* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    151    237     443
    1     0 S   NP   _N1_     1    28.62327    94.44912   -22.17606
    2     1 S   H    _HN1     2     1.02782    97.50463   -79.13132
    3     1 S   H    _H1_     3     1.02959    85.66451    28.81385
    4     1 S   H    _H2_     4     1.02839    28.85049   167.13798
    5     1 S   CT   _CA1     5     1.50112   138.12903   144.89709
    6     5 S   HC   _HA1     6     1.09576   105.23786    70.45649
    7     5 S   CO3  _C1_     7     1.53779   112.37592   -49.78469
    8     7 S   O2Z  _O11     8     1.26361   114.99498   -44.66090
    9     7 S   O2Z  _O12     9     1.26238   114.91753   134.54288
   10     5 S   CT   _CB1    10     1.53099   107.44169  -171.62567
   11    10 S   HC   HB11    11     1.09828   109.33784   -50.80342
   12    10 S   HC   HB12    12     1.09822   110.43441    65.74547
   13    10 S   CT   _CG1    13     1.53025   112.66163  -171.88671
   14    13 S   HC   HG11    14     1.09594   110.48153   -64.04807
   15    13 S   HC   HG12    15     1.09655   109.96344    55.19430
   16    13 S   C    _CD1    16     1.51793   112.26801   175.56915
   17    16 S   O    _OE1    17     1.22724   123.24948     0.00000
   18    16 S   N    _N2_    18     1.38575   111.74207   179.93744
   19    18 S   H    _HN2    19     1.01606   119.02165    -0.12820
   20    18 S   CT1  _CA2    20     1.46196   123.33923   179.57664
   21    20 S   HC   _HA2    21     1.09624   109.00083   -16.28160
   22    20 S   C    _C2_    22     1.53432   108.35541  -131.39536
   23    22 S   O    _O2_    23     1.23006   122.28013  -146.59971
   24    20 S   CT   _CB2    32     1.53420   111.62003   106.22832
   25    24 S   HC   HB21    33     1.09647   109.60070    54.05099
   26    24 S   HC   HB22    34     1.09426   111.37172   171.63130
   27    22 S   N    _N3_    24     1.38522   113.31253    40.99771
   28    27 S   H    _HN3    25     1.01524   118.92507    -0.74099
   29    24 S   S    _SG2    35     1.82926   113.40072   -65.30536
   30    27 S   CT   _CA3    26     1.45444   123.41532   174.53453
   31    30 S   HC   HA31    27     1.09525   109.17303    25.54813
   32    30 S   HC   HA32    28     1.09490   107.13801   142.60160
   33    29 S   CT   _C19    36     1.84554   100.29048   -79.31764
   34    33 S   HC   _H4_    37     1.09498   107.49951    36.27020
   35    30 S   CO3  _C3_    29     1.52954   113.17834   -97.83713
   36    35 S   O2Z  _O31    30     1.26399   115.47485   -41.60194
   37    35 S   O2Z  _O32    31     1.26363   114.92582   139.30487
   38    33 S   CT   _C18    38     1.52775   108.99979   -83.09495
   39    38 S   HC   _H22    39     1.09599   110.95282    61.03261
   40    38 S   HC   _H23    40     1.09788   110.81950   -57.77630
   41    38 S   CT   _C17    41     1.52170   110.16428  -178.80450
   42    41 S   HC   _H20    42     1.09703   109.60567  -179.16725
   43    41 S   HC   _H21    43     1.09666   108.88838   -63.29151
   44    41 S   CT   _C16    44     1.53240   110.31394    60.14100
   45    44 S   HC   _H3_    45     1.10042   106.60440    69.38741
   46    44 S   CT   _C12    46     1.54589   114.86461   -54.56291
   47    44 S   NT   _N4_    58     1.48329   110.83798  -169.62984
   48    46 S   CA   _C8_    47     1.55086   107.18583   170.93039
   49    47 S   CT   _C14    59     1.48194   105.24033    81.27928
   50    49 S   HC   _H16    60     1.09643   109.11685   -95.03058
   51    49 S   HC   _H17    61     1.09634   112.99540   147.09476
   52    33 S   CT   _C20    75     1.54586   108.96895   154.07568
   53    52 S   HC   _H5_    76     1.09845   109.13909    47.77309
   54    48 S   CA   _C9_    48     1.40315   123.70154  -148.61669
