* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    164    262     485
    1     0 S   NP   _N1_     1    28.74257    96.20954   -26.03969
    2     1 S   H    _HN1     2     1.02779   121.29240  -110.88552
    3     1 S   H    _H1_     3     1.02953    76.06647    -7.64563
    4     1 S   H    _H2_     4     1.02833    31.10116   177.28625
    5     1 S   CT   _CA1     5     1.50116   120.67493    98.04435
    6     5 S   HC   _HA1     6     1.09572   105.21094    92.07127
    7     5 S   CO3  _C1_     7     1.53796   112.40621   -28.17329
    8     7 S   O2Z  _O11     8     1.26372   114.99747   -43.04705
    9     7 S   O2Z  _O12     9     1.26234   114.94729   136.08803
   10     5 S   CT   _CB1    10     1.53093   107.43191  -149.93755
   11    10 S   HC   HB11    11     1.09829   109.40067   -49.75058
   12    10 S   HC   HB12    12     1.09813   110.42924    66.85420
   13    10 S   CT   _CG1    13     1.52993   112.60598  -170.74246
   14    13 S   HC   HG11    14     1.09584   110.59072   -64.72988
   15    13 S   HC   HG12    15     1.09670   109.83919    54.48797
   16    13 S   C    _CD1    16     1.51799   112.27897   174.94747
   17    16 S   O    _OE1    17     1.22738   123.39867     4.84112
   18    16 S   N    _N2_    18     1.38631   111.69627  -175.11236
   19    18 S   H    _HN2    19     1.01586   119.07594     0.49059
   20    18 S   CT1  _CA2    20     1.46009   122.66455   178.81932
   21    20 S   HC   _HA2    21     1.09733   108.42448    32.13515
   22    20 S   C    _C2_    22     1.53288   110.45443   -84.53378
   23    22 S   O    _O2_    23     1.23141   120.97104   161.13017
   24    20 S   CT   _CB2    32     1.53230   111.77183   154.79670
   25    24 S   HC   HB21    33     1.09567   110.23376    55.69952
   26    24 S   HC   HB22    34     1.09447   109.79503   174.39779
   27    22 S   N    _N3_    24     1.38058   114.69546   -25.66657
   28    27 S   H    _HN3    25     1.01581   119.52914     5.80022
   29    24 S   S    _SG2    35     1.82648   111.66681   -64.84994
   30    27 S   CT   _CA3    26     1.45298   123.17347  -177.26878
   31    30 S   HC   HA31    27     1.09548   107.82471   -56.28731
   32    30 S   HC   HA32    28     1.09552   107.68663    60.11821
   33    29 S   CT   _C26    36     1.82839    99.20549   178.45833
   34    33 S   HC   _H3_    37     1.09539   106.68091  -160.36181
   35    33 S   HC   _H4_    38     1.09250   107.15005   -45.86273
   36    30 S   CO3  _C3_    29     1.52926   113.98950  -177.92397
   37    36 S   O2Z  _O31    30     1.26396   115.99675     4.85519
   38    36 S   O2Z  _O32    31     1.26396   114.51689  -175.08849
   39    33 S   CT   _C19    39     1.53145   112.35954    77.92030
   40    39 S   HC   _H40    40     1.09503   112.66548   -42.39708
   41    39 S   CO4  _C15    41     1.51267   110.46723    80.28559
   42    41 S   O    _O25    42     1.22091   125.93816   -77.88161
   43    41 S   OS   _O27    43     1.36963   109.86266   101.44897
   44    43 S   CT   _C21    44     1.43773   110.01456    -4.75386
   45    44 S   HC   _H42    45     1.09887   107.23396   -89.09484
   46    44 S   CT   _C18    46     1.53999   112.18746   149.99314
   47    46 S   HC   _H39    47     1.09780   110.64697   -68.31923
   48    39 S   CT   _C20    55     1.53573   115.59491  -167.82468
   49    48 S   HC   _H41    56     1.10303   104.94991   165.10983
   50    46 S   CM   _C11    48     1.51989   111.08790   169.51543
   51    50 S   CM   _C13    49     1.34743   127.57856    58.88425
   52    50 S   CO4  _C14    79     1.49522   106.03460  -120.01742
   53    52 S   O    _O24    80     1.21631   128.23296   177.58613
   54    51 S   CT   _C17    50     1.51469   121.25999     1.04792
   55    54 S   HC   _H37    51     1.09844   109.67089    61.82904
   56    54 S   HC   _H38    52     1.09821   109.41230   175.07550
   57    51 S   CT   _C23    75     1.50706   125.87695  -179.41953
