.0 1.0
   24    29    33    53  -0.38450 -1.0 2.0
   24    29    33    53   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    56  -0.16000  1.0 1.0
   29    33    37    56  -0.03200 -1.0 2.0
   29    33    37    56   0.04500  1.0 3.0
   29    33    53    46   0.09700  1.0 1.0
   29    33    53    46   0.15600 -1.0 2.0
   29    33    53    46  -0.50800  1.0 3.0
   29    33    53    57   0.42700  1.0 1.0
   29    33    53    57  -0.70350 -1.0 2.0
   29    33    53    57  -0.43150  1.0 3.0
   29    33    38    69   0.65300  1.0 1.0
   29    33    38    69  -0.03850 -1.0 2.0
   29    33    38    69   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    56    47   3.62500 -1.0 2.0
   33    37    56    65   3.62500 -1.0 2.0
   33    53    57    58   7.00000 -1.0 2.0
   33    53    57    67   7.00000 -1.0 2.0
   37    33    53    46  -0.22650  1.0 1.0
   37    33    53    46   0.16900 -1.0 2.0
   37    33    53    46   1.14250  1.0 3.0
   37    33    53    57   1.44450  1.0 1.0
   37    33    53    57   0.06600 -1.0 2.0
   37    33    53    57   0.29250  1.0 3.0
   37    33    38    69   0.65300  1.0 1.0
   37    33    38    69  -0.03850 -1.0 2.0
   37    33    38    69   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46  -0.06000  1.0 1.0
   37    40   -43    46   0.30500 -1.0 2.0
   37    40   -43    46   0.09200  1.0 3.0
   37    40    43    68   0.64500  1.0 1.0
   37    40    43    68   0.14800 -1.0 2.0
   37    40    43    68   0.20650  1.0 3.0
   37    56    65    66   0.84100 -1.0 2.0
   40    37    56    47   3.62500 -1.0 2.0
   40    37    56    65   3.62500 -1.0 2.0
   40    41   -45    47   3.62500 -1.0 2.0
   40    41    45    49   3.62500 -1.0 2.0
   40    43    46    53  -0.12500  1.0 1.0
   40    43    46    53  -0.12500 -1.0 2.0
   40    43    46    53   0.25000  1.0 3.0
   40    43    46    54   0.00000  1.0 1.0
   40    43    68    59  -0.43900 -1.0 2.0
   40    43    68    59   0.14100  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46  -0.06000  1.0 1.0
   41    40    43    46   0.30500 -1.0 2.0
   41    40    43    46   0.09200  1.0 3.0
   41    40    43    68   0.64500  1.0 1.0
   41    40    43    68   0.14800 -1.0 2.0
   41    40    43    68   0.20650  1.0 3.0
   41    45    47    48   3.62500 -1.0 2.0
   41    45    47    56   3.62500 -1.0 2.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    51   0.00000  1.0 1.0
   41    45    49    52   0.00000  1.0 1.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    49   3.62500 -1.0 2.0
   45    47   -56    37   3.62500 -1.0 2.0
   45    47    56    65   3.62500 -1.0 2.0
   47    45    49    50   0.00000  1.0 1.0
   47    45    49    51   0.00000  1.0 1.0
   47    45    49    52   0.00000  1.0 1.0
   47    56    65    66   0.84100 -1.0 2.0
   48    47    56    37   3.62500 -1.0 2.0
   48    47    56    65   3.62500 -1.0 2.0
   56    37   -40    41   3.62500 -1.0 2.0
   56    37    40    43   3.62500 -1.0 2.0
   49    45    47    48   3.62500 -1.0 2.0
   49    45    47    56   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46   -53    33   1.00000 -1.0 2.0
   43    46    53    57  -0.54700  1.0 1.0
   43    46    53    57   1.23000 -1.0 2.0
   43    46    54    55   0.00000  1.0 1.0
   43    46   -54    59   0.00000  1.0 1.0
   43    46    54    61   0.00000  1.0 1.0
   44    43    46    53   0.00000  1.0 1.0
   44    43    46    54   0.00000  1.0 1.0
   44    43    68    59   0.08050  1.0 3.0
   46    43   -68    59  -0.24150  1.0 1.0
   46    43   -68    59  -0.46200 -1.0 2.0
   46    43   -68    59   0.11700  1.0 3.0
   46    53    57    58   7.00000 -1.0 2.0
   46    53    57    67   7.00000 -1.0 2.0
   46    54    59    60   0.00000  1.0 1.0
   46    54   -59    68   0.40000  1.0 3.0
   46    54    61    62   0.22950  1.0 3.0
   46    54    61    63   0.22950  1.0 3.0
   46    54    61    64   0.22950  1.0 3.0
   53    33   -37    40   0.18050 -1.0 2.0
