* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    149    219     438
    1     0 S   NP   _N1_     1    30.98982    92.95939   -26.75824
    2     1 S   H    _HN1     2     1.03238    90.65569    20.92069
    3     1 S   H    _H1_     3     1.02697    24.07930  -114.22661
    4     1 S   H    _H2_     4     1.03119   130.83124   -91.53186
    5     1 S   CT   _CA1     5     1.50047   103.43890   132.38711
    6     5 S   HC   _HA1     6     1.09580   105.24941    83.30397
    7     5 S   CO3  _C1_     7     1.53725   112.67947   -36.85964
    8     7 S   O2Z  _O11     8     1.26324   115.27907   -45.97820
    9     7 S   O2Z  _O12     9     1.26308   114.85569   133.37672
   10     5 S   CT   _CB1    10     1.52938   107.11209  -159.19709
   11    10 S   HC   HB11    11     1.09775   108.82749   -53.86751
   12    10 S   HC   HB12    12     1.09830   110.38165    62.46831
   13    10 S   CT   _CG1    13     1.52920   113.57373  -175.01163
   14    13 S   HC   HG11    14     1.09570   110.38599   -64.15717
   15    13 S   HC   HG12    15     1.09600   110.41419    55.46886
   16    13 S   C    _CD1    16     1.51732   111.22521   175.15936
   17    16 S   O    _OE1    17     1.22832   123.04723   -15.64768
   18    16 S   N    _N2_    18     1.38669   112.31294   165.27047
   19    18 S   H    _HN2    19     1.01572   119.30342     3.28623
   20    18 S   CT1  _CA2    20     1.45929   122.62860  -179.90309
   21    20 S   HC   _HA2    21     1.09478   108.95524     4.90564
   22    20 S   C    _C2_    22     1.53579   109.64656  -110.04037
   23    22 S   O    _O2_    23     1.23105   122.01263  -150.99856
   24    20 S   CT   _CB2    32     1.53408   112.33423   126.85498
   25    24 S   HC   HB21    33     1.09692   109.25190    68.97441
   26    24 S   HC   HB22    34     1.09586   110.37966  -174.95826
   27    22 S   N    _N3_    24     1.38250   114.04689    36.53003
   28    27 S   H    _HN3    25     1.01585   119.69940    -3.55121
   29    24 S   S    _SG2    35     1.83379   116.92162   -50.82633
   30    27 S   CT   _CA3    26     1.45304   123.01972   176.79545
   31    30 S   HC   HA31    27     1.09556   107.50750   -63.77942
   32    30 S   HC   HA32    28     1.09560   107.95321    52.61208
   33    29 S   CT   _C9_    36     1.83949   102.22606   -52.94619
   34    33 S   HC   _H3_    37     1.09395   106.62302    63.05454
   35    30 S   CO3  _C3_    29     1.52912   114.20506   174.59238
   36    35 S   O2Z  _O31    30     1.26348   116.07398    -1.50415
   37    35 S   O2Z  _O32    31     1.26435   114.40054   178.56783
   38    33 S   CM   _C10    38     1.51536   111.34516   -57.59268
   39    33 S   CT   _C8_    71     1.54324   108.49024   178.68478
   40    39 S   HC   _H11    72     1.09873   109.88414   -49.49208
   41    39 S   HC   _H12    73     1.09590   111.08324    67.15687
   42    38 S   CM   _C11    39     1.34437   121.53040   129.35006
   43    42 S   HC   _H13    40     1.08671   117.81530     0.27695
   44    38 S   OH   _O35    69     1.38415   117.08805   -51.38305
   45    44 S   HO   _H30    70     0.97325   107.47102     6.28584
   46    39 S   CM   _C7_    74     1.50655   112.09054  -167.50797
   47    46 S   HC   _H10    75     1.08933   115.16831    71.49328
   48    42 S   CM   _C12    41     1.44551   125.24593   179.37536
   49    48 S   HC   _H14    42     1.08813   116.69266    -0.63304
   50    46 S   CM   _C6_    76     1.34177   127.62237  -109.44095
   51    50 S   HC   _H9_    77     1.08914   117.15034  -179.26885
   52    48 S   CM   _C13    43     1.34279   125.84746  -179.38515
   53    52 S   HC   _H15    44     1.08904   117.20384   178.52130
   54    50 S   CT   _C5_    78     1.50001   127.45947     2.19820
   55    54 S   HC   _H7_    79     1.09637   108.37768   127.24028
   56    54 S   HC   _H8_    80     1.09363   112.15825    10.27598
   57    52 S   CT   _C14    45     1.50432   127.59391    -1.74820
   58    57 S   HC   _H16    46     1.09700   108.20118  -140.05342
   59    57 S   HC   _H17    47     1.09370   111.03641   -24.35943
   60    54 S   CT   _C4_    81     1.52045   111.30867  -112.51894
   61    60 S   HC   _H4_    82     1.09529   111.12878    61.85361
   62    60 S   HC   _H5_    83     1.09473   110.19209  -178.47171
   63    60 S   HC   _H6_    84     1.09532   111.29503   -58.77556
   64    57 S   CT   _C15    48     1.52948   111.04460    99.40938
   65    64 S   HC   _H18    49     1.09658   110.21031   -58.68833