   58    57 S   HC   _H44    76     1.09565   109.78106   120.80090
   59    57 S   HC   _H45    77     1.08861   114.81015     0.23070
   60    57 S   HC   _H46    78     1.09559   109.86562  -120.26687
   61    52 S   CM   _C10    81     1.46843   108.70998    -2.44264
   62    61 S   HC   _H36    82     1.07748   123.67550  -177.09256
   63    54 S   CT   _C22    53     1.53693   114.00810   -62.84081
   64    63 S   HC   _H43    54     1.09724   110.35602   -44.63226
   65    46 S   CM   _C12    83     1.51515   114.12185    53.42129
   66    63 S   OS   _O30    57     1.44858   108.18800  -164.85633
   67    65 S   CT   _C25    84     1.49359   122.99474   -64.71700
   68    67 S   HC   _H49    85     1.09547   111.26305  -168.38259
   69    67 S   HC   _H50    86     1.09330   111.16722    71.53933
   70    66 S   CO4  _C16    58     1.36654   117.44154    87.44216
   71    70 S   O    _O26    59     1.22286   125.61868    -1.13539
   72    67 S   OH   _O29    87     1.42011   109.44313   -49.19818
   73    72 S   HO   _H54    88     0.97236   107.00943   177.72721
   74    70 S   CT   _C24    60     1.51025   108.68674   179.02723
   75    74 S   HC   _H47    61     1.09642   108.35978    61.55834
   76    74 S   HC   _H48    62     1.09634   108.84891   -55.12626
   77    74 S   CA   _C8_    63     1.50683   113.21692  -176.45945
   78    77 S   CA   _C4_    64     1.40239   120.35939    82.16091
   79    78 S   HA   _H32    65     1.08681   120.39390     0.48698
   80    78 S   CA   _C6_    66     1.39532   120.54288  -179.78150
   81    80 S   HA   _H34    67     1.08619   119.48569  -179.49063
   82    80 S   CA   _C9_    68     1.39212   119.52182     0.26761
   83    82 S   CA   _C7_    69     1.39150   120.75373     0.48819
   84    83 S   HA   _H35    70     1.08616   120.48198   179.68973
   85    82 S   OH   _O28    73     1.36625   120.99090  -179.53061
   86    85 S   HO   _H53    74     0.97274   108.36636     3.72221
   87    77 S   CA   _C5_    71     1.40199   120.53137   -96.61549
   88    87 S   HA   _H33    72     1.08714   120.42571    -0.45456
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  15   7  17   7  11
   4  15  14   7   3  10   5   4   4   2   1   1   6   2   5   2
   5   6   4   3   2   7   4   1   1   9   4   3   9   8   4   7
   3   6   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    63    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    54    63    64    48    49    66  
   41    42    43    44    63    48    49  
   42    43    44    45    46    63    48    49  
   43    44    48  
   44    45    46    47    50    63    48    49    65  
   45    46    47    50    51    54    63    64    48    49    66    52    61    65    67  
   46    47    50    63    48    49    65  
   47    50    51    54    63    48    49    57    52    53    61    62    65    67    68    69    72  
   50    51    48    52    61    65    67  
   49    66    70    65    50    51    54    55    56    63    64  
   66    54    63    64  
   51    54    55    56    63    57    58    59    60    52    53    61    62    65    67  
   54    55    56    63    64    66    57    58    59    60    52    53    61    65  
   53    61    62    65    67    54    57  
   61    62    65  
   55    56    63    64    66    70    57    58    59    60  
   56    63    64    66    57  
   63    64    66    57  
   58    59    60    63  
   59    60  
   60  
    0  
   62    65    67    68    69    72  
   65    67  
   64    66    70    71    74  
   66    70  
   67    68    69    72    73  
   70    71    74    75    76    77  
   68    69    72    73  
   69    72    73  
   72    73  
   71    74    75    76    77    78    87  
   74    75    76    77  
   73  
    0  
   75    76    77    78    79    80    83    87    88  
   76    77    78    87  
   77    78    87  
   78    79    80    81    82    83    84    87    88  
   79    80    81    82    83    87    88    85  
   80    81    82    87  
