* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    149    209     431
    1     0 S   NP   _N1_     1    28.08346    97.23017   -24.33708
    2     1 S   H    _HN1     2     1.02776   112.38804  -116.92262
    3     1 S   H    _H1_     3     1.02957    77.63040   -11.95695
    4     1 S   H    _H2_     4     1.02835    30.07999   155.82496
    5     1 S   CT   _CA1     5     1.50150   128.68787    94.35328
    6     5 S   HC   _HA1     6     1.09578   105.17655    87.24593
    7     5 S   CO3  _C1_     7     1.53765   112.37764   -32.84562
    8     7 S   O2Z  _O11     8     1.26363   114.98405   -43.00483
    9     7 S   O2Z  _O12     9     1.26237   114.92660   135.96292
   10     5 S   CT   _CB1    10     1.53088   107.39921  -154.90583
   11    10 S   HC   HB11    11     1.09829   109.22216   -50.66423
   12    10 S   HC   HB12    12     1.09814   110.46545    65.85957
   13    10 S   CT   _CG1    13     1.53030   112.72645  -171.75312
   14    13 S   HC   HG11    14     1.09592   110.49664   -66.27404
   15    13 S   HC   HG12    15     1.09663   109.88981    52.92682
   16    13 S   C    _CD1    16     1.51863   112.29692   173.20667
   17    16 S   O    _OE1    17     1.22762   123.27249     1.86404
   18    16 S   N    _N2_    18     1.38569   111.74937  -177.89179
   19    18 S   H    _HN2    19     1.01550   119.08106     3.44037
   20    18 S   CT1  _CA2    20     1.45839   122.80905   177.28509
   21    20 S   HC   _HA2    21     1.09734   108.86785    26.81851
   22    20 S   C    _C2_    22     1.52977   106.94331   -90.18183
   23    22 S   O    _O2_    23     1.22988   123.06030   -27.40026
   24    20 S   CT   _CB2    32     1.53291   112.37068   150.17045
   25    24 S   HC   HB21    33     1.09533   109.78471    53.05211
   26    24 S   HC   HB22    34     1.09389   109.71749   171.73989
   27    22 S   N    _N3_    24     1.38515   112.58492   155.31611
   28    27 S   H    _HN3    25     1.01665   120.32856    -1.98534
   29    24 S   S    _SG2    35     1.82829   110.88773   -67.30071
   30    27 S   CT   _CA3    26     1.45348   122.44492   178.61055
   31    30 S   HC   HA31    27     1.09569   107.76272   -56.44269
   32    30 S   HC   HA32    28     1.09564   107.63762    59.86445
   33    29 S   CT   _C5_    36     1.86074   101.88666  -170.48886
   34    33 S   OM   _O33    37     1.31646   107.36108  -169.59886
   35    30 S   CO3  _C3_    29     1.52880   114.38846  -178.35087
   36    35 S   O2Z  _O31    30     1.26326   116.09252    -0.77934
   37    35 S   O2Z  _O32    31     1.26444   114.39724   179.20132
   38    33 S   CT   _C4_    38     1.53568   110.63175   -51.13094
   39    38 S   HC   _H4_    39     1.09630   112.20971    70.81789
   40    38 S   HC   _H5_    40     1.09848   112.60050  -168.85926
   41    38 S   HC   _H6_    41     1.09908   111.89507   -49.93232
   42    33 S   S    _S1_    42     1.85319   108.18931    72.17451
   43    42 S   CT   _C6_    43     1.82936   101.87858  -174.76868
   44    43 S   HC   _H7_    44     1.09363   108.79980    64.37803
   45    43 S   HC   _H8_    45     1.09433   109.83238   -54.93705
   46    43 S   CT   _C7_    46     1.52764   110.57564  -176.62403
   47    46 S   HC   _H9_    47     1.09564   111.47873   -54.33191
   48    46 S   HC   _H10    48     1.09593   109.09220  -172.91446
   49    46 S   N    _N4_    49     1.45237   112.69251    66.80497
   50    49 S   H    _H11    50     1.01542   117.61444   -88.98299
   51    49 S   C    _C8_    51     1.38532   122.84541    88.02787
   52    51 S   O    _O34    52     1.22789   124.82065     0.49575
   53    51 S   CT   _C9_    53     1.51905   111.76157  -179.85598
   54    53 S   HC   _H12    54     1.09657   107.49156   -59.52977
   55    53 S   HC   _H13    55     1.09656   108.55533    57.06228
   56    53 S   CT   _C10    56     1.52391   112.96453  -179.81233
   57    56 S   HC   _H14    57     1.09535   109.58663   168.97868
   58    56 S   HC   _H15    58     1.09500   111.37857    49.41311
   59    56 S   N    _N5_    59     1.45197   111.74423   -70.55497
   60    59 S   H    _H16    60     1.01550   117.43148    88.26033
   61    59 S   C    _C11    61     1.38358   122.77744   -89.34801
