* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    155    241     462
    1     0 S   NP   _N1_     1    29.82516    89.30126   -21.83351
    2     1 S   H    _HN1     2     1.02953   116.83266   -15.85941
    3     1 S   H    _H1_     3     1.02841    27.37693    59.22564
    4     1 S   H    _H2_     4     1.02787    80.44944  -121.58782
    5     1 S   CT   _CA1     5     1.50133   123.68570   128.09907
    6     5 S   HC   _HA1     6     1.09581   105.23180    32.32894
    7     5 S   CO3  _C1_     7     1.53776   111.96209   -87.77666
    8     7 S   O2Z  _O11     8     1.26341   115.10609   -53.10468
    9     7 S   O2Z  _O12     9     1.26192   114.83286   125.65658
   10     5 S   CT   _CB1    10     1.53037   107.36398   150.04546
   11    10 S   HC   HB11    11     1.09834   109.43052   -50.13561
   12    10 S   HC   HB12    12     1.09813   110.44897    66.40391
   13    10 S   CT   _CG1    13     1.53014   112.65177  -171.10987
   14    13 S   HC   HG11    14     1.09602   110.52929   -62.17508
   15    13 S   HC   HG12    15     1.09643   109.99208    57.10029
   16    13 S   C    _CD1    16     1.51847   111.96498   177.50943
   17    16 S   O    _OE1    17     1.22762   123.19458     1.22285
   18    16 S   N    _N2_    18     1.38556   111.81137  -179.09086
   19    18 S   H    _HN2    19     1.01604   119.15513     1.92966
   20    18 S   CT1  _CA2    20     1.46378   123.37195  -177.80144
   21    20 S   HC   _HA2    21     1.09727   109.32572    -4.57235
   22    20 S   C    _C2_    22     1.53398   109.00599  -120.35431
   23    22 S   O    _O2_    23     1.23059   122.23957  -151.97506
   24    20 S   CT   _CB2    32     1.53535   111.11131   117.19221
   25    24 S   HC   HB21    33     1.09019   108.77520    59.40340
   26    24 S   HC   HB22    34     1.09498   110.78402   177.47803
   27    22 S   N    _N3_    24     1.38337   113.69227    35.60656
   28    27 S   H    _HN3    25     1.01621   119.43218    -3.65259
   29    24 S   S    _SG2    35     1.82638   110.74790   -63.10234
   30    27 S   CT   _CA3    26     1.45266   123.16157   177.08583
   31    30 S   HC   HA31    27     1.09550   107.53214   -64.21866
   32    30 S   HC   HA32    28     1.09561   107.94236    52.18644
   33    29 S   CT   _C19    36     1.87357   101.97203   154.90811
   34    33 S   HC   _H3_    37     1.10180   103.83571    44.19376
   35    30 S   CO3  _C3_    29     1.52931   114.15060   174.21772
   36    35 S   O2Z  _O31    30     1.26365   116.09751     0.90741
   37    35 S   O2Z  _O32    31     1.26436   114.40244  -179.06539
   38    33 S   CT   _C14    38     1.55806   105.08004   151.98934
   39    38 S   HC   _H37    39     1.10083   108.10458   -54.72888
   40    38 S   HC   _H38    40     1.09549   108.78765  -165.77981
   41    33 S   CT   _C21    63     1.62445   117.12045   -74.76945
   42    41 S   OM   _O20    64     1.33319   104.67298    85.75447
   43    38 S   CT   _C12    41     1.54245   119.58170    67.29743
   44    43 S   HC   _H33    42     1.09614   109.70552   -65.56248
   45    43 S   HC   _H34    43     1.09775   108.26025   179.63523
   46    41 S   CO   _C20    65     1.59320   112.59645  -160.55426
   47    46 S   HC   _H45    66     1.09570   110.97391   -27.97905
   48    43 S   CM   _C5_    44     1.50267   113.70175    59.39453
   49    46 S   OS   _O24    67     1.42202   114.74066    97.24321
   50    46 S   OH   _O25    71     1.44269   111.93424  -143.56730
   51    50 S   HO   _H49    72     0.97421   106.27295   -17.64931
   52    48 S   CM   _C4_    45     1.35032   121.44620  -123.34557
   53    52 S   HC   _H28    46     1.08835   119.21156    -5.62340
   54    48 S   CT   _C13    68     1.50102   115.30948    50.57936
   55    54 S   HC   _H35    69     1.09480   113.85055    14.00380
   56    54 S   HC   _H36    70     1.09670   108.85560   130.74975
   57    52 S   CT   _C16    47     1.50371   124.04962   163.58646
   58    57 S   HC   _H41    48     1.09685   111.05296    20.71934
   59    57 S   CT   _C17    49     1.53635   114.07525  -105.35928
   60    59 S   HC   _H42    50     1.10083   110.10392   -51.82062
