* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    159    269     474
    1     0 S   NP   _N1_     1    29.08038    93.48764   -24.80376
    2     1 S   H    _HN1     2     1.02781   107.88613  -111.15643
    3     1 S   H    _H1_     3     1.02958    94.07478    -0.39267
    4     1 S   H    _H2_     4     1.02845    14.10541   156.74212
    5     1 S   CT   _CA1     5     1.50107   121.89289   116.79511
    6     5 S   HC   _HA1     6     1.09572   105.25753    68.87897
    7     5 S   CO3  _C1_     7     1.53801   112.32972   -51.44159
    8     7 S   O2Z  _O11     8     1.26368   114.99164   -45.01658
    9     7 S   O2Z  _O12     9     1.26226   114.93506   134.19723
   10     5 S   CT   _CB1    10     1.53105   107.47145  -173.11194
   11    10 S   HC   HB11    11     1.09827   109.46034   -49.99738
   12    10 S   HC   HB12    12     1.09829   110.39850    66.59396
   13    10 S   CT   _CG1    13     1.53034   112.60643  -171.02716
   14    13 S   HC   HG11    14     1.09593   110.50591   -62.30107
   15    13 S   HC   HG12    15     1.09645   109.96949    56.94853
   16    13 S   C    _CD1    16     1.51771   112.23774   177.42048
   17    16 S   O    _OE1    17     1.22774   123.25029    -0.56786
   18    16 S   N    _N2_    18     1.38593   111.77150   178.93946
   19    18 S   H    _HN2    19     1.01586   119.14208     5.35851
   20    18 S   CT1  _CA2    20     1.45594   122.77204   179.08785
   21    20 S   HC   _HA2    21     1.09491   108.81736    15.15863
   22    20 S   C    _C2_    22     1.52814   107.67805  -100.82104
   23    22 S   O    _O2_    23     1.22908   123.14898   -26.24890
   24    20 S   CT   _CB2    32     1.53219   112.37882   138.55296
   25    24 S   HC   HB21    33     1.09680   109.60161    61.13841
   26    24 S   HC   HB22    34     1.09529   111.02191   177.82453
   27    22 S   N    _N3_    24     1.38514   112.20701   156.35540
   28    27 S   H    _HN3    25     1.01647   120.34049    -2.24472
   29    24 S   S    _SG2    35     1.83221   115.06169   -58.51312
   30    27 S   CT   _CA3    26     1.45313   122.80064   178.62428
   31    30 S   HC   HA31    27     1.09555   107.80041   -56.79242
   32    30 S   HC   HA32    28     1.09552   107.69927    59.65617
   33    29 S   CT   _C17    36     1.84367   101.51627   -56.62342
   34    33 S   HC   _H7_    37     1.08837   105.01845    60.82153
   35    30 S   CO3  _C3_    29     1.52956   114.00627  -178.63958
   36    35 S   O2Z  _O31    30     1.26381   115.97508    -0.96550
   37    35 S   O2Z  _O32    31     1.26412   114.45107   179.02281
   38    33 S   CT   _C16    38     1.53987   112.15744   -56.97311
   39    38 S   HC   _H22    39     1.09718   110.16370   -38.94902
   40    38 S   HC   _H23    40     1.09678   108.04824    77.00511
   41    33 S   CT   _C18    74     1.53999   110.29364   176.46748
   42    41 S   HC   _H8_    75     1.09693   109.86412   -57.39095
   43    38 S   NT   _N4_    41     1.46746   114.97194  -159.43332
   44    41 S   OH   _O33    76     1.42297   110.06120    59.06606
   45    44 S   HO   _H24    77     0.97309   107.28921   -53.15352
   46    43 S   CT   _C15    42     1.47822   113.02920  -151.94787
   47    46 S   HC   _H20    43     1.09761   109.97573   -41.23039
   48    46 S   HC   _H21    44     1.09612   108.85158  -155.17436
   49    46 S   CT   _C14    45     1.54131   115.61194    83.26303
   50    49 S   HC   _H18    46     1.09748   109.13194   -75.51800
   51    49 S   HC   _H19    47     1.09600   109.48252   168.12202
   52    49 S   CT   _C13    48     1.53845   112.94229    45.91510
   53    52 S   HC   _H16    49     1.09565   110.19502    68.92554
