* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    155    240     452
    1     0 S   NP   _N1_     1    30.86120   100.14680   -23.81685
    2     1 S   H    _HN1     2     1.03471   141.68044   -81.36608
    3     1 S   H    _H1_     3     1.02839    37.55037   -45.79538
    4     1 S   H    _H2_     4     1.02760    78.63496   174.73638
    5     1 S   CT   _CA1     5     1.49984   100.46559    65.18911
    6     5 S   HC   _HA1     6     1.09566   104.87415   142.29074
    7     5 S   CO3  _C1_     7     1.53679   113.47104    21.86679
    8     7 S   O2Z  _O11     8     1.26371   115.11168   -31.51840
    9     7 S   O2Z  _O12     9     1.26281   114.95950   147.90565
   10     5 S   CT   _CB1    10     1.53092   107.52159   -99.38150
   11    10 S   HC   HB11    11     1.09607   109.47740   -41.68235
   12    10 S   HC   HB12    12     1.09828   110.32137    74.06762
   13    10 S   CT   _CG1    13     1.53220   112.78889  -164.29494
   14    13 S   HC   HG11    14     1.09545   110.96232   -97.74637
   15    13 S   HC   HG12    15     1.09450   111.15077    21.37318
   16    13 S   C    _CD1    16     1.51444   109.69340   142.01421
   17    16 S   O    _OE1    17     1.22791   121.79641    84.23625
   18    16 S   N    _N2_    18     1.38576   112.56653   -92.41159
   19    18 S   H    _HN2    19     1.01588   119.24056    -4.68939
   20    18 S   CT1  _CA2    20     1.46108   123.37727   171.06086
   21    20 S   HC   _HA2    21     1.09739   109.15380   -11.91841
   22    20 S   C    _C2_    22     1.53824   108.18104  -127.15031
   23    22 S   O    _O2_    23     1.23048   122.28696  -151.69273
   24    20 S   CT   _CB2    32     1.53495   112.33159   110.64605
   25    24 S   HC   HB21    33     1.09427   110.03082    56.23172
   26    24 S   HC   HB22    34     1.09412   108.93371   174.81889
   27    22 S   N    _N3_    24     1.38425   113.75574    35.48082
   28    27 S   H    _HN3    25     1.01478   119.23608    -2.10524
   29    24 S   S    _SG2    35     1.82961   111.92027   -66.14184
   30    27 S   CT   _CA3    26     1.45341   123.30563   177.78503
   31    30 S   HC   HA31    27     1.09551   107.25953   -69.14080
   32    30 S   HC   HA32    28     1.09557   108.16734    47.21750
   33    29 S   CT   _C17    36     1.87329   102.25983   171.79197
   34    30 S   CO3  _C3_    29     1.53015   114.37147   169.32250
   35    34 S   O2Z  _O31    30     1.26422   116.30099    -4.52610
   36    34 S   O2Z  _O32    31     1.26394   114.48049   175.60586
   37    33 S   CT   _C10    37     1.56501   111.33563   -68.75682
   38    37 S   HC   _H31    38     1.08987   109.99271  -158.75598
   39    37 S   HC   _H32    39     1.10069   106.77389    91.21919
   40    33 S   CT   _C14    59     1.57339   107.00523   167.85647
   41    40 S   HC   _H36    60     1.08859   108.75894    57.73847
   42    33 S   CT   _C20    78     1.55016   108.24967    51.22656
   43    42 S   HC   _H44    79     1.09588   112.15447    54.05302
   44    42 S   HC   _H45    80     1.09495   112.29148   -67.56707
   45    42 S   HC   _H46    81     1.09482   111.52459   174.30120
   46    37 S   CT   _C15    40     1.55059   122.93226   -29.87132
   47    46 S   HC   _H37    41     1.09471   108.01149    60.41640
   48    40 S   OH   _O22    61     1.43915   109.46121   -56.61586
   49    48 S   HO   _H47    62     0.97263   107.48651   172.60782
   50    46 S   CT   _C11    42     1.54625   119.07288   -62.97086
   51    50 S   HC   _H33    43     1.09684   108.77390    58.16804
   52    46 S   OS   _O23    71     1.45875   106.26186   176.37377
   53    50 S   CM   _C4_    44     1.50253   114.41936   176.80941
   54    52 S   CO4  _C7_    72     1.36291   118.02069   -91.07172
   55    54 S   O    _O19    73     1.22305   126.46277     0.57811
   56    53 S   CO4  _C5_    45     1.47482   109.39695   146.36994
   57    56 S   O    _O18    46     1.21746   127.16263   169.64535