   61    59 S   CM   _C6_    51     1.49893    96.54083  -160.75405
   62    59 S   CT   _C18    58     1.55695   115.56590    70.62817
   63    62 S   HC   _H43    59     1.09158   109.75182    54.80496
   64    61 S   CO4  _C7_    52     1.48728   106.98904    33.18680
   65    64 S   O    _O21    53     1.21738   127.31095   164.26414
   66    61 S   CM   _C8_    55     1.33511   132.38683  -143.96760
   67    66 S   HC   _H29    56     1.08229   121.98663    -1.59373
   68    66 S   HC   _H30    57     1.08549   121.38568   178.63413
   69    62 S   CT   _C15    60     1.55830   110.80472   -72.47492
   70    69 S   HC   _H39    61     1.10311   107.34466  -107.79022
   71    69 S   HC   _H40    62     1.08959   107.29469     0.90849
   72    62 S   OS   _O26    73     1.45538   106.90170   173.05539
   73    57 S   OS   _O23    54     1.43719   110.28464   137.48402
   74    72 S   CO4  _C11    74     1.35988   117.67514  -151.04225
   75    74 S   O    _O22    75     1.22231   126.20695     4.68684
   76    74 S   CM   _C10    76     1.48986   109.43270  -175.29098
   77    76 S   CM   _C9_    77     1.34148   117.40806   176.66358
   78    77 S   HC   _H31    78     1.08545   120.95122  -179.89913
   79    77 S   HC   _H32    79     1.08536   122.44624    -0.05595
   80    76 S   CT   _C22    80     1.49734   120.14829    -3.19169
   81    80 S   HC   _H46    81     1.09441   110.34901   -61.56005
   82    80 S   HC   _H47    82     1.09485   110.72648    59.10169
   83    80 S   HC   _H48    83     1.09534   111.90533   178.86202
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  12   6   5  15   8  10   4   3  12   5  10
   7   3   1  12   5   3   1   1  12   6  15   8  10  11   5   5
   2   3   1   1   4   2   1   5   1   9   3   7   6   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    69    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    48    62    69    70    71    41    42    46    47    49    50  
   38    39    40    43    69    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    48    52    69    41    42    46    54  
   40    43    44    45    48    41  
   43    44    45    48    41  
   42    46    47    49    54    50    51    72    43    59    62    63    69    70    71  
   46    47    49    50    62    69    70    71  
   44    45    48    52    53    57    49    54    55    56  
   45    48    52    54  
   48    52    54  
   47    49    54    55    56    50    51    48    62    69    70    71  
   49    54    50    51    69  
   52    53    57    58    59    73    49    54    55    56  
   54    55    56    50    51    52    69  
   51    54    69  
    0  
   53    57    58    59    60    61    64    73    62    54    55    56  
   57    58    59    73    54  
   55    56    57  
   56  
    0  
   58    59    60    61    64    65    73    66    62    63    69    72  
   59    60    61    64    73    62  
   60    61    64    65    73    66    67    68    62    63    69    70    71    72    74  
   61    64    73    66    62    63    69    72  
   64    65    73    66    67    68    62    63    69    72  
   63    69    70    71    72    74    75    76    64    66    73  
   69    70    71    72    74  
   65    73    66    67    68  
   73    66  
   67    68    73  
   68  
    0  
   70    71    72    74  
   71    72  
   72  
   74    75    76    77    80  
    0  
   75    76    77    78    79    80    81    82    83  
   76    77    80  
   77    78    79    80    81    82    83  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    52   549.000  1.340
   48    54   317.000  1.510
   52    53   340.000  1.080
   52    57   317.000  1.510
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    73   320.000  1.410
   59    60   340.000  1.090
   59    61   317.000  1.510
   59    62   268.000  1.529
   61    64   320.000  1.462
   61    66   549.000  1.340
   64    65   570.000  1.229
   64    73   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   62    63   340.000  1.090
   62    69   268.000  1.529
   62    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    41   268.000  1.529
