* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    157    233     457
    1     0 S   NP   _N1_     1    28.67138    98.46596   -22.86384
    2     1 S   H    _HN1     2     1.02835    43.29380   156.93782
    3     1 S   H    _H1_     3     1.02776   110.31151  -108.19277
    4     1 S   H    _H2_     4     1.02958    65.26994    -6.72182
    5     1 S   CT   _CA1     5     1.50126   135.90358    87.62851
    6     5 S   HC   _HA1     6     1.09574   105.22173   102.48353
    7     5 S   CO3  _C1_     7     1.53790   112.36679   -17.72008
    8     7 S   O2Z  _O11     8     1.26365   114.99816   -43.89975
    9     7 S   O2Z  _O12     9     1.26236   114.93310   135.22651
   10     5 S   CT   _CB1    10     1.53098   107.42476  -139.59915
   11    10 S   HC   HB11    11     1.09826   109.34483   -50.51712
   12    10 S   HC   HB12    12     1.09816   110.42012    66.04212
   13    10 S   CT   _CG1    13     1.53015   112.66534  -171.58996
   14    13 S   HC   HG11    14     1.09595   110.48393   -64.12126
   15    13 S   HC   HG12    15     1.09656   109.92723    55.07667
   16    13 S   C    _CD1    16     1.51837   112.32762   175.45502
   17    16 S   O    _OE1    17     1.22748   123.29103    -0.09065
   18    16 S   N    _N2_    18     1.38536   111.69193   179.86878
   19    18 S   H    _HN2    19     1.01571   119.05859     4.64414
   20    18 S   CT1  _CA2    20     1.45881   122.95594   177.98792
   21    20 S   HC   _HA2    21     1.09691   109.01751    23.04896
   22    20 S   C    _C2_    22     1.52840   106.40307   -94.43040
   23    22 S   O    _O2_    23     1.23020   122.76978   -34.48238
   24    20 S   CT   _CB2    32     1.53151   112.11054   146.26474
   25    24 S   HC   HB21    33     1.09575   109.93178    54.51682
   26    24 S   HC   HB22    34     1.09510   110.04316   173.56197
   27    22 S   N    _N3_    24     1.38461   112.87977   147.94142
   28    27 S   H    _HN3    25     1.01629   120.40816    -2.16736
   29    24 S   S    _SG2    35     1.82868   111.01259   -66.13584
   30    27 S   CT   _CA3    26     1.45406   122.25983   178.91935
   31    30 S   HC   HA31    27     1.09580   107.35471   -62.75332
   32    30 S   HC   HA32    28     1.09558   108.02354    53.51081
   33    29 S   CT   _C23    36     1.83920    99.78159   166.98102
   34    33 S   HC   _H3_    37     1.09520   105.90612   -53.06748
   35    30 S   CO3  _C3_    29     1.52857   114.41310   175.24878
   36    35 S   O2Z  _O31    30     1.26327   116.03320   -13.28854
   37    35 S   O2Z  _O32    31     1.26439   114.48676   166.59615
   38    33 S   CM   _C11    38     1.53447   111.23165    68.18858
   39    33 S   CT   _C22    83     1.53059   108.87578  -166.48712
   40    39 S   HC   _H48    84     1.09559   112.72344   -57.11092
   41    39 S   HC   _H49    85     1.09598   110.57091  -177.85342
   42    39 S   HC   _H50    86     1.09639   110.81100    63.46713
   43    38 S   CMA  _C12    39     1.36809   121.86582  -112.04569
   44    43 S   OM   _O21    40     1.26931   125.67640    -2.98741
   45    38 S   CT   _C21    79     1.51895   115.36957    68.60362
   46    45 S   HC   _H45    80     1.09400   110.88078   -60.08681
   47    45 S   HC   _H46    81     1.09304   113.89387   179.59895
   48    45 S   HC   _H47    82     1.09425   110.48606    60.37888
   49    43 S   OS   _O25    41     1.41691   112.52943   179.17102
   50    49 S   CT   _C18    42     1.44854   113.72866  -120.84694
   51    50 S   HC   _H38    43     1.09832   111.71123   -13.96408