   58    53 S   CM   _C6_    68     1.33663   130.37561   -31.51837
   59    58 S   HC   _H25    69     1.08327   121.47248    -0.99308
   60    58 S   HC   _H26    70     1.08580   121.82782   179.01882
   61    54 S   CT   _C18    74     1.49814   109.42679  -179.42088
   62    61 S   HC   _H38    75     1.09290   109.82289   -60.96689
   63    61 S   HC   _H39    76     1.09376   109.36681   179.98022
   64    61 S   HC   _H40    77     1.09293   109.80800    60.92769
   65    56 S   OS   _O20    47     1.35803   107.10466    -9.58476
   66    50 S   CT   _C12    48     1.54038   116.85389   -67.60667
   67    66 S   HC   _H34    49     1.09388   112.42263   -32.07079
   68    66 S   C3T  _C13    50     1.48755   111.00162    95.00232
   69    68 S   HC   _H35    51     1.08298   111.85020    46.20998
   70    68 S   C3T  _C16    52     1.51736   121.98125  -109.49676
   71    70 S   CT   _C9_    53     1.50476   114.70190   144.75481
   72    71 S   HC   _H29    54     1.09675   108.91730   154.09927
   73    71 S   HC   _H30    55     1.09703   111.44474    37.08687
   74    68 S   O3T  _O21    63     1.42940   119.63718  -178.66705
   75    70 S   CT   _C19    64     1.50316   125.26987   -15.25479
   76    75 S   HC   _H41    65     1.09450   112.39906   -27.52716
   77    75 S   HC   _H42    66     1.09562   109.82637  -146.42503
   78    75 S   HC   _H43    67     1.09169   112.00941    94.15477
   79    71 S   CT   _C8_    56     1.54076   111.29729   -85.74594
   80    79 S   HC   _H27    57     1.09796   107.26657  -165.81156
   81    79 S   HC   _H28    58     1.09319   108.30306   -52.02561
  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  13   5   4   3
  19   2   1   1  18   7   6  15   7   6   2   1   1  14   6   5
   1  16   8   8   9   5   4   8   3   4   1   1   3   2   1   1
   6   7   4  11   4  11  10   6   5   5   4   2   1   1   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    79    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    71    79    80    81    40    41    48    49    52    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    53    66    79    40    41    48    52    54    42    43    44    45  
   39    46    47    50    40    52    42  
   46    47    50    40    52    42  
   41    48    49    42    43    44    45    46    70    71    72    73    79    80    81  
   48    49    42    71    79    80    81  
   43    44    45    46    48    79  
   44    45  
   45  
    0  
   47    50    51    53    56    65    66    67    68    58    52    54    55    61  
   50    51    53    66    52    54  
   49    71    79    80    81  
   79  
   51    53    56    57    65    66    67    68    69    70    74    58    59    60    52    54  
   53    56    65    66    67    68    58    52  
   54    55    61    62    63    64    53    66  
   56    57    65    66    67    68    58    59    60  
   55    61    62    63    64  
   61    62    63    64  
   57    65    66    67    68    58    59    60  
   65    66    58  
   59    60    65    66  
   60  
    0  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    70    74  
   67    68    69    70    71    74    75  
   68    69    70    74  
   69    70    71    72    73    79    74    75    76    77    78  
   70    71    74    75  
   71    72    73    79    80    81    74    75    76    77    78  
   72    73    79    80    81    74    75    76    77    78  
   73    79    80    81    74    75  
   79    80    81    74    75  
   75    76    77    78    79  
   76    77    78    79  
   77    78  
   78  
    0  
   80    81  
   81  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.099700   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   0.176200   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   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    66   268.000  1.529
   53    56   320.000  1.462
   53    58   549.000  1.340
   56    57   570.000  1.229
   56    65   214.000  1.327