   62    61 S   O    _O35    62     1.23000   124.63915    -1.85678
   63    61 S   CT   _C12    63     1.52872   113.36324   179.05830
   64    63 S   HC   _H3_    64     1.09701   108.41194    32.55203
   65    63 S   CT   _C13    65     1.55750   114.55562   -89.99272
   66    63 S   OH   _O40    83     1.42674   106.87679   146.38149
   67    66 S   HO   _H26    84     0.97282   107.98844    54.84601
   68    65 S   CT   _C14    66     1.54673   108.60569  -177.45624
   69    68 S   HC   _H17    67     1.09552   111.46678    65.12707
   70    68 S   HC   _H18    68     1.09603   110.92975   -55.03750
   71    68 S   HC   _H19    69     1.09578   111.73390  -174.69441
   72    65 S   CT   _C15    70     1.54279   110.68724    64.63263
   73    72 S   HC   _H20    71     1.09481   111.60321   -68.88478
   74    72 S   HC   _H21    72     1.09575   111.43963   171.49522
   75    72 S   HC   _H22    73     1.09566   111.13990    51.87825
   76    65 S   CT   _C16    74     1.54809   111.58464   -57.23453
   77    76 S   HC   _H23    75     1.09530   110.50573    62.67460
   78    76 S   HC   _H24    76     1.09464   111.17300   -57.27450
   79    76 S   OS   _O36    77     1.42439   110.67127  -176.38713
   80    79 S   P2   _P1_    78     1.63168   118.94222  -156.71068
   81    80 S   O2Z  _O39    79     1.51125   108.60688  -174.24085
   82    80 S   O2Z  _O37    80     1.51248   109.61893   -40.39523
   83    80 S   OS   _O38    81     1.63010    98.98404    73.17721
   84    83 S   HO   _H25    82     0.98386   116.37854    77.29949
  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   8   5   4   3
  10   6   2   1   1   5   3   2   1   7   8   5   4   7   4   3
   7   3   8   4   8   5   4   7   4   3   7   3   9   4  16   6
  15   4   1  11   4   3   2   7   3   2   1   7   3   2   5   4
   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    47    48    49  
   44    45    46    47    48    49    50    51  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    52    53  
   48    49    50    51  
   49    50    51  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53    54    55    56    57    58    59  
   53    54    55    56  
   54    55    56    57    58    59    60    61  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    62    63  
   58    59    60    61  
   59    60    61  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63    64    65    68    72    76    66    67  
   63    64    65    66  
   64    65    68    69    70    71    72    73    74    75    76    77    78    79    66    67  
   65    68    72    76    66    67  
   68    69    70    71    72    73    74    75    76    77    78    79    80    66    67  
   67    68    72    76  
    0  
   69    70    71    72    73    74    75    76    77    78    79  
   70    71    72    76  
   71    72    76  
   72    76  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.175000   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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   80   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   81   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   82   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   83   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    42   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   337.000  1.449
   49    50   434.000  1.010
   49    51   490.000  1.335
   51    52   570.000  1.229
   51    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   337.000  1.449
   59    60   434.000  1.010
   59    61   490.000  1.335
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    66   320.000  1.410
   65    68   268.000  1.529
   65    72   268.000  1.529
   65    76   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   320.000  1.410
   79    80   230.000  1.697
   80    81   525.000  1.480
   80    82   525.000  1.480
   80    83   230.000  1.697
   83    84   553.000  0.945
   66    67   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    62.00000   98.90000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    85.00000  114.68000