   81    82    83    84    87    85    86  
   82    83    85  
   83    84    87    88    85    86  
   84    87    88    85    86  
   87    88    85  
   86    87  
    0  
   88  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.145000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0700  -0.115000   2.5000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    65   317.000  1.510
   50    51   549.000  1.340
   50    52   320.000  1.462
   51    54   317.000  1.510
   51    57   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    48   268.000  1.529
   63    66   320.000  1.410
   48    49   340.000  1.090
   66    70   214.000  1.327
   70    71   570.000  1.229
   70    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   317.000  1.510
   77    78   469.000  1.400
   77    87   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   469.000  1.400
   82    85   450.000  1.364
   83    84   367.000  1.080
   83    87   469.000  1.400
   87    88   367.000  1.080
   85    86   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   52    53   570.000  1.229
   52    61   320.000  1.462
   61    62   340.000  1.080
   61    65   549.000  1.340
   65    67   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   320.000  1.410
   72    73   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    63    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    65    70.00000  112.02700
   44    48    63    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    70.00000  124.00000
   46    50    52    65.00000  116.34900
   46    65    61    70.00000  124.00000
   46    65    67    65.00000  117.92700
   50    46    47    35.00000  109.50000
   50    51    54    70.00000  124.00000
   50    51    57    70.00000  124.00000
   50    52    53    80.00000  123.72100
   50    52    61    65.00000  118.65900
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    63    70.00000  112.02700
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   54    63    64    37.50000  110.70000
   54    63    48    58.35000  112.70000
   54    63    66    50.00000  109.50000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    48    49    37.50000  110.70000
   63    66    70    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    63    64    37.50000  110.70000
   66    63    64    35.00000  109.50000
   66    63    48    50.00000  109.50000
   66    70    71    83.00000  123.40000
   66    70    74    81.00000  111.40000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    70.00000  110.93000
   74    70    71    80.00000  120.40000
   74    77    78    70.00000  120.00000
   74    77    87    70.00000  120.00000
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    78    79    35.00000  120.00000
   77    78    80    63.00000  120.00000
   77    87    83    63.00000  120.00000
   77    87    88    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    63.00000  120.00000
   80    82    85    70.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  120.00000
   82    83    87    63.00000  120.00000
   82    85    86    35.00000  113.00000
   83    87    88    35.00000  120.00000
   87    77    78    63.00000  120.00000
   87    83    84    35.00000  120.00000
   85    82    83    70.00000  120.00000
   57    51    54    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   52    50    51    65.00000  118.96000
   52    61    62    40.00000  117.72500
   52    61    65    65.00000  118.96000
   61    52    53    80.00000  123.72100
   61    65    67    70.00000  124.00000
   65    46    47    35.00000  109.50000
   65    46    50    70.00000  110.12100
   65    61    62    35.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    72    90.00000  110.39200
   67    72    73    55.00000  108.50000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    63   0.56750  1.0 1.0
   33    39    48    63  -0.07550 -1.0 2.0
   33    39    48    63   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    63   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    63  -0.95700  1.0 1.0
