* LIGAND DATABASE FILE (OPLS2005)
*
001      86    85    151    217     437
    1     0 S   NP   _N1_     1    30.00834    92.03756   -21.91796
    2     1 S   H    _HN1     2     1.02725    11.49408   -18.97307
    3     1 S   H    _H1_     3     1.03519   117.55951   -50.41926
    4     1 S   H    _H2_     4     1.02897   107.77489    71.23454
    5     1 S   CT   _CA1     5     1.49987   101.08933  -172.61459
    6     5 S   HC   _HA1     6     1.09561   105.26410    62.60961
    7     5 S   CO3  _C1_     7     1.53660   112.83563   -57.93629
    8     7 S   O2Z  _O11     8     1.26362   115.12211   -40.20444
    9     7 S   O2Z  _O12     9     1.26266   115.00536   139.31275
   10     5 S   CT   _CB1    10     1.52887   107.26010  -179.41717
   11    10 S   HC   HB11    11     1.09731   109.27253   -50.59097
   12    10 S   HC   HB12    12     1.09823   110.34585    65.64760
   13    10 S   CT   _CG1    13     1.52949   113.17096  -171.41872
   14    13 S   HC   HG11    14     1.09506   111.32700   -71.95398
   15    13 S   HC   HG12    15     1.09594   110.86767    47.79941
   16    13 S   C    _CD1    16     1.51253   109.55617   166.93526
   17    16 S   O    _OE1    17     1.22844   121.72999  -101.78284
   18    16 S   N    _N2_    18     1.38338   112.96894    76.35666
   19    18 S   H    _HN2    19     1.01485   119.57413     5.43235
   20    18 S   CT1  _CA2    20     1.45648   122.16031  -173.04373
   21    20 S   HC   _HA2    21     1.09563   107.66295    33.86606
   22    20 S   C    _C2_    22     1.52864   107.80702   -83.60671
   23    22 S   O    _O2_    23     1.23012   122.86607   -31.34498
   24    20 S   CT   _CB2    32     1.53313   112.62698   156.48321
   25    24 S   HC   HB21    33     1.09447   109.43508    60.21475
   26    24 S   HC   HB22    34     1.09430   109.65634   178.38299
   27    22 S   N    _N3_    24     1.38550   112.66361   151.53268
   28    27 S   H    _HN3    25     1.01896   120.05787    -1.41789
   29    24 S   S    _SG2    35     1.82858   111.65463   -59.92917
   30    27 S   CT   _CA3    26     1.45303   122.37501   178.56360
   31    30 S   HC   HA31    27     1.09583   107.36777   -61.59224
   32    30 S   HC   HA32    28     1.09569   107.88955    54.50928
   33    29 S   CT   _C11    36     1.85496   101.43799  -169.25636
   34    33 S   OM   _O43    37     1.31947   109.79612  -174.19377
   35    30 S   CO3  _C3_    29     1.52885   114.77498   176.34061
   36    35 S   O2Z  _O31    30     1.26268   116.31607   -11.12134
   37    35 S   O2Z  _O32    31     1.26504   114.30173   169.20307
   38    33 S   CM   _C12    38     1.53544   109.62780    66.62416
   39    38 S   HC   _H12    39     1.09208   113.35782  -118.64157
   40    33 S   CT   _C10    68     1.55708   111.55990   -54.66620
   41    40 S   HC   _H10    69     1.10086   111.41213  -172.10216
   42    40 S   HC   _H11    70     1.09893   108.99951    72.32058
   43    38 S   CMA  _C13    40     1.35937   130.81037    59.86085
   44    43 S   OM   _O42    41     1.26283   132.32943     2.16410
   45    40 S   CO4  _C9_    71     1.53388   117.54586   -49.24056
   46    45 S   O    _O35    72     1.23019   123.13983   -37.23913
   47    43 S   CT   _C14    42     1.52390   116.40661  -179.31729
   48    47 S   HC   _H13    43     1.09901   110.87425   -32.31975
   49    47 S   HC   _H14    44     1.09874   113.40919  -149.53891
   50    45 S   CT   _C8_    73     1.51413   115.75631   146.53464
   51    50 S   HC   _H8_    74     1.09519   107.91966    72.39418
   52    50 S   HC   _H9_    75     1.09461   109.85882   -45.27839
   53    47 S   CO4  _C15    45     1.52415   111.18042    87.08437
   54    53 S   O    _O36    46     1.23261   121.19249   -96.67655
   55    50 S   CO4  _C7_    76     1.51206   114.48312  -166.21824
   56    55 S   O    _O34    77     1.23096   120.59863  -115.01131
   57    53 S   CT   _C16    47     1.51332   117.65078    80.99421
   58    57 S   HC   _H15    48     1.09510   108.69442   144.70266
   59    57 S   HC   _H16    49     1.09462   108.52682    28.46526