   54    52 S   HC   _H17    50     1.09557   109.51041  -173.00218
   55    52 S   CT   _C12    51     1.52367   107.42210   -52.71667
   56    55 S   HC   _H6_    52     1.09888   105.49977   -55.01427
   57    55 S   CT   _C11    53     1.53789   117.23558  -169.89946
   58    57 S   HC   _H5_    54     1.09489   111.03228    53.17421
   59    57 S   CT   _C10    55     1.52074   109.71941   176.33019
   60    59 S   HC   _H14    56     1.08840   114.54923   -48.65987
   61    59 S   HC   _H15    57     1.09869   109.88768  -169.53050
   62    59 S   CT   _C9_    58     1.51903    99.33355    75.22550
   63    62 S   HC   _H4_    59     1.09440   111.64821   160.91179
   64    62 S   CO4  _C19    60     1.51842    96.45840    46.50092
   65    64 S   O    _O35    61     1.22023   126.46406   147.83281
   66    62 S   C4T  _C8_    63     1.57999   111.34096   -73.47902
   67    57 S   OS   _O34    62     1.43004   113.02403   -69.95099
   68    66 S   C4T  _C5_    64     1.59992   110.59408   149.08493
   69    68 S   HC   _H3_    65     1.09833   112.44891    19.63346
   70    43 S   C4T  _C7_    69     1.47922   114.48369   -24.19782
   71    68 S   C4T  _C6_    66     1.54867    88.50304   -94.23416
   72    71 S   HC   _H12    67     1.09434   114.04205   101.40908
   73    71 S   HC   _H13    68     1.09587   114.57563  -138.15780
   74    68 S   CT   _C4_    70     1.52610   125.65861   149.45377
   75    74 S   HC   _H9_    71     1.09363   112.54452    47.75192
   76    74 S   HC   _H10    72     1.09446   110.80413   -74.35620
   77    74 S   HC   _H11    73     1.09587   110.16549   167.64911
  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
  14   8   2   1   1  14   5   4  15   6  17   5   1  12   6   5
   9   5   4  11   5   4  15   7  12   7  10   6   5  10   6   5
   2  11   1   9   8   4   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    66    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    46    62    66    68    70    41    42    44    45  
   38    39    40    43    66    41    42    44  
   36    37  
   37  
    0  
   39    40    43    46    47    48    49    55    66    71    70    41    42    44  
   40    43    46    70    41  
   43    46    70    41  
   42    44    45    43    55    59    62    63    64    66    68    69    70    71    74  
   44    45    62    66    68    70  
   46    47    48    49    50    51    52    55    56    57    62    66    68    71    72    73    70  
   45    62    66    68    70  
   66  
   47    48    49    50    51    52    53    54    55    66    71    70  
   48    49    50    51    52    70  
   49    50    51    52    70  
   50    51    52    53    54    55    56    57    70  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    67    66    71    70  
   54    55    56    57    70  
   55    56    57    70  
   56    57    58    59    60    61    62    64    67    66    68    71    72    73    70  
   57    58    59    67    66    71    70  
   58    59    60    61    62    63    64    65    67    66    71    70  
   59    60    61    62    64    67    70  
   60    61    62    63    64    65    67    66    68    70  
   61    62    63    64    67    66  
   62    63    64    67    66  
   63    64    65    67    66    68    69    71    70    74  
   64    65    67    66    68    70  
   65    67    66    68    70  
   67    66  
   68    69    71    72    73    70    74    75    76    77    67  
   70  
   69    71    72    73    70    74    75    76    77  
   71    72    73    70    74    75    76    77  
   74    71    72    73  