   52    50 S   CT   _C14    44     1.55411   105.04772   104.37884
   53    52 S   HC   _H33    45     1.09926   108.70894    56.23500
   54    52 S   HC   _H34    46     1.09800   109.48213   -56.75096
   55    50 S   CT   _C17    60     1.56109   108.67196  -134.58273
   56    55 S   HC   _H37    61     1.09795   108.54598   -74.94055
   57    52 S   CM   _C6_    47     1.50852   114.85276  -179.52729
   58    55 S   CM   _C8_    62     1.49571   113.92990    47.33216
   59    57 S   CM   _C4_    48     1.34630   119.20651   -94.93571
   60    59 S   HC   _H27    49     1.08983   118.09533    -4.15143
   61    58 S   CO4  _C9_    63     1.47109   110.18195   102.71325
   62    61 S   O    _O22    64     1.21760   127.15026  -170.72193
   63    58 S   CM   _C10    66     1.33650   128.24794   -81.64833
   64    63 S   HC   _H29    67     1.08492   120.71212     2.61524
   65    63 S   HC   _H30    68     1.08486   121.83084  -177.93143
   66    57 S   CT   _C19    75     1.50163   115.29670    81.35649
   67    66 S   HC   _H39    76     1.09435   110.71085   -60.71880
   68    66 S   HC   _H40    77     1.09204   113.23733   178.20028
   69    66 S   HC   _H41    78     1.09482   109.64623    58.65123
   70    59 S   CT   _C13    50     1.50205   127.33132   167.32725
   71    70 S   HC   _H31    51     1.09529   110.55819    39.81192
   72    70 S   HC   _H32    52     1.09746   107.56566   155.32227
   73    85 S   OS   _O23    65     1.44531   108.22522   124.62544
   74    70 S   CT   _C16    53     1.54662   112.82520   -84.20585
   75    74 S   HC   _H36    54     1.09760   107.26887  -169.45592
   76    74 S   CM   _C7_    55     1.52476   115.10860   -49.19576
   77    74 S   OH   _O24    73     1.42648   110.84728    77.13628
   78    77 S   HO   _H52    74     0.97233   107.77340    53.53007
   79    76 S   CM   _C5_    56     1.35225   127.17249    85.13428
   80    79 S   HC   _H28    57     1.09028   117.40609   179.28893
   81    76 S   CT   _C20    69     1.50978   113.67534   -94.72834
   82    81 S   HC   _H42    70     1.09498   110.25686   -61.81553
   83    81 S   HC   _H43    71     1.09511   112.59022   178.05117
   84    81 S   HC   _H44    72     1.09501   110.18616    58.06227
   85    79 S   CT   _C15    58     1.51232   128.86330    -2.88812
   86    85 S   HC   _H35    59     1.08736   111.66859     9.60529
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  16   8  14   5   4  14   7  10   9  12   5   8   3   4   1
   1   4   2   1   1   9   5   4   5  11   5  10   3   1   7   3
   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    55    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    57    85    55    56    58  
   51    52    53    54    57    59    79    85    86    55    56    58    61    73    63    66  
   52    53    54    57    85    55    56    58  
   53    54    57    59    60    70    85    55    56    58    66    67    68    69  
   54    57    59    55    66  
   57    59    55    66  
   56    58    61    62    73    63    64    65    57    76    79    80    85    86  
   58    61    73    63    79    85    86  
   59    60    70    71    72    74    66    67    68    69  
   61    62    73    63    64    65    79    85    86  
   60    70    71    72    74    75    76    77    66    67    68    69  
   70    71    72    74    66  
   62    73    63    64    65    79    85    86  
   73    63    85  
   64    65    73    85  
   65  