   66    64 S   HC   _H19    50     1.09809   109.05984    57.32044
   67    64 S   CT   _C16    51     1.53150   113.38422   177.61485
   68    67 S   HC   _H20    52     1.09713   108.96698   -59.66995
   69    67 S   HC   _H21    53     1.09735   108.23589  -174.77273
   70    67 S   CT   _C17    54     1.53268   115.91392    63.00383
   71    70 S   HC   _H22    55     1.09743   107.70813   179.97202
   72    70 S   HC   _H23    56     1.09591   110.24602   -64.56113
   73    70 S   CT   _C18    57     1.53068   113.54844    59.04692
   74    73 S   HC   _H24    58     1.09606   109.92571   -67.64362
   75    73 S   HC   _H25    59     1.09667   109.60421    50.10828
   76    73 S   CT   _C19    60     1.53121   111.32000   171.23494
   77    76 S   HC   _H26    61     1.09698   109.41899   -58.60348
   78    76 S   HC   _H27    62     1.09692   109.69584    58.34198
   79    76 S   CT   _C20    63     1.52542   111.40992   179.96044
   80    79 S   HC   _H28    64     1.09706   109.26582   -59.90827
   81    79 S   HC   _H29    65     1.09699   109.57627    57.39164
   82    79 S   CO3  _C21    66     1.52975   115.32475   178.63872
   83    82 S   O2Z  _O34    67     1.26570   114.34528   173.69793
   84    82 S   O2Z  _O33    68     1.26196   117.07560    -5.46813
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  11   9   4   3   8   4   2   1   7   3   7
   3   8   4   8   4   6   5   4   9   5   4   3   2   1   1   9
   5   4   9   5   4   9   5   4   9   5   4   8   5   4   5   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    44    39    40    41    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    48    44    45    39    40    41    46    47    50  
   38    42    44    39    40    41    46  
   36    37  
   37  
    0  
   42    43    48    49    52    44    45    39    40    41    46  
   40    41    46    47    50    51    54    42    44  
   41    46    47    50  
   46    47    50  
   43    48    49    52    53    57    44    45  
   48    49    52    44  
   45    48  
    0  
   47    50    51    54    55    56    60  
   50    51    54  
   49    52    53    57    58    59    64  
   52    53    57  
   51    54    55    56    60    61    62    63  
   54    55    56    60  
   53    57    58    59    64    65    66    67  
   57    58    59    64  
   55    56    60    61    62    63  
   56    60    61    62    63  
   60    61    62    63  
   58    59    64    65    66    67    68    69    70  
   59    64    65    66    67  
   64    65    66    67  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    74    75    76  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   549.000  1.340
   38    44   510.000  1.338
   42    43   340.000  1.080
   42    48   380.000  1.444
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    53   340.000  1.080
   52    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   317.000  1.522
   82    83   656.000  1.250
   82    84   656.000  1.250
   44    45   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    46   317.000  1.510
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   340.000  1.080
   50    54   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    90.00000  109.34000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    46    70.00000  112.02700
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    48    70.00000  123.01800
   38    44    45    70.00000  107.45700
   42    48    49    35.00000  120.00000
   42    48    52    70.00000  123.01800
   48    42    43    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    57    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    64    70.00000  112.02700
   57    52    53    35.00000  117.00000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    58.35000  112.70000
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    70.00000  109.69300
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    70.00000  117.00000
   79    82    84    70.00000  117.00000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   84    82    83    80.00000  126.00000
   44    38    42    80.00000  121.38400
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    46    47    35.00000  117.00000
   39    46    50    70.00000  124.00000
   41    39    40    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    41    35.00000  109.50000
   46    50    51    35.00000  120.00000
   46    50    54    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    60    70.00000  112.02700
