* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    160    258     475
    1     0 S   NP   _N1_     1    28.95727    98.72001   -23.86676
    2     1 S   H    _HN1     2     1.02793   109.58751   -92.80273
    3     1 S   H    _H1_     3     1.02949    58.87663     7.32759
    4     1 S   H    _H2_     4     1.02829    50.00785   169.90987
    5     1 S   CT   _CA1     5     1.50122   137.96903    93.80750
    6     5 S   HC   _HA1     6     1.09574   105.16693   111.93072
    7     5 S   CO3  _C1_     7     1.53760   112.50371    -8.28757
    8     7 S   O2Z  _O11     8     1.26376   114.99227   -41.86090
    9     7 S   O2Z  _O12     9     1.26236   114.93981   137.17607
   10     5 S   CT   _CB1    10     1.53055   107.41516  -130.08292
   11    10 S   HC   HB11    11     1.09840   109.31670   -49.48310
   12    10 S   HC   HB12    12     1.09811   110.47870    67.11286
   13    10 S   CT   _CG1    13     1.53008   112.63620  -170.42743
   14    13 S   HC   HG11    14     1.09577   110.73798   -67.55061
   15    13 S   HC   HG12    15     1.09672   109.70864    51.69407
   16    13 S   C    _CD1    16     1.51799   112.01067   172.18857
   17    16 S   O    _OE1    17     1.22748   123.19988    12.23704
   18    16 S   N    _N2_    18     1.38573   111.74245  -167.79836
   19    18 S   H    _HN2    19     1.01570   119.09070     0.79525
   20    18 S   CT1  _CA2    20     1.46283   123.56658   177.23374
   21    20 S   HC   _HA2    21     1.09736   109.26039     8.25293
   22    20 S   C    _C2_    22     1.53726   109.13539  -107.34413
   23    22 S   O    _O2_    23     1.23090   122.24377  -151.91370
   24    20 S   CT   _CB2    32     1.53404   111.21904   130.24590
   25    24 S   HC   HB21    33     1.09418   109.19653    56.33190
   26    24 S   HC   HB22    34     1.09517   110.03552   175.24416
   27    22 S   N    _N3_    24     1.38316   113.97478    35.65819
   28    27 S   H    _HN3    25     1.01524   119.56705    -3.41426
   29    24 S   S    _SG2    35     1.83462   110.75838   -65.54915
   30    27 S   CT   _CA3    26     1.45265   123.31506   177.18652
   31    30 S   HC   HA31    27     1.09546   107.52126   -64.78383
   32    30 S   HC   HA32    28     1.09555   107.99769    51.68390
   33    29 S   CT   _C20    36     1.89256   103.36949   166.54927
   34    33 S   OM   _O38    37     1.32328   111.66412    23.07184
   35    30 S   CO3  _C3_    29     1.52976   114.02258   173.67981
   36    35 S   O2Z  _O31    30     1.26391   116.08207    -0.24066
   37    35 S   O2Z  _O32    31     1.26429   114.41023   179.81869
   38    33 S   CM   _C21    38     1.53760   105.31248   -95.46728
   39    33 S   CT   _C19    70     1.60871   110.68355   141.38960
   40    39 S   HC   _H4_    71     1.10209   105.45751  -161.43843
   41    38 S   CMA  _C22    39     1.36086   126.51618  -116.11501
   42    41 S   OM   _O36    40     1.27008   130.12717   178.10349
   43    39 S   NT   _N5_    72     1.49097   111.36389   -47.47274
   44    38 S   C    _C23    83     1.51258   118.43298    62.85322
   45    44 S   O    _O37    84     1.22700   122.73677    72.28316
   46    41 S   CT   _C16    41     1.54606   118.43360    -2.11044
   47    43 S   CT   _C24    73     1.45807   113.80874  -126.73380
   48    47 S   HC   _H16    74     1.09601   110.65324   171.02740
   49    47 S   HC   _H17    75     1.09559   111.07698    53.33510
   50    47 S   HC   _H18    76     1.09412   112.15918   -68.19743
   51    43 S   CT   _C25    77     1.45533   119.10533    98.17923
   52    51 S   HC   _H19    78     1.09635   109.08028  -149.60445
   53    51 S   HC   _H20    79     1.09361   113.26371    91.97261
   54    51 S   HC   _H21    80     1.09265   113.50069   -31.14882
   55    44 S   N    _N4_    85     1.37680   113.53209  -107.29974