   72    73    74    75    76    77  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    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   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   382.000  1.448
   43    46   382.000  1.448
   43    70   305.000  1.456
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    70   260.000  1.519
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    67   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   317.000  1.522
   62    66   260.000  1.519
   64    65   570.000  1.229
   64    67   214.000  1.327
   66    68   268.000  1.529
   66    70   268.000  1.529
   66    41   260.000  1.519
   68    69   340.000  1.090
   68    71   268.000  1.529
   68    74   260.000  1.519
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    70   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   41    42   340.000  1.090
   41    44   320.000  1.410
   44    45   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    56.20000  109.47000
   33    41    66    70.00000  112.98000
   33    41    42    37.50000  110.70000
   33    41    44    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    46    51.80000  107.20000
   38    43    70    51.80000  107.20000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    56.20000  109.47000
   43    70    55    56.20000  109.47000
   43    70    66    65.00000  120.10000
   43    70    71    65.00000  120.10000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    70    70.00000  112.98000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    58.35000  112.70000
   55    57    67    50.00000  109.50000
   55    70    66    65.00000  119.52000
   55    70    71    65.00000  119.52000
   57    55    56    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    62    58.35000  112.70000
   57    67    64    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    63.00000  111.10000
   59    62    66    70.00000  112.98000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    65    80.00000  120.40000
   62    64    67    81.00000  111.40000
   62    66    68    65.00000  119.52000
   62    66    70    65.00000  119.52000
   62    66    41    58.35000  112.70000
   64    62    63    35.00000  109.50000
   67    57    58    35.00000  109.50000
   67    57    59    50.00000  109.50000
   67    64    65    83.00000  123.40000
   66    62    63    45.00000  111.22300
   66    62    64    63.00000  111.10000
   66    68    69    37.50000  110.70000
   66    68    71    63.00000   92.00000
   66    68    74    65.00000  119.52000
   66    70    71    63.00000   92.00000
   66    41    42    45.00000  111.22300
   66    41    44    50.00000  109.50000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    70    63.00000   92.00000
   68    74    75    45.00000  111.22300
   68    74    76    45.00000  111.22300
   68    74    77    45.00000  111.22300
   71    68    69    37.50000  110.70000
   73    71    72    33.00000  107.80000
   70    43    46    51.80000  107.20000
   70    55    56    45.00000  111.22300
   70    55    57    70.00000  112.98000
   70    66    68    63.00000   92.00000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   74    68    69    45.00000  112.72800
   74    68    71    65.00000  119.52000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    66    68    65.00000  119.52000
   41    66    70    65.00000  119.52000
   41    44    45    55.00000  108.50000
   44    41    42    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    66   0.44750  1.0 1.0
   29    33    41    66  -0.17800 -1.0 2.0
   29    33    41    66   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    38    43    46   0.23450  1.0 1.0