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   275.000  1.510
   68    69   340.000  1.088
   68    70   260.000  1.509
   68    74   335.000  1.432
   70    71   275.000  1.510
   70    74   335.000  1.432
   70    75   275.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   58    59   340.000  1.080
   58    60   340.000  1.080
   52    54   214.000  1.327
   54    55   570.000  1.229
   54    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    79    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    50    58.35000  112.70000
   37    46    52    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    70.00000  112.02700
   46    50    66    58.35000  112.70000
   46    52    54    83.00000  116.90000
   50    46    47    37.50000  110.70000
   50    53    56    65.00000  116.34900
   50    53    58    70.00000  124.00000
   50    66    65    50.00000  109.50000
   50    66    67    37.50000  110.70000
   50    66    68    70.00000  112.37300
   53    50    51    35.00000  109.50000
   53    56    57    80.00000  123.72100
   53    56    65    90.00000  111.29400
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   56    65    66    83.00000  116.90000
   65    56    57    83.00000  123.40000
   65    66    67    35.00000  109.50000
   65    66    68    50.00000  109.50000
   66    50    51    37.50000  110.70000
   66    50    53    70.00000  112.02700
   66    68    69    40.00000  115.04500
   66    68    70    60.00000  120.94000
   66    68    74    80.00000  116.47100
   68    66    67    45.00000  109.38400
   68    70    71    60.00000  120.94000
   68    70    74    15.00000   60.43100
   68    70    75    60.00000  120.94000
   68    74    70    15.00000   59.14900
   70    68    69    37.50000  117.20000
   70    71    72    45.00000  109.38400
   70    71    73    45.00000  109.38400
   70    71    79    70.00000  112.37300
   70    75    76    45.00000  109.38400
   70    75    77    45.00000  109.38400
   70    75    78    45.00000  109.38400
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    40    58.35000  112.70000
   73    71    72    33.00000  107.80000
   79    71    72    37.50000  110.70000
   79    71    73    37.50000  110.70000
   79    40    41    37.50000  110.70000
   79    40    48    50.00000  109.50000
   81    79    80    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    79    80    37.50000  110.70000
   40    79    81    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   74    68    69    50.00000  114.27700
   74    68    70    15.00000   60.43100
   74    70    71    80.00000  116.47100
   75    70    71    58.35000  112.70000
   75    70    74    80.00000  116.47100
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   58    53    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   52    46    47    35.00000  109.50000
   52    46    50    50.00000  109.50000
   52    54    55    83.00000  123.40000
   52    54    61    81.00000  111.40000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   61    54    55    80.00000  120.40000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    79   0.44750  1.0 1.0
   29    33    40    79  -0.17800 -1.0 2.0
   29    33    40    79   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    50   0.56750  1.0 1.0
   33    37    46    50  -0.07550 -1.0 2.0
   33    37    46    50   0.20000  1.0 3.0
   33    37    46    52   0.62750  1.0 1.0
   33    37    46    52  -0.30950 -1.0 2.0
   33    37    46    52   0.27300  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    79   0.56750  1.0 1.0
   37    33    40    79  -0.07550 -1.0 2.0
   37    33    40    79   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.15000  1.0 3.0
   37    46    50    53   0.34400  1.0 1.0
   37    46    50    53   0.09450 -1.0 2.0
   37    46    50    53   0.11100  1.0 3.0
   37    46    50    66   0.56750  1.0 1.0
   37    46    50    66  -0.07550 -1.0 2.0