   55    54 S   HA   _H10    49     1.08291   119.23359     1.19845
   56    46 S   CT   _C13    62     1.54386   101.55161   -77.11470
   57    56 S   HC   _H14    63     1.09621   112.82905  -149.64625
   58    56 S   HC   _H15    64     1.09605   111.62254    89.24102
   59    52 S   OH   _O35    77     1.43351   108.03820   -69.29752
   60    59 S   HO   _H24    78     0.97396   107.81968    47.24556
   61    54 S   CA   _C10    50     1.40314   121.18807  -178.54317
   62    61 S   CA   _C5_    51     1.40602   119.88209     0.30132
   63    61 S   OS   _O34    70     1.37475   124.46804  -179.81129
   64    62 S   CA   _C6_    52     1.39684   119.45065     0.11703
   65    64 S   HA   _H9_    53     1.08612   121.37781  -179.82641
   66    62 S   OS   _O33    65     1.37344   115.93566  -179.87489
   67    63 S   CT   _C11    71     1.42213   117.51630     0.30326
   68    67 S   HC   _H11    72     1.09430   107.72417   179.73239
   69    67 S   HC   _H12    73     1.09497   111.16562    62.05087
   70    67 S   HC   _H13    74     1.09495   111.14327   -62.59946
   71    48 S   CA   _C7_    54     1.41214   117.89287    33.73074
   72    66 S   CT   _C4_    66     1.42215   117.37739  -179.88636
   73    72 S   HC   _H6_    67     1.09431   107.73732   179.90109
   74    72 S   HC   _H7_    68     1.09495   111.14921    62.18974
   75    72 S   HC   _H8_    69     1.09495   111.13989   -62.39850
   76    71 S   CT   _C15    55     1.51595   120.16350    -2.96194
   77    76 S   HC   _H18    56     1.09732   109.95754   131.94210
   78    76 S   HC   _H19    57     1.09789   107.96271  -112.34185
  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
  15   8   2   1   1  12   6   5  11   5   4  18   7  18  13  18
  10   5   4   8   3  10   4   5   1   1   1   1  11  11   6   7
   3   5   3   2   1   1   3   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    52    53    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    48    56    52    53    59    60  
   38    39    40    41    46    52    53    59  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    52    53    59  
   40    41    42    43    44    52  
   41    42    43    44    52  
   42    43    44    45    46    48    76    47    49    56    52  
   43    44    45    46    47  
   44    45    46    47  
   45    46    48    54    71    76    77    78    47    49    50    51    56    57    58    52    53    59  
   46    48    76    47    49    56    52  
   48    54    55    61    64    71    76    47    49    50    51    56    57    58    52    53    59    60  
   49    50    51    56    57    58    52    48    64    71    76    77    78  
   54    55    61    62    64    65    71    76    77    78    49    56    57    58    63    52    53    59  
   50    51    56    57    58    52    71    76    77    78  
   51    56    57    58    76  
   56    57    58    76  
   53    59    60    54    56    57    58    71  
   59    60    56  
   55    61    62    64    71    76    56    66    63    67  
   61    62    71    63  
   57    58    59    71    76  
   58  
    0  
   60  
    0  
   62    64    65    71    66    72    63    67    68    69    70  
   64    65    71    76    66    72    73    74    75    63    67  
   67    68    69    70    64    66  
   65    71    76    77    78    66    72  
   71    76    66  
   72    73    74    75    71  
   68    69    70  
   69    70  
   70  
    0  
   76    77    78  
   73    74    75  
   74    75  
   75  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    47   382.000  1.448
   46    48   317.000  1.510
   46    56   268.000  1.529
   46    52   268.000  1.529
   48    54   469.000  1.400
   48    71   469.000  1.400
   54    55   367.000  1.080
   54    61   469.000  1.400