   56    55 S   H    _H14    86     1.01426   121.61729    -2.10133
   57    55 S   H    _H15    87     1.01239   120.66066  -178.84716
   58    46 S   CO4  _C15    42     1.54639   110.08992   -96.84649
   59    58 S   O    _O35    43     1.23024   122.50388   -16.75204
   60    46 S   OH   _O39    81     1.44064   110.70325   147.66239
   61    60 S   HO   _H22    82     0.97482   105.99862    34.48892
   62    58 S   CA   _C7_    44     1.50037   118.93202   164.53034
   63    62 S   CA   _C6_    45     1.39440   119.72191    -8.13530
   64    63 S   CA   _C5_    46     1.42781   119.37277   177.24643
   65    63 S   CT   _C18    65     1.51448   120.33356    -0.68386
   66    65 S   HC   _H12    66     1.09841   107.36601    99.38688
   67    65 S   HC   _H13    67     1.08759   109.09351  -146.20860
   68    64 S   CA   _C10    47     1.45099   121.81919     9.15775
   69    64 S   CT   _C4_    61     1.51791   117.40303  -169.15336
   70    69 S   HC   _H5_    62     1.09351   110.64279   -97.15851
   71    69 S   HC   _H6_    63     1.09388   112.68368    23.99958
   72    69 S   HC   _H7_    64     1.09371   110.76463   138.66632
   73    46 S   CT   _C17    68     1.54442   113.79898    26.93574
   74    73 S   HC   _H3_    69     1.09939   108.29928    64.18144
   75    68 S   CA   _C9_    48     1.42803   117.10956   -10.52329
   76    75 S   CA   _C14    49     1.43024   118.63903  -174.86317
   77    62 S   CA   _C8_    58     1.40747   121.16132   171.53573
   78    76 S   CA   _C13    50     1.39061   123.02242    -2.09144
   79    78 S   HA   _H9_    51     1.08593   121.44927  -179.79633
   80    76 S   OH   _O33    56     1.37612   120.46195   178.00335
   81    80 S   HO   _H10    57     0.97155   109.68819   179.87489
   82    77 S   OH   _O34    59     1.37883   119.97247    -1.59225
   83    82 S   HO   _H11    60     0.97253   110.02075     2.49324
   84    78 S   CA   _C12    52     1.37628   119.01216    -1.62293
   85    84 S   HA   _H8_    53     1.08776   118.82287  -177.05250
   86    68 S   CA   _C11    54     1.44433   126.75545   169.39342
   87    86 S   Cl   Cl1_    55     1.74027   124.23431   -10.16175
  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
  16   7   2   1   1  14  21   7  13   5  12   5   3  12   8   3
   2   1   4   2   1   1   2   1   1  12   5   5   1  13  15  15
   7   3   2  14   5   2   1   1   1   1  11   9   5   7   4   2
   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    73    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    65    73    74    39    40    43    47    51    44    45    55  
   38    41    73    39    40    43    44  
   36    37  
   37  
    0  
   41    42    46    58    73    39    40    43    60    44    45    55    56    57  
   40    43    47    48    49    50    51    52    53    54    60    44    41    46    58    63    65    66    67    73    74  
   43    47    51    46    65    73    74  
   42    46    58    59    62    65    73    74    60    61    44    45    55  
   46    58    73    60    44  
   47    48    49    50    51    52    53    54    46    65    73    74  
   45    55    56    57    46  
   55    56    57  
   58    59    62    63    77    65    66    67    73    74    60    61  
   48    49    50    51    52    53    54    73  
   49    50    51  
   50    51  
   51  
   52    53    54    73  
   53    54  
   54  
    0  
   56    57  
   57  
    0  
   59    62    63    64    75    77    82    65    73    74    60    61  
   62    63    77    73    60  
   61    62    65    73    74  
   73  
   63    64    68    75    76    77    82    83    69    65    66    67    73  
   64    68    75    86    77    82    69    70    71    72    65    66    67    73    74  
   68    75    76    84    86    87    77    69    70    71    72    65    66    67    73  
   66    67    73    74    68    69    77  