   37    46    50    66   0.20000  1.0 3.0
   37    46    52    54  -0.25900  1.0 1.0
   37    46    52    54  -0.47000 -1.0 2.0
   37    46    52    54   0.11750  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    50   0.15000  1.0 3.0
   38    37    46    52   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    50   0.15000  1.0 3.0
   39    37    46    52   0.23400  1.0 3.0
   46    50    53    56   0.09700  1.0 1.0
   46    50    53    56   0.15600 -1.0 2.0
   46    50    53    56  -0.50800  1.0 3.0
   46    50    53    58   0.09850  1.0 1.0
   46    50    53    58   0.15250 -1.0 2.0
   46    50    53    58  -0.50650  1.0 3.0
   46    50    66    65   0.62750  1.0 1.0
   46    50    66    65  -0.30950 -1.0 2.0
   46    50    66    65   0.27300  1.0 3.0
   46    50    66    67   0.15000  1.0 3.0
   46    50    66    68   0.47050  1.0 1.0
   46    50    66    68   0.03900 -1.0 2.0
   46    50    66    68   0.20100  1.0 3.0
   46    52    54    55   3.00000 -1.0 2.0
   46    52    54    61   1.63150  1.0 1.0
   46    52    54    61   2.92000 -1.0 2.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    66   0.15000  1.0 3.0
   47    46    52    54   0.08050  1.0 3.0
   50    46    52    54  -0.25900  1.0 1.0
   50    46    52    54  -0.47000 -1.0 2.0
   50    46    52    54   0.11750  1.0 3.0
   50    53    56    57  -0.64400  1.0 1.0
   50    53    56    57   0.26850 -1.0 2.0
   50    53   -56    65  -0.15000  1.0 1.0
   50    53   -56    65   0.89550 -1.0 2.0
   50    53   -56    65  -0.06900  1.0 3.0
   50    53    58    59   7.00000 -1.0 2.0
   50    53    58    60   7.00000 -1.0 2.0
   50    66    68    69   0.15000  1.0 3.0
   50    66    68    70   0.07850  1.0 1.0
   50    66    68    70  -0.03950 -1.0 2.0
   50    66    68    70   0.67350  1.0 3.0
   50    66    68    74   0.02550  1.0 1.0
   50    66    68    74  -0.02600 -1.0 2.0
   50    66    68    74   1.20400  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    53    58   0.00000  1.0 1.0
   51    50    66    65   0.23400  1.0 3.0
   51    50    66    67   0.15000  1.0 3.0
   51    50    66    68   0.15000  1.0 3.0
   53    50   -66    65   0.61850  1.0 1.0
   53    50   -66    65  -0.22750 -1.0 2.0
   53    50   -66    65   0.15300  1.0 3.0
   53    50    66    67   0.15000  1.0 3.0
   53    50    66    68   0.34400  1.0 1.0
   53    50    66    68   0.09450 -1.0 2.0
   53    50    66    68   0.11100  1.0 3.0
   53    56   -65    66   2.00000 -1.0 2.0
   56    53    58    59   7.00000 -1.0 2.0
   56    53    58    60   7.00000 -1.0 2.0
   56    65   -66    50  -0.25900  1.0 1.0
   56    65   -66    50  -0.47000 -1.0 2.0
   56    65   -66    50   0.11750  1.0 3.0
   56    65    66    67   0.08050  1.0 3.0
   56    65    66    68  -0.25900  1.0 1.0
   56    65    66    68  -0.47000 -1.0 2.0
   56    65    66    68   0.11750  1.0 3.0
   57    56    65    66   3.00000 -1.0 2.0
   65    66    68    69   0.23400  1.0 3.0
   65    66    68    70  -0.26800  1.0 1.0
   65    66    68    70   0.69150 -1.0 2.0
   65    66    68    70  -0.48750  1.0 3.0
   65    66    68    74   1.11900  1.0 1.0
   65    66    68    74  -1.16350 -1.0 2.0
   65    66    68    74  -0.34150  1.0 3.0
   66    50   -53    56   0.09700  1.0 1.0
   66    50   -53    56   0.15600 -1.0 2.0
   66    50   -53    56  -0.50800  1.0 3.0
   66    50    53    58   0.09850  1.0 1.0
   66    50    53    58   0.15250 -1.0 2.0
   66    50    53    58  -0.50650  1.0 3.0
   66    68    70    71   0.56750  1.0 1.0
   66    68    70    71  -0.07550 -1.0 2.0
   66    68    70    71   0.20000  1.0 3.0
   66    68   -70    74   0.02550  1.0 1.0
   66    68   -70    74  -0.02600 -1.0 2.0
   66    68   -70    74   1.20400  1.0 3.0
   66    68    70    75   0.56750  1.0 1.0
   66    68    70    75  -0.07550 -1.0 2.0
   66    68    70    75   0.20000  1.0 3.0
   66    68   -74    70   0.06250  1.0 1.0
   66    68   -74    70  -0.01100 -1.0 2.0