   41    39    48    63  -0.18200 -1.0 2.0
   41    39    48    63   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    65   0.61850  1.0 1.0
   43    44    46    65  -0.22750 -1.0 2.0
   43    44    46    65   0.15300  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    63   0.62750  1.0 1.0
   43    44    48    63  -0.30950 -1.0 2.0
   43    44    48    63   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.09850  1.0 1.0
   44    46    50    51   0.15250 -1.0 2.0
   44    46    50    51  -0.50650  1.0 3.0
   44    46    50    52   0.09700  1.0 1.0
   44    46    50    52   0.15600 -1.0 2.0
   44    46    50    52  -0.50800  1.0 3.0
   44    46    65    61   0.09850  1.0 1.0
   44    46    65    61   0.15250 -1.0 2.0
   44    46    65    61  -0.50650  1.0 3.0
   44    46    65    67   0.46850  1.0 1.0
   44    46    65    67   0.08550 -1.0 2.0
   44    46    65    67   0.09800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    65   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    63   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    63   0.56750  1.0 1.0
   46    44    48    63  -0.07550 -1.0 2.0
   46    44    48    63   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    54   7.00000 -1.0 2.0
   46    50    51    57   7.00000 -1.0 2.0
   46    50    52    53  -0.64400  1.0 1.0
   46    50    52    53   0.26850 -1.0 2.0
   46    50   -52    61   1.50000 -1.0 2.0
   46    65    67    68   0.34800  1.0 3.0
   46    65    67    69   0.34800  1.0 3.0
   46    65    67    72   0.18000  1.0 1.0
   46    65    67    72   0.16450 -1.0 2.0
   46    65    67    72   0.04450  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    65    61   0.00000  1.0 1.0
   47    46    65    67   0.34800  1.0 3.0
   50    46   -65    61  -0.28300  1.0 1.0
   50    46   -65    61   0.26700 -1.0 2.0
   50    46   -65    61  -0.63300  1.0 3.0
   50    46    65    67   0.09700  1.0 1.0
   50    46    65    67   0.15600 -1.0 2.0
   50    46    65    67  -0.50800  1.0 3.0
   50    51    54    55   0.00000  1.0 1.0
   50    51    54    56   0.00000  1.0 1.0
   50    51    54    63   0.09850  1.0 1.0
   50    51    54    63   0.15250 -1.0 2.0
   50    51    54    63  -0.50650  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.00000  1.0 1.0
   50    51    57    60   0.00000  1.0 1.0
   50    52    61    62   0.93700 -1.0 2.0
   50    52   -61    65  -1.18350  1.0 1.0
   50    52   -61    65   1.45950 -1.0 2.0
   51    50    52    53   1.00000 -1.0 2.0
   51    50    52    61  -1.18350  1.0 1.0
   51    50    52    61   1.45950 -1.0 2.0
   51    54    63    64   0.15000  1.0 3.0
   51    54    63    48   0.34400  1.0 1.0
   51    54    63    48   0.09450 -1.0 2.0
   51    54    63    48   0.11100  1.0 3.0
   51    54    63    66   0.61850  1.0 1.0
   51    54    63    66  -0.22750 -1.0 2.0
   51    54    63    66   0.15300  1.0 3.0
   54    51    57    58   0.34800  1.0 3.0
   54    51    57    59   0.34800  1.0 3.0
   54    51    57    60   0.34800  1.0 3.0
   54    63    48    39   0.56750  1.0 1.0
   54    63    48    39  -0.07550 -1.0 2.0
   54    63    48    39   0.20000  1.0 3.0
   54    63    48    44   0.56750  1.0 1.0
   54    63    48    44  -0.07550 -1.0 2.0
   54    63    48    44   0.20000  1.0 3.0
   54    63    48    49   0.15000  1.0 3.0
   54    63    66    70  -0.25900  1.0 1.0
   54    63    66    70  -0.47000 -1.0 2.0
   54    63    66    70   0.11750  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    48   0.15000  1.0 3.0
   55    54    63    66   0.23400  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    48   0.15000  1.0 3.0
   56    54    63    66   0.23400  1.0 3.0
   63    66    70    71   3.00000 -1.0 2.0
   63    66    70    74   1.63150  1.0 1.0
   63    66    70    74   2.92000 -1.0 2.0
   64    63    48    39   0.15000  1.0 3.0
   64    63    48    44   0.15000  1.0 3.0