   67    73    74  
   73    74  
   75    76    78    84    85    86    87    80    77    82    69    70    71    72  
   70    71    72    75    86  
   71    72  
   72  
    0  
   74  
    0  
   76    78    79    84    86    87    80    81    77    82    83  
   78    79    84    85    86    80    81    77    82  
   82    83    78    80    86  
   79    84    85    86    87    80    81  
   84    85    86    80  
   81    84  
    0  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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  -0.012500   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   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   44   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   57   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    44   410.000  1.444
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    58   317.000  1.522
   46    73   268.000  1.529
   46    60   320.000  1.410
   58    59   570.000  1.229
   58    62   310.000  1.470
   62    63   469.000  1.400
   62    77   469.000  1.400
   63    64   469.000  1.400
   63    65   317.000  1.510
   64    68   469.000  1.400
   64    69   317.000  1.510
   68    75   469.000  1.400
   68    86   469.000  1.400
   75    76   469.000  1.400
   75    77   469.000  1.400
   76    78   469.000  1.400
   76    80   450.000  1.364
   78    79   367.000  1.080
   78    84   469.000  1.400
   84    85   367.000  1.080
   84    86   469.000  1.400
   86    87   300.000  1.725
   80    81   553.000  0.945
   77    82   450.000  1.364
   82    83   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    39   268.000  1.529
   39    40   340.000  1.090
   39    43   382.000  1.448
   43    47   382.000  1.448
   43    51   382.000  1.448
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   60    61   553.000  0.945
   44    45   570.000  1.229
   44    55   490.000  1.335
   55    56   434.000  1.010
   55    57   434.000  1.010
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    44    70.00000  119.70000
   33    39    73    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    56.20000  109.47000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    46    65.00000  122.18000
   38    44    45    80.00000  125.30000
   38    44    55    80.00000  111.56200
   41    46    58    70.00000  109.06800
   41    46    73    70.00000  112.02700
   41    46    60    90.00000  110.39200
   46    41    42    85.00000  112.85300
   46    58    59    80.00000  120.40000
   46    58    62    65.00000  115.47100
   46    73    65    58.35000  112.70000
   46    73    74    37.50000  110.70000
   46    73    39    58.35000  112.70000
   46    60    61    55.00000  108.50000
   58    62    63    60.00000  119.52600
   58    62    77    60.00000  119.52600
   62    58    59    75.00000  123.78400
   62    63    64    63.00000  120.00000
   62    63    65    70.00000  120.00000
   62    77    75    63.00000  120.00000
   62    77    82    70.00000  120.00000
   63    64    68    63.00000  120.00000
   63    64    69    70.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    73    70.00000  112.17500
   64    68    75    63.00000  120.00000
   64    68    86    63.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   68    75    76    63.00000  120.00000
   68    75    77    63.00000  120.00000
   68    86    84    63.00000  120.00000
   68    86    87    75.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    80    70.00000  120.00000
   75    77    82    70.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    84    63.00000  120.00000
   76    80    81    35.00000  113.00000
   78    84    85    35.00000  120.00000
   78    84    86    63.00000  120.00000
   84    78    79    35.00000  120.00000
   84    86    87    75.00000  120.00000