   60    55 S   CT   _C6_    78     1.51570   116.74622    68.91735
   61    60 S   HC   _H6_    79     1.09538   106.81475    77.87530
   62    60 S   HC   _H7_    80     1.09421   109.67787   -39.71806
   63    57 S   CO4  _C17    50     1.51103   113.93084   -94.23602
   64    63 S   O    _O37    51     1.22990   121.61524   -29.02865
   65    60 S   CO4  _C5_    81     1.51292   115.76893  -160.79221
   66    65 S   O    _O33    82     1.22993   122.77818    26.25096
   67    63 S   CT   _C18    52     1.51127   116.65851   154.38220
   68    67 S   HC   _H17    53     1.09514   108.20094    75.55790
   69    67 S   HC   _H18    54     1.09485   109.72727   -41.78354
   70    65 S   CT   _C4_    83     1.50637   116.22977  -155.39326
   71    70 S   HC   _H3_    84     1.09266   109.49067    67.60974
   72    70 S   HC   _H4_    85     1.09341   109.80048  -172.66096
   73    70 S   HC   _H5_    86     1.09212   109.56418   -53.22511
   74    67 S   CO4  _C19    55     1.51500   114.26953  -162.95134
   75    74 S   O    _O38    56     1.23032   120.48775  -107.10489
   76    74 S   CT   _C20    57     1.51571   116.41654    70.78311
   77    76 S   HC   _H19    58     1.09294   107.36871   -78.80172
   78    76 S   HC   _H20    59     1.09525   107.93182    38.97296
   79    76 S   CO4  _C21    60     1.51621   117.40438   159.35804
   80    79 S   O    _O39    61     1.22923   122.71156    -3.95592
   81    79 S   CT   _C22    62     1.51663   115.09507   176.11526
   82    81 S   HC   _H21    63     1.09480   108.48782   -68.56782
   83    81 S   HC   _H22    64     1.09566   108.80297    49.04351
   84    81 S   CO3  _C23    65     1.52233   111.88049   169.09416
   85    84 S   O2Z  _O41    66     1.26447   115.19987   104.15694
   86    84 S   O2Z  _O40    67     1.26321   115.27464   -77.42032
  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
  12   7   2   1   1  11   4   9   4   3   7   4   7   4   8   4
   3   8   4   3   7   4   7   4   8   4   3   8   4   3   7   4
   5   4   8   4   3   3   2   1   1   7   4   8   4   3   7   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    53    40    41    42    45  
   43    44    47    40  
   41    42    45    46    50    51    52    55    43  
   42    45    46    50  
   45    46    50  
   44    47    48    49    53    54    57  
   47    48    49    53  
   46    50    51    52    55    56    60  
   50    51    52    55  
   48    49    53    54    57    58    59    63  
   49    53    54    57  
   53    54    57  
   51    52    55    56    60    61    62    65  
   52    55    56    60  
   55    56    60  
   54    57    58    59    63    64    67  
   57    58    59    63  
   56    60    61    62    65    66    70  
   60    61    62    65  
   58    59    63    64    67    68    69    74  
   59    63    64    67  
   63    64    67  
   61    62    65    66    70    71    72    73  
   62    65    66    70  
   65    66    70  
   64    67    68    69    74    75    76  
   67    68    69    74  
   66    70    71    72    73  
   70    71    72    73  
   68    69    74    75    76    77    78    79  
   69    74    75    76  
   74    75    76  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78    79  
   77    78    79    80    81    82    83    84  
   78    79    80    81  
   79    80    81  
   80    81    82    83    84    85    86  
   81    82    83    84  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   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   570.000  1.307
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   317.000  1.522
   53    54   570.000  1.229
   53    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   317.000  1.522
   63    64   570.000  1.229
   63    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   317.000  1.522
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.522
   79    80   570.000  1.229
   79    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   317.000  1.522
   84    85   656.000  1.250
   84    86   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   317.000  1.522