   33    38    43    46   0.02050 -1.0 2.0
   33    38    43    46   0.25250  1.0 3.0
   33    38    43    70   0.23450  1.0 1.0
   33    38    43    70   0.02050 -1.0 2.0
   33    38    43    70   0.25250  1.0 3.0
   33    41    44    45  -0.11600  1.0 1.0
   33    41    44    45  -0.09450 -1.0 2.0
   33    41    44    45   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    43   0.15000  1.0 3.0
   34    33    41    66   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.23400  1.0 3.0
   38    33    41    66   0.31550 -1.0 2.0
   38    33    41    66   0.11250  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.86500  1.0 1.0
   38    33    41    44  -0.17500 -1.0 2.0
   38    33    41    44   0.20800  1.0 3.0
   38    43    46    47   0.28000  1.0 3.0
   38    43    46    48   0.28000  1.0 3.0
   38    43    46    49   0.23450  1.0 1.0
   38    43    46    49   0.02050 -1.0 2.0
   38    43    46    49   0.25250  1.0 3.0
   38    43    70    55   0.23450  1.0 1.0
   38    43    70    55   0.02050 -1.0 2.0
   38    43    70    55   0.25250  1.0 3.0
   38    43   -70    66   0.23450  1.0 1.0
   38    43   -70    66   0.02050 -1.0 2.0
   38    43   -70    66   0.25250  1.0 3.0
   38    43    70    71   0.23450  1.0 1.0
   38    43    70    71   0.02050 -1.0 2.0
   38    43    70    71   0.25250  1.0 3.0
   39    38    43    46   0.28000  1.0 3.0
   39    38    43    70   0.28000  1.0 3.0
   40    38    43    46   0.28000  1.0 3.0
   40    38    43    70   0.28000  1.0 3.0
   43    46    49    50   0.15000  1.0 3.0
   43    46    49    51   0.15000  1.0 3.0
   43    46    49    52   1.53400  1.0 1.0
   43    46    49    52  -0.09950 -1.0 2.0
   43    46    49    52   0.05700  1.0 3.0
   46    43    70    55   0.23450  1.0 1.0
   46    43    70    55   0.02050 -1.0 2.0
   46    43    70    55   0.25250  1.0 3.0
   46    43    70    66   0.23450  1.0 1.0
   46    43    70    66   0.02050 -1.0 2.0
   46    43    70    66   0.25250  1.0 3.0
   46    43    70    71   0.23450  1.0 1.0
   46    43    70    71   0.02050 -1.0 2.0
   46    43    70    71   0.25250  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49   -52    55   0.56750  1.0 1.0
   46    49   -52    55  -0.07550 -1.0 2.0
   46    49   -52    55   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.56750  1.0 1.0
   49    52    55    57  -0.07550 -1.0 2.0
   49    52    55    57   0.20000  1.0 3.0
   49    52    55    70   0.31550 -1.0 2.0
   49    52    55    70   0.11250  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.56750  1.0 1.0
   52    55    57    59  -0.07550 -1.0 2.0
   52    55    57    59   0.20000  1.0 3.0
   52    55    57    67   0.62750  1.0 1.0
   52    55    57    67  -0.30950 -1.0 2.0
   52    55    57    67   0.27300  1.0 3.0
   52    55   -70    43   1.53400  1.0 1.0
   52    55   -70    43  -0.09950 -1.0 2.0
   52    55   -70    43   0.05700  1.0 3.0
   52    55    70    66   0.04050  1.0 1.0
   52    55    70    66   0.63700 -1.0 2.0
   52    55    70    66   0.17650  1.0 3.0
   52    55    70    71   0.04050  1.0 1.0
   52    55    70    71   0.63700 -1.0 2.0
   52    55    70    71   0.17650  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    70   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    70   0.15000  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57    59    61   0.15000  1.0 3.0
   55    57    59    62   0.56750  1.0 1.0
   55    57    59    62  -0.07550 -1.0 2.0
   55    57    59    62   0.20000  1.0 3.0
   55    57    67    64  -0.25900  1.0 1.0
   55    57    67    64  -0.47000 -1.0 2.0