   66    68   -74    70   0.28050  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    74   0.23400  1.0 3.0
   68    70    71    72   0.15000  1.0 3.0
   68    70    71    73   0.15000  1.0 3.0
   68    70    71    79   0.07850  1.0 1.0
   68    70    71    79  -0.03950 -1.0 2.0
   68    70    71    79   0.67350  1.0 3.0
   68    70    75    76   0.15000  1.0 3.0
   68    70    75    77   0.15000  1.0 3.0
   68    70    75    78   0.15000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68   -70    74   0.23400  1.0 3.0
   69    68    70    75   0.15000  1.0 3.0
   69    68   -74    70   0.36800  1.0 3.0
   70    71    79    80   0.15000  1.0 3.0
   70    71    79    81   0.15000  1.0 3.0
   70    71    79    40   0.47050  1.0 1.0
   70    71    79    40   0.03900 -1.0 2.0
   70    71    79    40   0.20100  1.0 3.0
   71    70   -74    68   0.06250  1.0 1.0
   71    70   -74    68  -0.01100 -1.0 2.0
   71    70   -74    68   0.28050  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.15000  1.0 3.0
   71    79    40    33   0.56750  1.0 1.0
   71    79    40    33  -0.07550 -1.0 2.0
   71    79    40    33   0.20000  1.0 3.0
   71    79    40    41   0.15000  1.0 3.0
   71    79    40    48   0.86500  1.0 1.0
   71    79    40    48  -0.17500 -1.0 2.0
   71    79    40    48   0.20800  1.0 3.0
   72    71    79    80   0.15000  1.0 3.0
   72    71    79    81   0.15000  1.0 3.0
   72    71    79    40   0.15000  1.0 3.0
   73    71    79    80   0.15000  1.0 3.0
   73    71    79    81   0.15000  1.0 3.0
   73    71    79    40   0.15000  1.0 3.0
   79    40    48    49  -0.11600  1.0 1.0
   79    40    48    49  -0.09450 -1.0 2.0
   79    40    48    49   0.21250  1.0 3.0
   80    79    40    33   0.15000  1.0 3.0
   80    79    40    41   0.15000  1.0 3.0
   80    79    40    48   0.23400  1.0 3.0
   81    79    40    33   0.15000  1.0 3.0
   81    79    40    41   0.15000  1.0 3.0
   81    79    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   74    68   -70    71   0.02550  1.0 1.0
   74    68   -70    71  -0.02600 -1.0 2.0
   74    68   -70    71   1.20400  1.0 3.0
   74    68   -70    75   0.02550  1.0 1.0
   74    68   -70    75  -0.02600 -1.0 2.0
   74    68   -70    75   1.20400  1.0 3.0
   74    70    71    72   0.23400  1.0 3.0
   74    70    71    73   0.23400  1.0 3.0
   74    70    71    79   0.02550  1.0 1.0
   74    70    71    79  -0.02600 -1.0 2.0
   74    70    71    79   1.20400  1.0 3.0
   74    70    75    76   0.23400  1.0 3.0
   74    70    75    77   0.23400  1.0 3.0
   74    70    75    78   0.23400  1.0 3.0
   75    70    71    72   0.15000  1.0 3.0
   75    70    71    73   0.15000  1.0 3.0
   75    70    71    79   0.56750  1.0 1.0
   75    70    71    79  -0.07550 -1.0 2.0
   75    70    71    79   0.20000  1.0 3.0
   75    70   -74    68   0.06250  1.0 1.0
   75    70   -74    68  -0.01100 -1.0 2.0
   75    70   -74    68   0.28050  1.0 3.0
   58    53    56    57   1.00000 -1.0 2.0
   58    53    56    65  -0.56150  1.0 1.0
   58    53    56    65   2.19150 -1.0 2.0
   52    46    50    51   0.23400  1.0 3.0
   52    46    50    53   0.61850  1.0 1.0
   52    46    50    53  -0.22750 -1.0 2.0
   52    46    50    53   0.15300  1.0 3.0
   52    46    50    66   0.62750  1.0 1.0
   52    46    50    66  -0.30950 -1.0 2.0
   52    46    50    66   0.27300  1.0 3.0
   52    54    61    62   0.00000  1.0 1.0
   52    54    61    63   0.00000  1.0 1.0
   52    54    61    64   0.00000  1.0 1.0
   55    54    61    62   0.00000  1.0 1.0
   55    54    61    63   0.00000  1.0 1.0
   55    54    61    64   0.00000  1.0 1.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    79   0.56750  1.0 1.0
   42    33    40    79  -0.07550 -1.0 2.0
   42    33    40    79   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   50    56    53    58   1.10000 -1.0 2.0
   53    65    56    57  10.50000 -1.0 2.0
   59    60    58    53   1.10000 -1.0 2.0
   52    61    54    55  10.50000 -1.0 2.0
END