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   317.000  1.522
   65    66   570.000  1.229
   65    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    43    44    65.00000  137.10300
   38    43    47    65.00000  122.18000
   43    38    39    40.00000  120.50800
   43    47    48    45.00000  110.52000
   43    47    49    45.00000  110.52000
   43    47    53    70.00000  109.06800
   47    43    44    85.00000  112.85300
   47    53    54    80.00000  120.40000
   47    53    57    70.00000  116.00000
   49    47    48    33.00000  107.80000
   53    47    48    35.00000  109.50000
   53    47    49    35.00000  109.50000
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    63    75.00000  107.99600
   57    53    54    80.00000  120.40000
   57    63    64    80.00000  120.40000
   57    63    67    70.00000  116.00000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    74    75.00000  107.99600
   67    63    64    80.00000  120.40000
   67    74    75    80.00000  120.40000
   67    74    76    70.00000  116.00000
   69    67    68    33.00000  107.80000
   74    67    68    35.00000  109.50000
   74    67    69    35.00000  109.50000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    75.00000  107.99600
   76    74    75    80.00000  120.40000
   76    79    80    80.00000  120.40000
   76    79    81    70.00000  116.00000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    81    82    35.00000  109.50000
   79    81    83    35.00000  109.50000
   79    81    84    70.00000  107.85200
   81    79    80    80.00000  120.40000
   81    84    85    70.00000  117.00000
   81    84    86    70.00000  117.00000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   86    84    85    80.00000  126.00000
   40    33    34    50.00000  109.50000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    50    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    55    75.00000  107.99600
   50    45    46    80.00000  120.40000
   50    55    56    80.00000  120.40000
   50    55    60    70.00000  116.00000
   52    50    51    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    52    35.00000  109.50000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    65    75.00000  107.99600
   60    55    56    80.00000  120.40000
   60    65    66    80.00000  120.40000
   60    65    70    70.00000  116.00000
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   70    65    66    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    50   0.60050  1.0 1.0
   33    40    45    50   0.05600 -1.0 2.0
   33    40    45    50   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.39000  1.0 1.0
   34    33    38    43  -0.05800 -1.0 2.0
   34    33    38    43  -0.55150  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.23400  1.0 3.0
   34    33    40    45  -0.09450  1.0 1.0
   34    33    40    45  -1.12950 -1.0 2.0
   34    33    40    45   0.54000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43    47    53  -0.51250  1.0 1.0
   38    43    47    53  -0.88800 -1.0 2.0
   38    43    47    53   0.08850  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   43    47    53    54   0.30150 -1.0 2.0
   43    47    53    57   0.65300  1.0 1.0
   43    47    53    57  -0.03850 -1.0 2.0
   43    47    53    57   0.33900  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    53   0.09700  1.0 1.0
   44    43    47    53   0.15600 -1.0 2.0
   44    43    47    53  -0.50800  1.0 3.0
   47    53    57    58   0.00000  1.0 1.0
   47    53    57    59   0.00000  1.0 1.0
   47    53    57    63   0.65300  1.0 1.0
   47    53    57    63  -0.03850 -1.0 2.0
   47    53    57    63   0.33900  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    57   0.00000  1.0 1.0
   49    47    53    54   0.00000  1.0 1.0
   49    47    53    57   0.00000  1.0 1.0
   53    57    63    64   0.30150 -1.0 2.0
   53    57    63    67   0.65300  1.0 1.0
   53    57    63    67  -0.03850 -1.0 2.0
   53    57    63    67   0.33900  1.0 3.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   54    53    57    63   0.30150 -1.0 2.0