   61    62   469.000  1.400
   61    63   450.000  1.364
   62    64   469.000  1.400
   62    66   450.000  1.364
   64    65   367.000  1.080
   64    71   469.000  1.400
   71    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    47   382.000  1.448
   47    49   382.000  1.448
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   66    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   52    53   340.000  1.090
   52    59   320.000  1.410
   59    60   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    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    52    46    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    59    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    58.35000  112.70000
   41    44    47    56.20000  109.47000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    46    48    70.00000  112.17500
   44    46    56    58.35000  112.70000
   44    46    52    58.35000  112.70000
   44    47    76    51.80000  107.20000
   44    47    49    51.80000  107.20000
   46    44    45    37.50000  110.70000
   46    48    54    70.00000  120.00000
   46    48    71    70.00000  120.00000
   46    56    49    58.35000  112.70000
   46    56    57    37.50000  110.70000
   46    56    58    37.50000  110.70000
   46    52    53    37.50000  110.70000
   46    52    59    50.00000  109.50000
   48    54    55    35.00000  120.00000
   48    54    61    63.00000  120.00000
   48    71    64    63.00000  120.00000
   48    71    76    70.00000  120.00000
   54    61    62    63.00000  120.00000
   54    61    63    70.00000  120.00000
   61    54    55    35.00000  120.00000
   61    62    64    63.00000  120.00000
   61    62    66    70.00000  120.00000
   61    63    67    75.00000  111.00000
   62    64    65    35.00000  120.00000
   62    64    71    63.00000  120.00000
   62    66    72    75.00000  111.00000
   64    71    76    70.00000  120.00000
   71    48    54    63.00000  120.00000
   71    64    65    35.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    47    75.00000  112.33000
   76    47    49    51.80000  107.20000
   78    76    77    33.00000  107.80000
   47    44    45    35.00000  109.50000
   47    44    46    56.20000  109.47000
   47    76    77    35.00000  109.50000
   47    76    78    35.00000  109.50000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    56    56.20000  109.47000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   51    49    50    33.00000  107.80000
   56    46    48    70.00000  112.17500
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   58    56    57    33.00000  107.80000
   66    62    64    70.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   63    61    62    70.00000  120.00000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    46    48    70.00000  112.17500
   52    46    56    58.35000  112.70000
   52    59    60    55.00000  108.50000
   59    52    53    35.00000  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   0.01700  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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    52    46   0.44750  1.0 1.0
   29    33    52    46  -0.17800 -1.0 2.0
   29    33    52    46   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    59   0.56750  1.0 1.0
   29    33    52    59  -0.07550 -1.0 2.0
   29    33    52    59   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    52    59    60  -0.11600  1.0 1.0
   33    52    59    60  -0.09450 -1.0 2.0
   33    52    59    60   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    52    46   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    59   0.23400  1.0 3.0
   38    33    52    46   0.56750  1.0 1.0
   38    33    52    46  -0.07550 -1.0 2.0