   55    57    67    64   0.11750  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    67   0.23400  1.0 3.0
   56    55    70    43   0.15000  1.0 3.0
   56    55    70    66   0.00000  1.0 1.0
   56    55    70    71   0.00000  1.0 1.0
   57    55    70    43   1.53400  1.0 1.0
   57    55    70    43  -0.09950 -1.0 2.0
   57    55    70    43   0.05700  1.0 3.0
   57    55    70    66   0.04050  1.0 1.0
   57    55    70    66   0.63700 -1.0 2.0
   57    55    70    66   0.17650  1.0 3.0
   57    55    70    71   0.04050  1.0 1.0
   57    55    70    71   0.63700 -1.0 2.0
   57    55    70    71   0.17650  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59   -62    64  -0.95700  1.0 1.0
   57    59   -62    64  -0.18200 -1.0 2.0
   57    59   -62    64   0.29450  1.0 3.0
   57    59   -62    66   0.31550 -1.0 2.0
   57    59   -62    66   0.11250  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    67    64   0.08050  1.0 3.0
   59    57   -67    64  -0.25900  1.0 1.0
   59    57   -67    64  -0.47000 -1.0 2.0
   59    57   -67    64   0.11750  1.0 3.0
   59    62    64    65   0.30150 -1.0 2.0
   59    62   -64    67   0.36750  1.0 3.0
   59    62    66    68   0.04050  1.0 1.0
   59    62    66    68   0.63700 -1.0 2.0
   59    62    66    68   0.17650  1.0 3.0
   59    62    66    70   0.04050  1.0 1.0
   59    62    66    70   0.63700 -1.0 2.0
   59    62    66    70   0.17650  1.0 3.0
   59    62    66    41   0.56750  1.0 1.0
   59    62    66    41  -0.07550 -1.0 2.0
   59    62    66    41   0.20000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64  -0.11250  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64  -0.11250  1.0 3.0
   61    59    62    66   0.15000  1.0 3.0
   62    64   -67    57   1.63150  1.0 1.0
   62    64   -67    57   2.92000 -1.0 2.0
   62    66    68    69   0.15000  1.0 3.0
   62    66    68    71  -0.70950  1.0 1.0
   62    66    68    71   0.38400 -1.0 2.0
   62    66    68    74   0.56750  1.0 1.0
   62    66    68    74  -0.07550 -1.0 2.0
   62    66    68    74   0.20000  1.0 3.0
   62    66    70    43   1.53400  1.0 1.0
   62    66    70    43  -0.09950 -1.0 2.0
   62    66    70    43   0.05700  1.0 3.0
   62    66   -70    55   0.56750  1.0 1.0
   62    66   -70    55  -0.07550 -1.0 2.0
   62    66   -70    55   0.20000  1.0 3.0
   62    66   -70    71  -0.70950  1.0 1.0
   62    66   -70    71   0.38400 -1.0 2.0
   62    66    41    33   0.56750  1.0 1.0
   62    66    41    33  -0.07550 -1.0 2.0
   62    66    41    33   0.20000  1.0 3.0
   62    66    41    42   0.15000  1.0 3.0
   62    66    41    44   0.86500  1.0 1.0
   62    66    41    44  -0.17500 -1.0 2.0
   62    66    41    44   0.20800  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    67   0.00000  1.0 1.0
   63    62    66    68   0.00000  1.0 1.0
   63    62    66    70   0.00000  1.0 1.0
   63    62    66    41   0.15000  1.0 3.0
   64    62    66    68  -0.95700  1.0 1.0
   64    62    66    68  -0.18200 -1.0 2.0
   64    62    66    68   0.29450  1.0 3.0
   64    62    66    70  -0.95700  1.0 1.0
   64    62    66    70  -0.18200 -1.0 2.0
   64    62    66    70   0.29450  1.0 3.0
   64    62    66    41  -0.95700  1.0 1.0
   64    62    66    41  -0.18200 -1.0 2.0
   64    62    66    41   0.29450  1.0 3.0
   65    64    67    57   3.00000 -1.0 2.0
   67    57    59    60   0.23400  1.0 3.0
   67    57    59    61   0.23400  1.0 3.0
   67    57   -59    62   0.62750  1.0 1.0
   67    57   -59    62  -0.30950 -1.0 2.0
   67    57   -59    62   0.27300  1.0 3.0
   66    62    64    65   0.30150 -1.0 2.0
   66    62    64    67   0.36750  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68    71    73   0.15000  1.0 3.0