   54    50    51    35.00000  117.00000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -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    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    38    44    45   2.00000 -1.0 2.0
   33    39    46    47   0.00000  1.0 1.0
   33    39    46    50   0.09850  1.0 1.0
   33    39    46    50   0.15250 -1.0 2.0
   33    39    46    50  -0.50650  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    46   0.31000  1.0 1.0
   38    33    39    46   0.14700 -1.0 2.0
   38    33    39    46   0.07550  1.0 3.0
   38    42    48    49  -0.18600  1.0 3.0
   38    42    48    52   0.28850  1.0 1.0
   38    42    48    52   2.61350 -1.0 2.0
   38    42    48    52   0.78400  1.0 3.0
   42    38    44    45  -0.66100  1.0 1.0
   42    38    44    45   1.20850 -1.0 2.0
   42    38    44    45  -0.36000  1.0 3.0
   42    48    52    53   7.00000 -1.0 2.0
   42    48    52    57   7.00000 -1.0 2.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    52  -0.18600  1.0 3.0
   48    52    57    58   0.00000  1.0 1.0
   48    52    57    59   0.00000  1.0 1.0
   48    52    57    64   0.09850  1.0 1.0
   48    52    57    64   0.15250 -1.0 2.0
   48    52    57    64  -0.50650  1.0 3.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    57   7.00000 -1.0 2.0
   52    57    64    65   0.15000  1.0 3.0
   52    57    64    66   0.15000  1.0 3.0
   52    57    64    67   0.34400  1.0 1.0
   52    57    64    67   0.09450 -1.0 2.0
   52    57    64    67   0.11100  1.0 3.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    59   0.33100  1.0 3.0
   53    52    57    64   0.00000  1.0 1.0
   57    64    67    68   0.15000  1.0 3.0
   57    64    67    69   0.15000  1.0 3.0
   57    64    67    70   0.56750  1.0 1.0
   57    64    67    70  -0.07550 -1.0 2.0
   57    64    67    70   0.20000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    66   0.15000  1.0 3.0
   59    57    64    67   0.15000  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.56750  1.0 1.0
   64    67    70    73  -0.07550 -1.0 2.0
   64    67    70    73   0.20000  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.15000  1.0 3.0
   67    70    73    74   0.15000  1.0 3.0
   67    70    73    75   0.15000  1.0 3.0
   67    70    73    76   0.56750  1.0 1.0
   67    70    73    76  -0.07550 -1.0 2.0
   67    70    73    76   0.20000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79   0.56750  1.0 1.0
   70    73    76    79  -0.07550 -1.0 2.0
   70    73    76    79   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82  -1.63150  1.0 1.0
   73    76    79    82  -0.43550 -1.0 2.0
   73    76    79    82   0.24500  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.41150 -1.0 2.0
   76    79    82    84   0.41150 -1.0 2.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82  -0.11250  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82  -0.11250  1.0 3.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   81    79    82    84   0.00000  1.0 1.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    48   7.00000 -1.0 2.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -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    46    50    51   7.00000 -1.0 2.0
   39    46    50    54   7.00000 -1.0 2.0
   40    39    46    47   0.33100  1.0 3.0
   40    39    46    50   0.00000  1.0 1.0
   41    39    46    47   0.33100  1.0 3.0
   41    39    46    50   0.00000  1.0 1.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    60   0.09850  1.0 1.0
   46    50    54    60   0.15250 -1.0 2.0
   46    50    54    60  -0.50650  1.0 3.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    54   7.00000 -1.0 2.0
   50    54    60    61   0.15000  1.0 3.0
   50    54    60    62   0.15000  1.0 3.0
   50    54    60    63   0.15000  1.0 3.0
   51    50    54    55   0.33100  1.0 3.0
   51    50    54    56   0.33100  1.0 3.0
   51    50    54    60   0.00000  1.0 1.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   56    54    60    61   0.15000  1.0 3.0
   56    54    60    62   0.15000  1.0 3.0
   56    54    60    63   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    44    38    42  15.00000 -1.0 2.0
   48    43    42    38  15.00000 -1.0 2.0
   42    49    48    52  15.00000 -1.0 2.0
   57    53    52    48  15.00000 -1.0 2.0
   83    79    82    84  10.50000 -1.0 2.0
   39    47    46    50  15.00000 -1.0 2.0
   54    51    50    46  15.00000 -1.0 2.0
END