   38    33    52    46   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    59   0.86500  1.0 1.0
   38    33    52    59  -0.17500 -1.0 2.0
   38    33    52    59   0.20800  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41   -44    46   0.56750  1.0 1.0
   38    41   -44    46  -0.07550 -1.0 2.0
   38    41   -44    46   0.20000  1.0 3.0
   38    41    44    47   1.53400  1.0 1.0
   38    41    44    47  -0.09950 -1.0 2.0
   38    41    44    47   0.05700  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    46    48  -0.03700  1.0 1.0
   41    44    46    48   0.37200 -1.0 2.0
   41    44    46    48  -0.47300  1.0 3.0
   41    44    46    56   0.56750  1.0 1.0
   41    44    46    56  -0.07550 -1.0 2.0
   41    44    46    56   0.20000  1.0 3.0
   41    44    46    52   0.56750  1.0 1.0
   41    44    46    52  -0.07550 -1.0 2.0
   41    44    46    52   0.20000  1.0 3.0
   41    44    47    76   0.23450  1.0 1.0
   41    44    47    76   0.02050 -1.0 2.0
   41    44    47    76   0.25250  1.0 3.0
   41    44    47    49   0.23450  1.0 1.0
   41    44    47    49   0.02050 -1.0 2.0
   41    44    47    49   0.25250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    47   0.15000  1.0 3.0
   44    46    48    54   0.04150 -1.0 2.0
   44    46    48    71   0.04150 -1.0 2.0
   44    46   -56    49   0.56750  1.0 1.0
   44    46   -56    49  -0.07550 -1.0 2.0
   44    46   -56    49   0.20000  1.0 3.0
   44    46    56    57   0.15000  1.0 3.0
   44    46    56    58   0.15000  1.0 3.0
   44    46   -52    33   0.56750  1.0 1.0
   44    46   -52    33  -0.07550 -1.0 2.0
   44    46   -52    33   0.20000  1.0 3.0
   44    46    52    53   0.15000  1.0 3.0
   44    46    52    59   0.86500  1.0 1.0
   44    46    52    59  -0.17500 -1.0 2.0
   44    46    52    59   0.20800  1.0 3.0
   44    47    49    50   0.28000  1.0 3.0
   44    47    49    51   0.28000  1.0 3.0
   44    47   -49    56   0.23450  1.0 1.0
   44    47   -49    56   0.02050 -1.0 2.0
   44    47   -49    56   0.25250  1.0 3.0
   45    44    46    48   0.43200  1.0 3.0
   45    44    46    56   0.15000  1.0 3.0
   45    44    46    52   0.15000  1.0 3.0
   45    44    47    76   0.28000  1.0 3.0
   45    44    47    49   0.28000  1.0 3.0
   46    44    47    76   0.23450  1.0 1.0
   46    44    47    76   0.02050 -1.0 2.0
   46    44    47    76   0.25250  1.0 3.0
   46    44   -47    49   0.23450  1.0 1.0
   46    44   -47    49   0.02050 -1.0 2.0
   46    44   -47    49   0.25250  1.0 3.0
   46    48    54    55   3.62500 -1.0 2.0
   46    48    54    61   3.62500 -1.0 2.0
   46    48    71    64   3.62500 -1.0 2.0
   46    48   -71    76   3.62500 -1.0 2.0
   46    52    59    60  -0.11600  1.0 1.0
   46    52    59    60  -0.09450 -1.0 2.0
   46    52    59    60   0.21250  1.0 3.0
   48    46    56    49  -0.03700  1.0 1.0
   48    46    56    49   0.37200 -1.0 2.0
   48    46    56    49  -0.47300  1.0 3.0
   48    46    56    57   0.43200  1.0 3.0
   48    46    56    58   0.43200  1.0 3.0
   48    46    52    33  -0.03700  1.0 1.0
   48    46    52    33   0.37200 -1.0 2.0
   48    46    52    33  -0.47300  1.0 3.0
   48    46    52    53   0.43200  1.0 3.0
   48    46    52    59   1.13150  1.0 1.0
   48    46    52    59  -1.01400 -1.0 2.0
   48    54    61    62   3.62500 -1.0 2.0
   48    54    61    63   3.62500 -1.0 2.0
   48    71    76    77   0.00000  1.0 1.0
   48    71    76    78   0.00000  1.0 1.0
   48    71    76    47   0.18550 -1.0 2.0
   48    71    76    47   0.14000  1.0 3.0
   54    48    71    64   3.62500 -1.0 2.0
   54    48    71    76   3.62500 -1.0 2.0
   54    61   -62    64   3.62500 -1.0 2.0
   54    61    62    66   3.62500 -1.0 2.0
   54    61    63    67   1.63200 -1.0 2.0