   86    68    75    63.00000  120.00000
   86    84    85    35.00000  120.00000
   80    76    78    70.00000  120.00000
   77    62    63    63.00000  120.00000
   77    75    76    63.00000  120.00000
   77    82    83    35.00000  113.00000
   69    64    68    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   65    63    64    70.00000  120.00000
   65    73    74    37.50000  110.70000
   65    73    39    58.35000  112.70000
   67    65    66    33.00000  107.80000
   73    46    58    63.00000  111.10000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    39    40    37.50000  110.70000
   73    39    43    56.20000  109.47000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    73    74    37.50000  110.70000
   39    43    47    51.80000  107.20000
   39    43    51    51.80000  107.20000
   43    39    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   43    51    52    35.00000  109.50000
   43    51    53    35.00000  109.50000
   43    51    54    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    47    51.80000  107.20000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   60    46    58    90.00000  109.61100
   60    46    73    50.00000  109.50000
   44    38    41    60.00000  120.04000
   44    55    56    35.00000  119.80000
   44    55    57    35.00000  119.80000
   55    44    45    80.00000  122.90000
   57    55    56    35.00000  120.00000
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  -0.62250  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    44   0.09700  1.0 1.0
   29    33    38    44   0.15600 -1.0 2.0
   29    33    38    44  -0.50800  1.0 3.0
   29    33    39    73   0.44750  1.0 1.0
   29    33    39    73  -0.17800 -1.0 2.0
   29    33    39    73   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    46   7.00000 -1.0 2.0
   33    38    44    45  -0.64400  1.0 1.0
   33    38    44    45   0.26850 -1.0 2.0
   33    38    44    55   1.59650  1.0 1.0
   33    38    44    55   0.42750 -1.0 2.0
   33    38    44    55  -0.48350  1.0 3.0
   33    39    43    47   0.23450  1.0 1.0
   33    39    43    47   0.02050 -1.0 2.0
   33    39    43    47   0.25250  1.0 3.0
   33    39    43    51   0.23450  1.0 1.0
   33    39    43    51   0.02050 -1.0 2.0
   33    39    43    51   0.25250  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    44   0.09700  1.0 1.0
   34    33    38    44   0.15600 -1.0 2.0
   34    33    38    44  -0.50800  1.0 3.0
   34    33    39    73   0.62750  1.0 1.0
   34    33    39    73  -0.30950 -1.0 2.0
   34    33    39    73   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.74050  1.0 1.0
   38    33    39    73   0.34400  1.0 1.0
   38    33    39    73   0.09450 -1.0 2.0
   38    33    39    73   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.59950  1.0 1.0
   38    33    39    43  -0.21400 -1.0 2.0
   38    33    39    43   0.56200  1.0 3.0
   38    41    46    58  -0.51250  1.0 1.0
   38    41    46    58  -0.88800 -1.0 2.0
   38    41    46    58   0.08850  1.0 3.0
   38    41   -46    73   0.09850  1.0 1.0
   38    41   -46    73   0.15250 -1.0 2.0
   38    41   -46    73  -0.50650  1.0 3.0
   38    41    46    60   0.67800  1.0 1.0
   38    41    46    60   0.47050 -1.0 2.0
   38    41    46    60  -0.62500  1.0 3.0
   38    44    55    56   2.56700 -1.0 2.0
   38    44    55    57   2.56700 -1.0 2.0
   41    38    44    45   1.00000 -1.0 2.0
   41    38    44    55   0.49500  1.0 1.0
   41    38    44    55   1.31600 -1.0 2.0
   41    38    44    55  -0.02300  1.0 3.0
   41    46    58    59   0.30150 -1.0 2.0
   41    46    58    62   0.65300  1.0 1.0
   41    46    58    62  -0.03850 -1.0 2.0
   41    46    58    62   0.33900  1.0 3.0
   41    46    73    65   0.34400  1.0 1.0
   41    46    73    65   0.09450 -1.0 2.0
   41    46    73    65   0.11100  1.0 3.0