   42    33    38    75.00000  111.63000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    75.00000  111.63000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    70.00000  110.72300
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    49    50    38.00000  118.40000
   46    49    51    50.00000  121.90000
   48    46    47    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    35.00000  109.50000
   49    51    52    80.00000  122.90000
   49    51    53    70.00000  116.60000
   51    49    50    35.00000  119.80000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    63.00000  111.10000
   53    51    52    80.00000  120.40000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    70.00000  110.72300
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    38.00000  118.40000
   56    59    61    50.00000  121.90000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    80.00000  122.90000
   59    61    63    70.00000  116.60000
   61    59    60    35.00000  119.80000
   61    63    64    35.00000  109.50000
   61    63    65    63.00000  111.10000
   61    63    66    95.00000  109.52300
   63    61    62    80.00000  120.40000
   63    65    68    58.35000  112.70000
   63    65    72    58.35000  112.70000
   63    65    76    58.35000  112.70000
   63    66    67    55.00000  108.50000
   65    63    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    37.50000  110.70000
   65    76    77    37.50000  110.70000
   65    76    78    37.50000  110.70000
   65    76    79    50.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    65    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    65    68    58.35000  112.70000
   76    65    72    58.35000  112.70000
   76    79    80   100.00000  120.50000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    80    81   100.00000  108.23000
   79    80    82   100.00000  108.23000
   79    80    83    45.00000  102.60000
   80    83    84    45.00000  108.50000
   82    80    81   140.00000  119.90000
   83    80    81   100.00000  108.23000
   83    80    82   100.00000  108.23000
   66    63    64    35.00000  109.50000
   66    63    65    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   0.48050  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   0.15000  1.0 3.0
   29    33    42    43   0.08500  1.0 1.0
   29    33    42    43  -0.53150 -1.0 2.0
   29    33    42    43   0.48050  1.0 3.0
   33    42    43    44   0.32350  1.0 3.0
   33    42    43    45   0.32350  1.0 3.0
   33    42    43    46   0.01700  1.0 1.0
   33    42    43    46  -0.23550 -1.0 2.0
   33    42    43    46   0.21350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43   0.13850  1.0 1.0
   34    33    42    43  -1.34450 -1.0 2.0
   34    33    42    43   0.57400  1.0 3.0
   38    33    42    43   0.01700  1.0 1.0
   38    33    42    43  -0.23550 -1.0 2.0
   38    33    42    43   0.21350  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    43    46    47   0.15000  1.0 3.0
   42    43    46    48   0.15000  1.0 3.0
   42    43    46    49   0.56750  1.0 1.0
   42    43    46    49  -0.07550 -1.0 2.0
   42    43    46    49   0.20000  1.0 3.0
   43    46    49    50   0.00000  1.0 1.0
   43    46    49    51  -0.43950  1.0 1.0
   43    46    49    51  -0.08100 -1.0 2.0
   43    46    49    51   0.03350  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   46    49    51    52   3.04450 -1.0 2.0
   46    49    51    53   1.49850  1.0 1.0
   46    49    51    53   1.53950 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   48    46    49    50   0.00000  1.0 1.0
   48    46    49    51   0.00000  1.0 1.0
   49    51    53    54   0.00000  1.0 1.0
   49    51    53    55   0.00000  1.0 1.0
   49    51    53    56   1.39750  1.0 1.0
   49    51    53    56  -0.07950 -1.0 2.0
   49    51    53    56  -0.18750  1.0 3.0
   50    49    51    52   2.45000 -1.0 2.0
   50    49    51    53   2.45000 -1.0 2.0
   51    53    56    57  -0.11250  1.0 3.0
   51    53    56    58  -0.11250  1.0 3.0
   51    53    56    59  -2.10200  1.0 1.0
   51    53    56    59  -0.31600 -1.0 2.0
   51    53    56    59   0.13050  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.30150 -1.0 2.0
   53    56    59    60   0.00000  1.0 1.0