   55    54    61    62   3.62500 -1.0 2.0
   55    54    61    63   3.62500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    71   3.62500 -1.0 2.0
   61    62    66    72   1.63200 -1.0 2.0
   61    63    67    68   0.08050  1.0 3.0
   61    63    67    69   0.08050  1.0 3.0
   61    63    67    70   0.08050  1.0 3.0
   62    61    63    67   1.63200 -1.0 2.0
   62    64   -71    48   3.62500 -1.0 2.0
   62    64    71    76   3.62500 -1.0 2.0
   62    66    72    73   0.08050  1.0 3.0
   62    66    72    74   0.08050  1.0 3.0
   62    66    72    75   0.08050  1.0 3.0
   64    62    66    72   1.63200 -1.0 2.0
   64    71    76    77   0.00000  1.0 1.0
   64    71    76    78   0.00000  1.0 1.0
   64    71    76    47   0.18550 -1.0 2.0
   64    71    76    47   0.14000  1.0 3.0
   65    64    71    48   3.62500 -1.0 2.0
   65    64    71    76   3.62500 -1.0 2.0
   71    48    54    55   3.62500 -1.0 2.0
   71    48   -54    61   3.62500 -1.0 2.0
   71    76   -47    44   0.82600  1.0 1.0
   71    76   -47    44  -0.32100 -1.0 2.0
   71    76   -47    44   1.02000  1.0 3.0
   71    76    47    49   0.82600  1.0 1.0
   71    76    47    49  -0.32100 -1.0 2.0
   71    76    47    49   1.02000  1.0 3.0
   76    47    49    50   0.28000  1.0 3.0
   76    47    49    51   0.28000  1.0 3.0
   76    47    49    56   0.23450  1.0 1.0
   76    47    49    56   0.02050 -1.0 2.0
   76    47    49    56   0.25250  1.0 3.0
   77    76    47    44   0.28000  1.0 3.0
   77    76    47    49   0.28000  1.0 3.0
   78    76    47    44   0.28000  1.0 3.0
   78    76    47    49   0.28000  1.0 3.0
   47    44   -46    48   0.83750  1.0 1.0
   47    44   -46    48   0.32200 -1.0 2.0
   47    44   -46    48   0.70600  1.0 3.0
   47    44   -46    56   1.53400  1.0 1.0
   47    44   -46    56  -0.09950 -1.0 2.0
   47    44   -46    56   0.05700  1.0 3.0
   47    44    46    52   1.53400  1.0 1.0
   47    44    46    52  -0.09950 -1.0 2.0
   47    44    46    52   0.05700  1.0 3.0
   47    49   -56    46   1.53400  1.0 1.0
   47    49   -56    46  -0.09950 -1.0 2.0
   47    49   -56    46   0.05700  1.0 3.0
   47    49    56    57   0.15000  1.0 3.0
   47    49    56    58   0.15000  1.0 3.0
   50    49    56    46   0.15000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   51    49    56    46   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   56    46    48    54   0.04150 -1.0 2.0
   56    46    48    71   0.04150 -1.0 2.0
   56    46    52    33   0.56750  1.0 1.0
   56    46    52    33  -0.07550 -1.0 2.0
   56    46    52    33   0.20000  1.0 3.0
   56    46    52    53   0.15000  1.0 3.0
   56    46    52    59   0.86500  1.0 1.0
   56    46    52    59  -0.17500 -1.0 2.0
   56    46    52    59   0.20800  1.0 3.0
   66    62    64    65   3.62500 -1.0 2.0
   66    62    64    71   3.62500 -1.0 2.0
   63    61    62    64   3.62500 -1.0 2.0
   63    61    62    66   3.62500 -1.0 2.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33   -38    41   0.56750  1.0 1.0
   52    33   -38    41  -0.07550 -1.0 2.0
   52    33   -38    41   0.20000  1.0 3.0
   52    46    48    54   0.04150 -1.0 2.0
   52    46    48    71   0.04150 -1.0 2.0
   52    46    56    49   0.56750  1.0 1.0
   52    46    56    49  -0.07550 -1.0 2.0
   52    46    56    49   0.20000  1.0 3.0
   52    46    56    57   0.15000  1.0 3.0
   52    46    56    58   0.15000  1.0 3.0
   53    52    59    60   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   54    71    48    46   4.00000 -1.0 2.0
   61    55    54    48   1.10000 -1.0 2.0
   62    63    61    54   4.00000 -1.0 2.0
   64    66    62    61   4.00000 -1.0 2.0
   71    65    64    62   1.10000 -1.0 2.0
   64    76    71    48   4.00000 -1.0 2.0
END