    0  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    74    75    76    79    81    77    78  
   72    74    75    76    77  
   74    75    76    77  
   76    79    80    85    86  
   75    76    79    80    85    81    82    83    84    77    78  
   76    79    81    77    78  
   79    80    85    86    81    82    83    84    77    78  
   78    79    81  
    0  
   80    85    86    81    82    83    84  
   85    86    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   317.000  1.510
   57    59   549.000  1.340
   57    66   317.000  1.510
   59    60   340.000  1.080
   59    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   317.000  1.510
   74    77   320.000  1.410
   76    79   549.000  1.340
   76    81   317.000  1.510
   79    80   340.000  1.080
   79    85   317.000  1.510
   85    86   340.000  1.090
   85    55   268.000  1.529
   85    73   320.000  1.410
   55    56   340.000  1.090
   55    58   317.000  1.510
   58    61   320.000  1.462
   58    63   549.000  1.340
   61    62   570.000  1.229
   61    73   214.000  1.327
   63    64   340.000  1.080
   63    65   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   77    78   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    57    70.00000  112.02700
   50    55    85    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    58    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    57    59    70.00000  124.00000
   52    57    66    65.00000  117.92700
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   57    59    60    35.00000  120.00000
   57    59    70    70.00000  124.00000
   57    66    67    35.00000  109.50000
   57    66    68    35.00000  109.50000
   57    66    69    35.00000  109.50000
   59    70    71    35.00000  109.50000
   59    70    72    35.00000  109.50000
   59    70    74    70.00000  112.02700
   70    59    60    35.00000  117.00000
   70    74    75    37.50000  110.70000
   70    74    76    70.00000  112.02700
   70    74    77    50.00000  109.50000
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    76    79    70.00000  124.00000
   74    76    81    65.00000  117.92700
   74    77    78    55.00000  108.50000
   76    74    75    35.00000  109.50000
   76    79    80    35.00000  120.00000
   76    79    85    70.00000  124.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    85    86    35.00000  109.50000
   79    85    55    70.00000  112.02700
   79    85    73    85.00000  110.90400
   85    79    80    35.00000  117.00000
   85    55    56    37.50000  110.70000
   85    55    58    70.00000  112.02700
   85    73    61    83.00000  116.90000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    85    86    37.50000  110.70000
   55    58    61    65.00000  116.34900
   55    58    63    70.00000  124.00000
   58    55    56    35.00000  109.50000
   58    61    62    80.00000  123.72100
   58    61    73    90.00000  111.29400
   58    63    64    35.00000  120.00000
   58    63    65    35.00000  120.00000
   73    85    86    35.00000  109.50000
   73    85    55    50.00000  109.50000
   73    61    62    83.00000  123.40000
   63    58    61    65.00000  118.96000
   65    63    64    35.00000  117.00000
   81    76    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    90.00000  110.39200
   66    57    59    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    55  -0.46850  1.0 1.0
   43    49    50    55   0.09300 -1.0 2.0