   64    63    48    49   0.15000  1.0 3.0
   64    63    66    70   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    65   0.34400  1.0 1.0
   48    44    46    65   0.09450 -1.0 2.0
   48    44    46    65   0.11100  1.0 3.0
   48    63    66    70  -0.25900  1.0 1.0
   48    63    66    70  -0.47000 -1.0 2.0
   48    63    66    70   0.11750  1.0 3.0
   66    63    48    39   0.62750  1.0 1.0
   66    63    48    39  -0.30950 -1.0 2.0
   66    63    48    39   0.27300  1.0 3.0
   66    63    48    44   0.62750  1.0 1.0
   66    63    48    44  -0.30950 -1.0 2.0
   66    63    48    44   0.27300  1.0 3.0
   66    63    48    49   0.23400  1.0 3.0
   66    70    74    75   0.00000  1.0 1.0
   66    70    74    76   0.00000  1.0 1.0
   66    70    74    77   0.40000  1.0 3.0
   70    74    77    78   0.04300 -1.0 2.0
   70    74    77    87   0.04300 -1.0 2.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    76   0.00000  1.0 1.0
   71    70    74    77   0.30150 -1.0 2.0
   74    77    78    79   3.62500 -1.0 2.0
   74    77    78    80   3.62500 -1.0 2.0
   74    77    87    83   3.62500 -1.0 2.0
   74    77    87    88   3.62500 -1.0 2.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    87   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   76    74    77    87   0.00000  1.0 1.0
   77    78    80    81   3.62500 -1.0 2.0
   77    78    80    82   3.62500 -1.0 2.0
   78    77    87    83   3.62500 -1.0 2.0
   78    77    87    88   3.62500 -1.0 2.0
   78    80   -82    83   3.62500 -1.0 2.0
   78    80    82    85   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82    83    84   3.62500 -1.0 2.0
   80    82    83    87   3.62500 -1.0 2.0
   80    82    85    86   0.84100 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    85   3.62500 -1.0 2.0
   82    83   -87    77   3.62500 -1.0 2.0
   82    83    87    88   3.62500 -1.0 2.0
   83    82    85    86   0.84100 -1.0 2.0
   84    83    87    77   3.62500 -1.0 2.0
   84    83    87    88   3.62500 -1.0 2.0
   87    77    78    79   3.62500 -1.0 2.0
   87    77   -78    80   3.62500 -1.0 2.0
   85    82    83    84   3.62500 -1.0 2.0
   85    82    83    87   3.62500 -1.0 2.0
   57    51    54    55   0.34800  1.0 3.0
   57    51    54    56   0.34800  1.0 3.0
   57    51    54    63   0.46850  1.0 1.0
   57    51    54    63   0.08550 -1.0 2.0
   57    51    54    63   0.09800  1.0 3.0
   52    50    51    54   7.00000 -1.0 2.0
   52    50    51    57   7.00000 -1.0 2.0
   52    61   -65    46   7.00000 -1.0 2.0
   52    61    65    67   7.00000 -1.0 2.0
   53    52    61    62   0.00000  1.0 1.0
   53    52    61    65   1.00000 -1.0 2.0
   61    65    67    68   0.00000  1.0 1.0
   61    65    67    69   0.00000  1.0 1.0
   61    65    67    72   0.67800  1.0 1.0
   61    65    67    72   0.47050 -1.0 2.0
   61    65    67    72  -0.62500  1.0 3.0
   62    61    65    46   7.00000 -1.0 2.0
   62    61    65    67   7.00000 -1.0 2.0
   65    46    50    51  -0.28300  1.0 1.0
   65    46    50    51   0.26700 -1.0 2.0
   65    46    50    51  -0.63300  1.0 3.0
   65    46   -50    52   0.09700  1.0 1.0
   65    46   -50    52   0.15600 -1.0 2.0
   65    46   -50    52  -0.50800  1.0 3.0
   65    67    72    73  -0.07800  1.0 1.0
   65    67    72    73  -0.21500 -1.0 2.0
   65    67    72    73  -0.03150  1.0 3.0
   68    67    72    73   0.19450  1.0 3.0
   69    67    72    73   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    52    50    51   1.10000 -1.0 2.0
   54    57    51    50   1.10000 -1.0 2.0
   66    74    70    71  10.50000 -1.0 2.0
   78    87    77    74   4.00000 -1.0 2.0
   80    79    78    77   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   83    85    82    80   4.00000 -1.0 2.0
   87    84    83    82   1.10000 -1.0 2.0
   83    88    87    77   1.10000 -1.0 2.0
   50    61    52    53  10.50000 -1.0 2.0
   52    62    61    65   1.10000 -1.0 2.0
   46    67    65    61   1.10000 -1.0 2.0
END