   41    42   570.000  1.307
   41    46   250.000  1.527
   46    47   340.000  1.090
   46    49   320.000  1.380
   46    50   380.000  1.407
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   50    51   553.000  0.945
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   549.000  1.340
   76    80   317.000  1.510
   77    78   340.000  1.080
   77    79   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    69    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    75.00000  109.43000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    48    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    48    52    70.00000  124.00000
   43    48    54    65.00000  117.92700
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    52    53    35.00000  120.00000
   48    52    57    70.00000  124.00000
   48    54    49    85.00000  110.90400
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    59    70.00000  112.02700
   52    57    73    85.00000  110.90400
   57    52    53    35.00000  117.00000
   57    59    60    37.50000  110.70000
   57    59    61    70.00000  112.02700
   57    59    62    58.35000  112.70000
   57    73    64    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    61    64    65.00000  116.34900
   59    61    66    70.00000  124.00000
   59    62    63    37.50000  110.70000
   59    62    69    58.35000  112.70000
   59    62    72    50.00000  109.50000
   61    59    60    35.00000  109.50000
   61    64    65    80.00000  123.72100
   61    64    73    90.00000  111.29400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   73    57    58    35.00000  109.50000
   73    57    59    50.00000  109.50000
   73    64    65    83.00000  123.40000
   66    61    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   62    59    60    37.50000  110.70000
   62    59    61    70.00000  112.02700
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    41    58.35000  112.70000
   62    72    74    83.00000  116.90000
   69    62    63    37.50000  110.70000
   69    41    42    50.00000  109.50000
   69    41    46    75.00000  109.43000
   71    69    70    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    69    70    37.50000  110.70000
   41    69    71    37.50000  110.70000
   41    46    47    45.00000  112.01100
   41    46    49    90.00000  108.56700
   41    46    50    90.00000  110.19100
   46    41    42    90.00000  109.38000
   46    49    54    60.00000  109.50000
   46    50    51    70.00000  107.92000
   49    46    47    35.00000  109.50000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   54    48    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   50    46    47    60.00000  108.02500
   50    46    49   110.00000  112.08000
   72    62    63    35.00000  109.50000
   72    62    69    50.00000  109.50000
   72    74    75    83.00000  123.40000
   72    74    76    90.00000  111.29400
   74    76    77    65.00000  118.96000
   74    76    80    65.00000  116.34900
   76    74    75    80.00000  123.72100
   76    77    78    35.00000  120.00000
   76    77    79    35.00000  120.00000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    35.00000  109.50000
   79    77    78    35.00000  117.00000
   80    76    77    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    69   0.44750  1.0 1.0
   29    33    41    69  -0.17800 -1.0 2.0
   29    33    41    69   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    48   0.34400  1.0 1.0
   33    38    43    48   0.09450 -1.0 2.0
   33    38    43    48   0.11100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    49   0.62750  1.0 1.0
   33    41    46    49  -0.30950 -1.0 2.0
   33    41    46    49   0.27300  1.0 3.0
   33    41    46    50   0.86500  1.0 1.0
   33    41    46    50  -0.17500 -1.0 2.0
   33    41    46    50   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    69   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    69   0.56750  1.0 1.0
   38    33    41    69  -0.07550 -1.0 2.0
   38    33    41    69   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   3.97050  1.0 1.0