   41    46    73    74   0.15000  1.0 3.0
   41    46    73    39   0.34400  1.0 1.0
   41    46    73    39   0.09450 -1.0 2.0
   41    46    73    39   0.11100  1.0 3.0
   41    46    60    61  -0.07800  1.0 1.0
   41    46    60    61  -0.21500 -1.0 2.0
   41    46    60    61  -0.03150  1.0 3.0
   42    41    46    58   0.09700  1.0 1.0
   42    41    46    58   0.15600 -1.0 2.0
   42    41    46    58  -0.50800  1.0 3.0
   42    41    46    73   0.09700  1.0 1.0
   42    41    46    73   0.15600 -1.0 2.0
   42    41    46    73  -0.50800  1.0 3.0
   42    41    46    60   0.09700  1.0 1.0
   42    41    46    60   0.15600 -1.0 2.0
   42    41    46    60  -0.50800  1.0 3.0
   46    58    62    63   2.26350  1.0 1.0
   46    58    62    63   0.76750 -1.0 2.0
   46    58    62    63   0.22500  1.0 3.0
   46    58    62    77   2.26350  1.0 1.0
   46    58    62    77   0.76750 -1.0 2.0
   46    58    62    77   0.22500  1.0 3.0
   46    73   -39    33   0.56750  1.0 1.0
   46    73   -39    33  -0.07550 -1.0 2.0
   46    73   -39    33   0.20000  1.0 3.0
   46    73    39    40   0.15000  1.0 3.0
   46    73    39    43   1.85550  1.0 1.0
   46    73    39    43  -0.84100 -1.0 2.0
   58    46    73    65  -0.95700  1.0 1.0
   58    46    73    65  -0.18200 -1.0 2.0
   58    46    73    65   0.29450  1.0 3.0
   58    46    73    74  -0.11250  1.0 3.0
   58    46    73    39  -0.95700  1.0 1.0
   58    46    73    39  -0.18200 -1.0 2.0
   58    46    73    39   0.29450  1.0 3.0
   58    46    60    61   0.91850  1.0 1.0
   58    46    60    61   0.57950  1.0 3.0
   58    62    63    64   3.62500 -1.0 2.0
   58    62   -63    65   3.62500 -1.0 2.0
   58    62    77    75   3.62500 -1.0 2.0
   58    62    77    82   3.62500 -1.0 2.0
   59    58    62    63   1.05000 -1.0 2.0
   59    58    62    77   1.05000 -1.0 2.0
   62    63    64    68   3.62500 -1.0 2.0
   62    63    64    69   3.62500 -1.0 2.0
   62    63    65    66   0.00000  1.0 1.0
   62    63    65    67   0.00000  1.0 1.0
   62    63    65    73   0.04150 -1.0 2.0
   62    77    82    83   0.84100 -1.0 2.0
   63    62    77    75   3.62500 -1.0 2.0
   63    62    77    82   3.62500 -1.0 2.0
   63    64   -68    75   3.62500 -1.0 2.0
   63    64    68    86   3.62500 -1.0 2.0
   63    64    69    70   0.00000  1.0 1.0
   63    64    69    71   0.00000  1.0 1.0
   63    64    69    72   0.00000  1.0 1.0
   63    65   -73    46  -0.03700  1.0 1.0
   63    65   -73    46   0.37200 -1.0 2.0
   63    65   -73    46  -0.47300  1.0 3.0
   63    65    73    74   0.43200  1.0 3.0
   63    65    73    39  -0.03700  1.0 1.0
   63    65    73    39   0.37200 -1.0 2.0
   63    65    73    39  -0.47300  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    73   0.04150 -1.0 2.0
   64    68    75    76   3.62500 -1.0 2.0
   64    68    75    77   3.62500 -1.0 2.0
   64    68    86    84   3.62500 -1.0 2.0
   64    68    86    87   3.62500 -1.0 2.0
   68    64    69    70   0.00000  1.0 1.0
   68    64    69    71   0.00000  1.0 1.0
   68    64    69    72   0.00000  1.0 1.0
   68    75    76    78   3.62500 -1.0 2.0
   68    75    76    80   3.62500 -1.0 2.0
   68    75   -77    62   3.62500 -1.0 2.0
   68    75    77    82   3.62500 -1.0 2.0
   75    68    86    84   3.62500 -1.0 2.0
   75    68    86    87   3.62500 -1.0 2.0
   75    76    78    79   3.62500 -1.0 2.0
   75    76   -78    84   3.62500 -1.0 2.0
   75    76    80    81   0.84100 -1.0 2.0
   75    77    82    83   0.84100 -1.0 2.0
   76    75    77    62   3.62500 -1.0 2.0
   76    75    77    82   3.62500 -1.0 2.0
   76    78    84    85   3.62500 -1.0 2.0
   76    78    84    86   3.62500 -1.0 2.0
   78    76    80    81   0.84100 -1.0 2.0
   78    84   -86    68   3.62500 -1.0 2.0
   78    84    86    87   3.62500 -1.0 2.0
   79    78    84    85   3.62500 -1.0 2.0