   43    49    50    55  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    57   0.61850  1.0 1.0
   49    50    52    57  -0.22750 -1.0 2.0
   49    50    52    57   0.15300  1.0 3.0
   49    50    55    85   0.62750  1.0 1.0
   49    50    55    85  -0.30950 -1.0 2.0
   49    50    55    85   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    58   0.61850  1.0 1.0
   49    50    55    58  -0.22750 -1.0 2.0
   49    50    55    58   0.15300  1.0 3.0
   50    52    57    59   0.09850  1.0 1.0
   50    52    57    59   0.15250 -1.0 2.0
   50    52    57    59  -0.50650  1.0 3.0
   50    52    57    66   0.46850  1.0 1.0
   50    52    57    66   0.08550 -1.0 2.0
   50    52    57    66   0.09800  1.0 3.0
   50    55    58    61   0.09700  1.0 1.0
   50    55    58    61   0.15600 -1.0 2.0
   50    55    58    61  -0.50800  1.0 3.0
   50    55    58    63   0.09850  1.0 1.0
   50    55    58    63   0.15250 -1.0 2.0
   50    55    58    63  -0.50650  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    55    85   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    58   0.15000  1.0 3.0
   52    50    55    85   0.56750  1.0 1.0
   52    50    55    85  -0.07550 -1.0 2.0
   52    50    55    85   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    58   0.34400  1.0 1.0
   52    50    55    58   0.09450 -1.0 2.0
   52    50    55    58   0.11100  1.0 3.0
   52    57    59    60   7.00000 -1.0 2.0
   52    57    59    70   7.00000 -1.0 2.0
   52    57    66    67   0.34800  1.0 3.0
   52    57    66    68   0.34800  1.0 3.0
   52    57    66    69   0.34800  1.0 3.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    66   0.34800  1.0 3.0
   54    52    57    59   0.00000  1.0 1.0
   54    52    57    66   0.34800  1.0 3.0
   57    59    70    71   0.00000  1.0 1.0
   57    59    70    72   0.00000  1.0 1.0
   57    59    70    74   0.09850  1.0 1.0
   57    59    70    74   0.15250 -1.0 2.0
   57    59    70    74  -0.50650  1.0 3.0
   59    57    66    67   0.00000  1.0 1.0
   59    57    66    68   0.00000  1.0 1.0
   59    57    66    69   0.00000  1.0 1.0
   59    70    74    75   0.15000  1.0 3.0
   59    70    74    76   0.31000  1.0 1.0
   59    70    74    76   0.14700 -1.0 2.0
   59    70    74    76   0.07550  1.0 3.0
   59    70    74    77   1.05650  1.0 1.0
   59    70    74    77   0.15600 -1.0 2.0
   59    70    74    77   0.53150  1.0 3.0
   60    59    70    71   0.33100  1.0 3.0
   60    59    70    72   0.33100  1.0 3.0
   60    59    70    74   0.00000  1.0 1.0
   70    74    76    79   0.09850  1.0 1.0
   70    74    76    79   0.15250 -1.0 2.0
   70    74    76    79  -0.50650  1.0 3.0
   70    74    76    81   0.46850  1.0 1.0
   70    74    76    81   0.08550 -1.0 2.0
   70    74    76    81   0.09800  1.0 3.0
   70    74    77    78  -0.11600  1.0 1.0
   70    74    77    78  -0.09450 -1.0 2.0
   70    74    77    78   0.21250  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    77   0.23400  1.0 3.0
   72    70    74    75   0.15000  1.0 3.0
   72    70    74    76   0.15000  1.0 3.0
   72    70    74    77   0.23400  1.0 3.0
   74    76    79    80   7.00000 -1.0 2.0
   74    76    79    85   7.00000 -1.0 2.0
   74    76    81    82   0.34800  1.0 3.0
   74    76    81    83   0.34800  1.0 3.0
   74    76    81    84   0.34800  1.0 3.0
   75    74    76    79   0.00000  1.0 1.0
   75    74    76    81   0.34800  1.0 3.0
   75    74    77    78   0.19450  1.0 3.0
   76    74    77    78  -0.07800  1.0 1.0
   76    74    77    78  -0.21500 -1.0 2.0