   53    56    59    61  -0.43950  1.0 1.0
   53    56    59    61  -0.08100 -1.0 2.0
   53    56    59    61   0.03350  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    61    62   3.04450 -1.0 2.0
   56    59    61    63   1.49850  1.0 1.0
   56    59    61    63   1.53950 -1.0 2.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   58    56    59    60   0.00000  1.0 1.0
   58    56    59    61   0.00000  1.0 1.0
   59    61    63    64   0.00000  1.0 1.0
   59    61    63    65   1.39750  1.0 1.0
   59    61    63    65  -0.07950 -1.0 2.0
   59    61    63    65  -0.18750  1.0 3.0
   59    61    63    66   0.00000  1.0 1.0
   60    59    61    62   2.45000 -1.0 2.0
   60    59    61    63   2.45000 -1.0 2.0
   61    63    65    68  -0.95700  1.0 1.0
   61    63    65    68  -0.18200 -1.0 2.0
   61    63    65    68   0.29450  1.0 3.0
   61    63    65    72  -0.95700  1.0 1.0
   61    63    65    72  -0.18200 -1.0 2.0
   61    63    65    72   0.29450  1.0 3.0
   61    63    65    76  -0.95700  1.0 1.0
   61    63    65    76  -0.18200 -1.0 2.0
   61    63    65    76   0.29450  1.0 3.0
   61    63    66    67   0.91850  1.0 1.0
   61    63    66    67   0.57950  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.30150 -1.0 2.0
   62    61    63    66   0.30150 -1.0 2.0
   63    65    68    69   0.15000  1.0 3.0
   63    65    68    70   0.15000  1.0 3.0
   63    65    68    71   0.15000  1.0 3.0
   63    65    72    73   0.15000  1.0 3.0
   63    65    72    74   0.15000  1.0 3.0
   63    65    72    75   0.15000  1.0 3.0
   63    65    76    77   0.15000  1.0 3.0
   63    65    76    78   0.15000  1.0 3.0
   63    65    76    79   0.62750  1.0 1.0
   63    65    76    79  -0.30950 -1.0 2.0
   63    65    76    79   0.27300  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   64    63    65    72   0.15000  1.0 3.0
   64    63    65    76   0.15000  1.0 3.0
   64    63    66    67   0.19450  1.0 3.0
   65    63    66    67  -0.11600  1.0 1.0
   65    63    66    67  -0.09450 -1.0 2.0
   65    63    66    67   0.21250  1.0 3.0
   65    76    79    80  -2.65550  1.0 1.0
   65    76    79    80  -0.22350 -1.0 2.0
   65    76    79    80   0.24150  1.0 3.0
   68    65    72    73   0.15000  1.0 3.0
   68    65    72    74   0.15000  1.0 3.0
   68    65    72    75   0.15000  1.0 3.0
   68    65    76    77   0.15000  1.0 3.0
   68    65    76    78   0.15000  1.0 3.0
   68    65    76    79   0.62750  1.0 1.0
   68    65    76    79  -0.30950 -1.0 2.0
   68    65    76    79   0.27300  1.0 3.0
   72    65    68    69   0.15000  1.0 3.0
   72    65    68    70   0.15000  1.0 3.0
   72    65    68    71   0.15000  1.0 3.0
   72    65    76    77   0.15000  1.0 3.0
   72    65    76    78   0.15000  1.0 3.0
   72    65    76    79   0.62750  1.0 1.0
   72    65    76    79  -0.30950 -1.0 2.0
   72    65    76    79   0.27300  1.0 3.0
   76    65    68    69   0.15000  1.0 3.0
   76    65    68    70   0.15000  1.0 3.0
   76    65    68    71   0.15000  1.0 3.0
   76    65    72    73   0.15000  1.0 3.0
   76    65    72    74   0.15000  1.0 3.0
   76    65    72    75   0.15000  1.0 3.0
   76    79    80    81   0.00000  1.0 1.0
   76    79    80    82   0.00000  1.0 1.0
   76    79    80    83   0.05050  1.0 1.0
   76    79    80    83  -1.30700 -1.0 2.0
   76    79    80    83   0.91550  1.0 3.0
   77    76    79    80   0.03000  1.0 3.0
   78    76    79    80   0.03000  1.0 3.0
   79    80    83    84   0.00000  1.0 1.0
   81    80    83    84   0.00000  1.0 1.0
   82    80    83    84   0.00000  1.0 1.0
   66    63    65    68   0.86500  1.0 1.0
   66    63    65    68  -0.17500 -1.0 2.0
   66    63    65    68   0.20800  1.0 3.0
   66    63    65    72   0.86500  1.0 1.0
   66    63    65    72  -0.17500 -1.0 2.0
   66    63    65    72   0.20800  1.0 3.0
   66    63    65    76   0.86500  1.0 1.0
   66    63    65    76  -0.17500 -1.0 2.0
   66    63    65    76   0.20800  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
   50    51    49    46   1.00000 -1.0 2.0
   49    53    51    52  10.50000 -1.0 2.0
   60    61    59    56   1.00000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
END