   53    33    37    56   0.18050 -1.0 2.0
   53    33    38    69   0.65300  1.0 1.0
   53    33    38    69  -0.03850 -1.0 2.0
   53    33    38    69   0.33900  1.0 3.0
   53    33    38    39   0.30150 -1.0 2.0
   53    46    54    55   0.00000  1.0 1.0
   53    46    54    59  -0.12500  1.0 1.0
   53    46    54    59  -0.12500 -1.0 2.0
   53    46    54    59   0.25000  1.0 3.0
   53    46    54    61   0.25450  1.0 1.0
   53    46    54    61  -0.61700 -1.0 2.0
   53    46    54    61  -0.23550  1.0 3.0
   53    57   -67    69   0.15800  1.0 1.0
   53    57   -67    69   1.85350 -1.0 2.0
   53    57   -67    69  -0.48700  1.0 3.0
   53    57    67    76   0.15800  1.0 1.0
   53    57    67    76   1.85350 -1.0 2.0
   53    57    67    76  -0.48700  1.0 3.0
   57    67    69    70   3.62500 -1.0 2.0
   57    67    69    38   3.62500 -1.0 2.0
   57    67    76    74   3.62500 -1.0 2.0
   57    67    76    77   3.62500 -1.0 2.0
   58    57    67    69  -0.01750  1.0 1.0
   58    57    67    69  -0.32000 -1.0 2.0
   58    57    67    69   0.00600  1.0 3.0
   58    57    67    76  -0.01750  1.0 1.0
   58    57    67    76  -0.32000 -1.0 2.0
   58    57    67    76   0.00600  1.0 3.0
   67    69    70    71   3.62500 -1.0 2.0
   67    69    70    72   3.62500 -1.0 2.0
   67    69   -38    33   2.26350  1.0 1.0
   67    69   -38    33   0.76750 -1.0 2.0
   67    69   -38    33   0.22500  1.0 3.0
   67    69    38    39   1.05000 -1.0 2.0
   67    76    77    78   0.84100 -1.0 2.0
   69    67    76    74   3.62500 -1.0 2.0
   69    67    76    77   3.62500 -1.0 2.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70   -72    74   3.62500 -1.0 2.0
   70    69    38    33   2.26350  1.0 1.0
   70    69    38    33   0.76750 -1.0 2.0
   70    69    38    33   0.22500  1.0 3.0
   70    69    38    39   1.05000 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74   -76    67   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   0.84100 -1.0 2.0
   75    74    76    67   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    67   -69    70   3.62500 -1.0 2.0
   76    67    69    38   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    56   0.04300 -1.0 2.0
   38    33    53    46   0.09700  1.0 1.0
   38    33    53    46   0.15600 -1.0 2.0
   38    33    53    46  -0.50800  1.0 3.0
   38    33   -53    57  -0.51250  1.0 1.0
   38    33   -53    57  -0.88800 -1.0 2.0
   38    33   -53    57   0.08850  1.0 3.0
   38    69    70    71   3.62500 -1.0 2.0
   38    69    70    72   3.62500 -1.0 2.0
   54    46    53    33   1.00000 -1.0 2.0
   54    46    53    57  -0.54700  1.0 1.0
   54    46    53    57   1.23000 -1.0 2.0
   54    59   -68    43   1.63150  1.0 1.0
   54    59   -68    43   2.92000 -1.0 2.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    68   0.00000  1.0 1.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   59    54    61    62  -0.03800  1.0 3.0
   59    54    61    63  -0.03800  1.0 3.0
   59    54    61    64  -0.03800  1.0 3.0
   60    59    68    43   3.00000 -1.0 2.0
   68    43    46    53   0.75000  1.0 1.0
   68    43    46    53  -0.75000 -1.0 2.0
   68    43   -46    54   0.00000  1.0 1.0
   61    54    59    60   0.00000  1.0 1.0
   61    54    59    68   0.36750  1.0 3.0
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
   40    56    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   47    49    45    41   4.00000 -1.0 2.0
   56    48    47    45   1.10000 -1.0 2.0
   47    65    56    37   4.00000 -1.0 2.0
   54    53    46    43   1.00000 -1.0 2.0
   33    46    53    57   1.10000 -1.0 2.0
   67    58    57    53   1.10000 -1.0 2.0
   69    76    67    57   4.00000 -1.0 2.0
   70    38    69    67   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    77    76    67   4.00000 -1.0 2.0
   33    69    38    39  10.50000 -1.0 2.0
   54    68    59    60  10.50000 -1.0 2.0
END