   76    74    77    78  -0.03150  1.0 3.0
   76    79    85    86   0.00000  1.0 1.0
   76    79    85    55   0.09850  1.0 1.0
   76    79    85    55   0.15250 -1.0 2.0
   76    79    85    55  -0.50650  1.0 3.0
   76    79    85    73   0.39000  1.0 1.0
   76    79    85    73  -0.05800 -1.0 2.0
   76    79    85    73  -0.55150  1.0 3.0
   79    76    81    82   0.00000  1.0 1.0
   79    76    81    83   0.00000  1.0 1.0
   79    76    81    84   0.00000  1.0 1.0
   79    85    55    50   0.34400  1.0 1.0
   79    85    55    50   0.09450 -1.0 2.0
   79    85    55    50   0.11100  1.0 3.0
   79    85    55    56   0.15000  1.0 3.0
   79    85    55    58   0.31000  1.0 1.0
   79    85    55    58   0.14700 -1.0 2.0
   79    85    55    58   0.07550  1.0 3.0
   79    85    73    61  -0.82050  1.0 1.0
   79    85    73    61   0.00600 -1.0 2.0
   79    85    73    61   0.04400  1.0 3.0
   80    79    85    86   0.33100  1.0 3.0
   80    79    85    55   0.00000  1.0 1.0
   80    79    85    73   0.00000  1.0 1.0
   85    55   -58    61   0.09700  1.0 1.0
   85    55   -58    61   0.15600 -1.0 2.0
   85    55   -58    61  -0.50800  1.0 3.0
   85    55    58    63   0.09850  1.0 1.0
   85    55    58    63   0.15250 -1.0 2.0
   85    55    58    63  -0.50650  1.0 3.0
   86    85    55    50   0.15000  1.0 3.0
   86    85    55    56   0.15000  1.0 3.0
   86    85    55    58   0.15000  1.0 3.0
   86    85    73    61   0.08050  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    57   0.34400  1.0 1.0
   55    50    52    57   0.09450 -1.0 2.0
   55    50    52    57   0.11100  1.0 3.0
   55    85   -73    61  -0.25900  1.0 1.0
   55    85   -73    61  -0.47000 -1.0 2.0
   55    85   -73    61   0.11750  1.0 3.0
   55    58    61    62  -0.64400  1.0 1.0
   55    58    61    62   0.26850 -1.0 2.0
   55    58   -61    73  -0.15000  1.0 1.0
   55    58   -61    73   0.89550 -1.0 2.0
   55    58   -61    73  -0.06900  1.0 3.0
   55    58    63    64   7.00000 -1.0 2.0
   55    58    63    65   7.00000 -1.0 2.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    58    63   0.00000  1.0 1.0
   58    61   -73    85   2.00000 -1.0 2.0
   61    58    63    64   7.00000 -1.0 2.0
   61    58    63    65   7.00000 -1.0 2.0
   62    61    73    85   3.00000 -1.0 2.0
   73    85    55    50   0.62750  1.0 1.0
   73    85    55    50  -0.30950 -1.0 2.0
   73    85    55    50   0.27300  1.0 3.0
   73    85    55    56   0.23400  1.0 3.0
   73    85   -55    58   0.61850  1.0 1.0
   73    85   -55    58  -0.22750 -1.0 2.0
   73    85   -55    58   0.15300  1.0 3.0
   63    58    61    62   1.00000 -1.0 2.0
   63    58    61    73  -0.56150  1.0 1.0
   63    58    61    73   2.19150 -1.0 2.0
   81    76    79    80   7.00000 -1.0 2.0
   81    76    79    85   7.00000 -1.0 2.0
   77    74    76    79   0.67800  1.0 1.0
   77    74    76    79   0.47050 -1.0 2.0
   77    74    76    79  -0.62500  1.0 3.0
   77    74    76    81   0.18000  1.0 1.0
   77    74    76    81   0.16450 -1.0 2.0
   77    74    76    81   0.04450  1.0 3.0
   66    57    59    60   7.00000 -1.0 2.0
   66    57    59    70   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   52    66    57    59   1.10000 -1.0 2.0
   70    60    59    57   1.10000 -1.0 2.0
   74    81    76    79   1.10000 -1.0 2.0
   85    80    79    76   1.10000 -1.0 2.0
   55    61    58    63   1.10000 -1.0 2.0
   58    73    61    62  10.50000 -1.0 2.0
   64    65    63    58   1.10000 -1.0 2.0
END