   38    43    48    52   0.09850  1.0 1.0
   38    43    48    52   0.15250 -1.0 2.0
   38    43    48    52  -0.50650  1.0 3.0
   38    43    48    54   0.46850  1.0 1.0
   38    43    48    54   0.08550 -1.0 2.0
   38    43    48    54   0.09800  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    48   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    48   0.15000  1.0 3.0
   43    48    52    53   7.00000 -1.0 2.0
   43    48    52    57   7.00000 -1.0 2.0
   43    48    54    49   0.09700  1.0 1.0
   43    48    54    49   0.15600 -1.0 2.0
   43    48    54    49  -0.50800  1.0 3.0
   43    48    54    55   0.34800  1.0 3.0
   43    48    54    56   0.34800  1.0 3.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    54   0.34800  1.0 3.0
   45    43    48    52   0.00000  1.0 1.0
   45    43    48    54   0.34800  1.0 3.0
   48    52    57    58   0.00000  1.0 1.0
   48    52    57    59   0.09850  1.0 1.0
   48    52    57    59   0.15250 -1.0 2.0
   48    52    57    59  -0.50650  1.0 3.0
   48    52    57    73   0.39000  1.0 1.0
   48    52    57    73  -0.05800 -1.0 2.0
   48    52    57    73  -0.55150  1.0 3.0
   52    48    54    49   0.39000  1.0 1.0
   52    48    54    49  -0.05800 -1.0 2.0
   52    48    54    49  -0.55150  1.0 3.0
   52    48    54    55   0.00000  1.0 1.0
   52    48    54    56   0.00000  1.0 1.0
   52    57    59    60   0.15000  1.0 3.0
   52    57    59    61   0.31000  1.0 1.0
   52    57    59    61   0.14700 -1.0 2.0
   52    57    59    61   0.07550  1.0 3.0
   52    57    59    62   0.34400  1.0 1.0
   52    57    59    62   0.09450 -1.0 2.0
   52    57    59    62   0.11100  1.0 3.0
   52    57    73    64  -0.82050  1.0 1.0
   52    57    73    64   0.00600 -1.0 2.0
   52    57    73    64   0.04400  1.0 3.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    73   0.00000  1.0 1.0
   57    59   -61    64   0.09700  1.0 1.0
   57    59   -61    64   0.15600 -1.0 2.0
   57    59   -61    64  -0.50800  1.0 3.0
   57    59    61    66   0.09850  1.0 1.0
   57    59    61    66   0.15250 -1.0 2.0
   57    59    61    66  -0.50650  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59    62    69   0.56750  1.0 1.0
   57    59    62    69  -0.07550 -1.0 2.0
   57    59    62    69   0.20000  1.0 3.0
   57    59    62    72   0.62750  1.0 1.0
   57    59    62    72  -0.30950 -1.0 2.0
   57    59    62    72   0.27300  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    73    64   0.08050  1.0 3.0
   59    57   -73    64  -0.25900  1.0 1.0
   59    57   -73    64  -0.47000 -1.0 2.0
   59    57   -73    64   0.11750  1.0 3.0
   59    61    64    65  -0.64400  1.0 1.0
   59    61    64    65   0.26850 -1.0 2.0
   59    61   -64    73  -0.15000  1.0 1.0
   59    61   -64    73   0.89550 -1.0 2.0
   59    61   -64    73  -0.06900  1.0 3.0
   59    61    66    67   7.00000 -1.0 2.0
   59    61    66    68   7.00000 -1.0 2.0
   59    62    69    70   0.15000  1.0 3.0
   59    62    69    71   0.15000  1.0 3.0
   59    62    69    41   0.56750  1.0 1.0
   59    62    69    41  -0.07550 -1.0 2.0
   59    62    69    41   0.20000  1.0 3.0
   59    62    72    74  -0.25900  1.0 1.0
   59    62    72    74  -0.47000 -1.0 2.0
   59    62    72    74   0.11750  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    66   0.00000  1.0 1.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    69   0.15000  1.0 3.0
   60    59    62    72   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    69   0.34400  1.0 1.0
   61    59    62    69   0.09450 -1.0 2.0
   61    59    62    69   0.11100  1.0 3.0
   61    59    62    72   0.61850  1.0 1.0
   61    59    62    72  -0.22750 -1.0 2.0
   61    59    62    72   0.15300  1.0 3.0
   61    64   -73    57   2.00000 -1.0 2.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   65    64    73    57   3.00000 -1.0 2.0
   73    57    59    60   0.23400  1.0 3.0
   73    57   -59    61   0.61850  1.0 1.0
   73    57   -59    61  -0.22750 -1.0 2.0
   73    57   -59    61   0.15300  1.0 3.0
   73    57    59    62   0.62750  1.0 1.0
   73    57    59    62  -0.30950 -1.0 2.0