   57    63    67    68   0.00000  1.0 1.0
   57    63    67    69   0.00000  1.0 1.0
   57    63    67    74   0.65300  1.0 1.0
   57    63    67    74  -0.03850 -1.0 2.0
   57    63    67    74   0.33900  1.0 3.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    67   0.00000  1.0 1.0
   59    57    63    64   0.00000  1.0 1.0
   59    57    63    67   0.00000  1.0 1.0
   63    67    74    75   0.30150 -1.0 2.0
   63    67    74    76   0.65300  1.0 1.0
   63    67    74    76  -0.03850 -1.0 2.0
   63    67    74    76   0.33900  1.0 3.0
   64    63    67    68   0.00000  1.0 1.0
   64    63    67    69   0.00000  1.0 1.0
   64    63    67    74   0.30150 -1.0 2.0
   67    74    76    77   0.00000  1.0 1.0
   67    74    76    78   0.00000  1.0 1.0
   67    74    76    79   0.65300  1.0 1.0
   67    74    76    79  -0.03850 -1.0 2.0
   67    74    76    79   0.33900  1.0 3.0
   68    67    74    75   0.00000  1.0 1.0
   68    67    74    76   0.00000  1.0 1.0
   69    67    74    75   0.00000  1.0 1.0
   69    67    74    76   0.00000  1.0 1.0
   74    76    79    80   0.30150 -1.0 2.0
   74    76    79    81   0.65300  1.0 1.0
   74    76    79    81  -0.03850 -1.0 2.0
   74    76    79    81   0.33900  1.0 3.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.30150 -1.0 2.0
   76    79    81    82   0.00000  1.0 1.0
   76    79    81    83   0.00000  1.0 1.0
   76    79    81    84   0.65300  1.0 1.0
   76    79    81    84  -0.03850 -1.0 2.0
   76    79    81    84   0.33900  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    81   0.00000  1.0 1.0
   79    81    84    85   0.30150 -1.0 2.0
   79    81    84    86   0.30150 -1.0 2.0
   80    79    81    82   0.00000  1.0 1.0
   80    79    81    83   0.00000  1.0 1.0
   80    79    81    84   0.30150 -1.0 2.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    86   0.00000  1.0 1.0
   83    81    84    85   0.00000  1.0 1.0
   83    81    84    86   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    50    51   0.00000  1.0 1.0
   40    45    50    52   0.00000  1.0 1.0
   40    45    50    55   0.65300  1.0 1.0
   40    45    50    55  -0.03850 -1.0 2.0
   40    45    50    55   0.33900  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    50   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    50   0.00000  1.0 1.0
   45    50    55    56   0.30150 -1.0 2.0
   45    50    55    60   0.65300  1.0 1.0
   45    50    55    60  -0.03850 -1.0 2.0
   45    50    55    60   0.33900  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   46    45    50    55   0.30150 -1.0 2.0
   50    55    60    61   0.00000  1.0 1.0
   50    55    60    62   0.00000  1.0 1.0
   50    55    60    65   0.65300  1.0 1.0
   50    55    60    65  -0.03850 -1.0 2.0
   50    55    60    65   0.33900  1.0 3.0
   51    50    55    56   0.00000  1.0 1.0
   51    50    55    60   0.00000  1.0 1.0
   52    50    55    56   0.00000  1.0 1.0
   52    50    55    60   0.00000  1.0 1.0
   55    60    65    66   0.30150 -1.0 2.0
   55    60    65    70   0.65300  1.0 1.0
   55    60    65    70  -0.03850 -1.0 2.0
   55    60    65    70   0.33900  1.0 3.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    65   0.30150 -1.0 2.0
   60    65    70    71   0.00000  1.0 1.0
   60    65    70    72   0.00000  1.0 1.0
   60    65    70    73   0.00000  1.0 1.0
   61    60    65    66   0.00000  1.0 1.0
   61    60    65    70   0.00000  1.0 1.0
   62    60    65    66   0.00000  1.0 1.0
   62    60    65    70   0.00000  1.0 1.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    72   0.00000  1.0 1.0
   66    65    70    73   0.00000  1.0 1.0
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    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   47    57    53    54  10.50000 -1.0 2.0
   57    67    63    64  10.50000 -1.0 2.0
   67    76    74    75  10.50000 -1.0 2.0
   76    81    79    80  10.50000 -1.0 2.0
   85    81    84    86  10.50000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
   50    60    55    56  10.50000 -1.0 2.0
   60    70    65    66  10.50000 -1.0 2.0
END