   79    78    84    86   3.62500 -1.0 2.0
   85    84    86    68   3.62500 -1.0 2.0
   85    84    86    87   3.62500 -1.0 2.0
   86    68   -75    76   3.62500 -1.0 2.0
   86    68    75    77   3.62500 -1.0 2.0
   80    76    78    79   3.62500 -1.0 2.0
   80    76    78    84   3.62500 -1.0 2.0
   77    62   -63    64   3.62500 -1.0 2.0
   77    62    63    65   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    80   3.62500 -1.0 2.0
   69    64    68    75   3.62500 -1.0 2.0
   69    64    68    86   3.62500 -1.0 2.0
   65    63    64    68   3.62500 -1.0 2.0
   65    63    64    69   3.62500 -1.0 2.0
   65    73    39    33   0.56750  1.0 1.0
   65    73    39    33  -0.07550 -1.0 2.0
   65    73    39    33   0.20000  1.0 3.0
   65    73    39    40   0.15000  1.0 3.0
   65    73    39    43   1.85550  1.0 1.0
   65    73    39    43  -0.84100 -1.0 2.0
   66    65    73    46   0.15000  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    39   0.15000  1.0 3.0
   67    65    73    46   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    39   0.15000  1.0 3.0
   73    46    58    59   0.30150 -1.0 2.0
   73    46   -58    62   0.05850 -1.0 2.0
   73    46   -58    62   0.17250  1.0 3.0
   73    46    60    61  -0.11600  1.0 1.0
   73    46    60    61  -0.09450 -1.0 2.0
   73    46    60    61   0.21250  1.0 3.0
   73    39    43    47   0.23450  1.0 1.0
   73    39    43    47   0.02050 -1.0 2.0
   73    39    43    47   0.25250  1.0 3.0
   73    39    43    51   0.23450  1.0 1.0
   73    39    43    51   0.02050 -1.0 2.0
   73    39    43    51   0.25250  1.0 3.0
   74    73    39    33   0.15000  1.0 3.0
   74    73    39    40   0.15000  1.0 3.0
   74    73    39    43   0.15000  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    44   0.09700  1.0 1.0
   39    33    38    44   0.15600 -1.0 2.0
   39    33    38    44  -0.50800  1.0 3.0
   39    43    47    48   0.28000  1.0 3.0
   39    43    47    49   0.28000  1.0 3.0
   39    43    47    50   0.28000  1.0 3.0
   39    43    51    52   0.28000  1.0 3.0
   39    43    51    53   0.28000  1.0 3.0
   39    43    51    54   0.28000  1.0 3.0
   40    39    43    47   0.28000  1.0 3.0
   40    39    43    51   0.28000  1.0 3.0
   47    43    51    52   0.28000  1.0 3.0
   47    43    51    53   0.28000  1.0 3.0
   47    43    51    54   0.28000  1.0 3.0
   51    43    47    48   0.28000  1.0 3.0
   51    43    47    49   0.28000  1.0 3.0
   51    43    47    50   0.28000  1.0 3.0
   60    46    58    59   0.30150 -1.0 2.0
   60    46    58    62   0.65300  1.0 1.0
   60    46    58    62  -0.03850 -1.0 2.0
   60    46    58    62   0.33900  1.0 3.0
   60    46    73    65   0.86500  1.0 1.0
   60    46    73    65  -0.17500 -1.0 2.0
   60    46    73    65   0.20800  1.0 3.0
   60    46    73    74   0.23400  1.0 3.0
   60    46    73    39   0.86500  1.0 1.0
   60    46    73    39  -0.17500 -1.0 2.0
   60    46    73    39   0.20800  1.0 3.0
   44    38    41    42   7.00000 -1.0 2.0
   44    38    41    46   7.00000 -1.0 2.0
   45    44    55    56   2.45000 -1.0 2.0
   45    44    55    57   2.45000 -1.0 2.0
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
   33    44    38    41   1.10000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   46    62    58    59  10.50000 -1.0 2.0
   63    77    62    58   4.00000 -1.0 2.0
   64    65    63    62   4.00000 -1.0 2.0
   68    69    64    63   4.00000 -1.0 2.0
   75    86    68    64   4.00000 -1.0 2.0
   76    77    75    68   4.00000 -1.0 2.0
   78    80    76    75   4.00000 -1.0 2.0
   84    79    78    76   1.10000 -1.0 2.0
   86    85    84    78   1.10000 -1.0 2.0
   84    87    86    68   4.00000 -1.0 2.0
   75    82    77    62   4.00000 -1.0 2.0
   38    55    44    45  10.50000 -1.0 2.0
   57    44    55    56   1.00000 -1.0 2.0
END