   73    57    59    62   0.27300  1.0 3.0
   66    61    64    65   1.00000 -1.0 2.0
   66    61    64    73  -0.56150  1.0 1.0
   66    61    64    73   2.19150 -1.0 2.0
   62    59    61    64   0.09700  1.0 1.0
   62    59    61    64   0.15600 -1.0 2.0
   62    59    61    64  -0.50800  1.0 3.0
   62    59    61    66   0.09850  1.0 1.0
   62    59    61    66   0.15250 -1.0 2.0
   62    59    61    66  -0.50650  1.0 3.0
   62    69    41    33   0.56750  1.0 1.0
   62    69    41    33  -0.07550 -1.0 2.0
   62    69    41    33   0.20000  1.0 3.0
   62    69    41    42   0.62750  1.0 1.0
   62    69    41    42  -0.30950 -1.0 2.0
   62    69    41    42   0.27300  1.0 3.0
   62    69    41    46   3.97050  1.0 1.0
   62    72    74    75   3.00000 -1.0 2.0
   62    72    74    76   2.00000 -1.0 2.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    41   0.15000  1.0 3.0
   63    62    72    74   0.08050  1.0 3.0
   69    62    72    74  -0.25900  1.0 1.0
   69    62    72    74  -0.47000 -1.0 2.0
   69    62    72    74   0.11750  1.0 3.0
   69    41    46    47   0.15000  1.0 3.0
   69    41    46    49   0.62750  1.0 1.0
   69    41    46    49  -0.30950 -1.0 2.0
   69    41    46    49   0.27300  1.0 3.0
   69    41    46    50   0.86500  1.0 1.0
   69    41    46    50  -0.17500 -1.0 2.0
   69    41    46    50   0.20800  1.0 3.0
   70    69    41    33   0.15000  1.0 3.0
   70    69    41    42   0.23400  1.0 3.0
   70    69    41    46   0.15000  1.0 3.0
   71    69    41    33   0.15000  1.0 3.0
   71    69    41    42   0.23400  1.0 3.0
   71    69    41    46   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    46    49    54   0.06250  1.0 1.0
   41    46    49    54  -0.01100 -1.0 2.0
   41    46    49    54   0.28050  1.0 3.0
   41    46    50    51  -0.11600  1.0 1.0
   41    46    50    51  -0.09450 -1.0 2.0
   41    46    50    51   0.21250  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    49   1.11900  1.0 1.0
   42    41    46    49  -1.16350 -1.0 2.0
   42    41    46    49  -0.34150  1.0 3.0
   42    41    46    50   3.69350  1.0 1.0
   42    41    46    50  -1.82950 -1.0 2.0
   46    49    54    48  -0.77900  1.0 1.0
   46    49    54    48  -0.36900 -1.0 2.0
   46    49    54    48   0.40400  1.0 3.0
   46    49    54    55   0.37050  1.0 3.0
   46    49    54    56   0.37050  1.0 3.0
   47    46    49    54   0.37050  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   49    46    50    51  -0.50000  1.0 1.0
   49    46    50    51  -0.73950 -1.0 2.0
   49    46    50    51   0.17150  1.0 3.0
   54    48    52    53   7.00000 -1.0 2.0
   54    48    52    57   7.00000 -1.0 2.0
   50    46    49    54  -0.70900  1.0 1.0
   50    46    49    54  -1.18000 -1.0 2.0
   50    46    49    54   0.91650  1.0 3.0
   72    62    69    70   0.23400  1.0 3.0
   72    62    69    71   0.23400  1.0 3.0
   72    62    69    41   0.62750  1.0 1.0
   72    62    69    41  -0.30950 -1.0 2.0
   72    62    69    41   0.27300  1.0 3.0
   72    74    76    77  -0.56150  1.0 1.0
   72    74    76    77   2.19150 -1.0 2.0
   72    74    76    80  -0.15000  1.0 1.0
   72    74    76    80   0.89550 -1.0 2.0
   72    74    76    80  -0.06900  1.0 3.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    79   7.00000 -1.0 2.0
   74    76    80    81   0.15000  1.0 3.0
   74    76    80    82   0.15000  1.0 3.0
   74    76    80    83   0.15000  1.0 3.0
   75    74    76    77   1.00000 -1.0 2.0
   75    74    76    80  -0.64400  1.0 1.0
   75    74    76    80   0.26850 -1.0 2.0
   77    76    80    81   0.00000  1.0 1.0
   77    76    80    82   0.00000  1.0 1.0
   77    76    80    83   0.00000  1.0 1.0
   80    76    77    78   7.00000 -1.0 2.0
   80    76    77    79   7.00000 -1.0 2.0
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
   43    54    48    52   1.10000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   59    64    61    66   1.10000 -1.0 2.0
   61    73    64    65  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
   74    80    76    77  15.00000 -1.0 2.0
   78    79    77    76  15.00000 -1.0 2.0
END