   66    68   -71    70   0.00000  1.0 1.0
   66    68    74    75   0.00000  1.0 1.0
   66    68    74    76   0.00000  1.0 1.0
   66    68    74    77   0.00000  1.0 1.0
   66    41    44    45  -0.11600  1.0 1.0
   66    41    44    45  -0.09450 -1.0 2.0
   66    41    44    45   0.21250  1.0 3.0
   68    66    70    43   1.53400  1.0 1.0
   68    66    70    43  -0.09950 -1.0 2.0
   68    66    70    43   0.05700  1.0 3.0
   68    66    70    55  -0.70950  1.0 1.0
   68    66    70    55   0.38400 -1.0 2.0
   68    66   -70    71   0.00000  1.0 1.0
   68    66    41    33   0.04050  1.0 1.0
   68    66    41    33   0.63700 -1.0 2.0
   68    66    41    33   0.17650  1.0 3.0
   68    66    41    42   0.00000  1.0 1.0
   68    66    41    44   0.86500  1.0 1.0
   68    66    41    44  -0.17500 -1.0 2.0
   68    66    41    44   0.20800  1.0 3.0
   68    71   -70    43   1.53400  1.0 1.0
   68    71   -70    43  -0.09950 -1.0 2.0
   68    71   -70    43   0.05700  1.0 3.0
   68    71   -70    55  -0.70950  1.0 1.0
   68    71   -70    55   0.38400 -1.0 2.0
   68    71   -70    66   0.00000  1.0 1.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    70   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   71    68    74    75   0.00000  1.0 1.0
   71    68    74    76   0.00000  1.0 1.0
   71    68    74    77   0.00000  1.0 1.0
   72    71    70    43   0.15000  1.0 3.0
   72    71    70    55   0.15000  1.0 3.0
   72    71   -70    66   0.15000  1.0 3.0
   73    71    70    43   0.15000  1.0 3.0
   73    71    70    55   0.15000  1.0 3.0
   73    71   -70    66   0.15000  1.0 3.0
   70    43    46    47   0.28000  1.0 3.0
   70    43    46    48   0.28000  1.0 3.0
   70    43   -46    49   0.23450  1.0 1.0
   70    43   -46    49   0.02050 -1.0 2.0
   70    43   -46    49   0.25250  1.0 3.0
   70    55    57    58   0.15000  1.0 3.0
   70    55   -57    59   0.31550 -1.0 2.0
   70    55   -57    59   0.11250  1.0 3.0
   70    55    57    67   0.62750  1.0 1.0
   70    55    57    67  -0.30950 -1.0 2.0
   70    55    57    67   0.27300  1.0 3.0
   70    66   -68    69   0.15000  1.0 3.0
   70    66   -68    71   0.00000  1.0 1.0
   70    66    68    74  -0.70950  1.0 1.0
   70    66    68    74   0.38400 -1.0 2.0
   70    66   -41    33   0.04050  1.0 1.0
   70    66   -41    33   0.63700 -1.0 2.0
   70    66   -41    33   0.17650  1.0 3.0
   70    66    41    42   0.00000  1.0 1.0
   70    66    41    44   0.86500  1.0 1.0
   70    66    41    44  -0.17500 -1.0 2.0
   70    66    41    44   0.20800  1.0 3.0
   74    68    71    72   0.15000  1.0 3.0
   74    68    71    73   0.15000  1.0 3.0
   74    68   -71    70  -0.70950  1.0 1.0
   74    68   -71    70   0.38400 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   1.53400  1.0 1.0
   41    33    38    43  -0.09950 -1.0 2.0
   41    33    38    43   0.05700  1.0 3.0
   41    66    68    69   0.15000  1.0 3.0
   41    66    68    71  -0.70950  1.0 1.0
   41    66    68    71   0.38400 -1.0 2.0
   41    66    68    74   0.56750  1.0 1.0
   41    66    68    74  -0.07550 -1.0 2.0
   41    66    68    74   0.20000  1.0 3.0
   41    66   -70    43   1.53400  1.0 1.0
   41    66   -70    43  -0.09950 -1.0 2.0
   41    66   -70    43   0.05700  1.0 3.0
   41    66    70    55   0.56750  1.0 1.0
   41    66    70    55  -0.07550 -1.0 2.0
   41    66    70    55   0.20000  1.0 3.0
   41    66   -70    71  -0.70950  1.0 1.0
   41    66   -70    71   0.38400 -1.0 2.0
   42    41    44    45   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
   62    67    64    65  10.50000 -1.0 2.0
END
