* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    163    260     480
    1     0 S   NP   _N1_     1    28.79245    93.46535   -21.94495
    2     1 S   H    _HN1     2     1.02776    96.09348   -78.53529
    3     1 S   H    _H1_     3     1.02968    95.76847    30.64830
    4     1 S   H    _H2_     4     1.02834    20.70953   155.13377
    5     1 S   CT   _CA1     5     1.50133   131.46846   154.41882
    6     5 S   HC   _HA1     6     1.09576   105.23771    59.42799
    7     5 S   CO3  _C1_     7     1.53787   112.33145   -60.73941
    8     7 S   O2Z  _O11     8     1.26350   115.00223   -44.36878
    9     7 S   O2Z  _O12     9     1.26241   114.90641   134.73361
   10     5 S   CT   _CB1    10     1.53075   107.39144   177.27487
   11    10 S   HC   HB11    11     1.09818   109.28381   -51.10149
   12    10 S   HC   HB12    12     1.09830   110.41444    65.41875
   13    10 S   CT   _CG1    13     1.53008   112.72796  -172.30203
   14    13 S   HC   HG11    14     1.09592   110.26777   -62.71480
   15    13 S   HC   HG12    15     1.09630   110.18345    56.49366
   16    13 S   C    _CD1    16     1.51816   112.16908   176.64258
   17    16 S   O    _OE1    17     1.22737   123.17368   -11.04430
   18    16 S   N    _N2_    18     1.38606   111.71550   169.60528
   19    18 S   H    _HN2    19     1.01582   119.04623     1.14842
   20    18 S   CT1  _CA2    20     1.46279   123.38962  -177.48697
   21    20 S   HC   _HA2    21     1.09733   109.34821   -13.83895
   22    20 S   C    _C2_    22     1.53393   108.43145  -129.61569
   23    22 S   O    _O2_    23     1.23014   122.26346  -146.44594
   24    20 S   CT   _CB2    32     1.53436   111.26042   108.16274
   25    24 S   HC   HB21    33     1.09599   109.66095    55.37913
   26    24 S   HC   HB22    34     1.09486   110.65256   174.32556
   27    22 S   N    _N3_    24     1.38518   113.35208    40.96781
   28    27 S   H    _HN3    25     1.01532   118.87508    -0.69858
   29    24 S   S    _SG2    35     1.82534   111.59139   -65.65178
   30    27 S   CT   _CA3    26     1.45452   123.50482   175.15669
   31    30 S   HC   HA31    27     1.09519   109.29975    23.10078
   32    30 S   HC   HA32    28     1.09497   107.10417   140.10750
   33    29 S   CT   _C10    36     1.83223    99.11332   163.48303
   34    33 S   HC   _H6_    37     1.09577   106.74193   -52.59015
   35    30 S   CO3  _C3_    29     1.52919   113.08057  -100.42647
   36    35 S   O2Z  _O31    30     1.26405   115.38882   -44.88866
   37    35 S   O2Z  _O32    31     1.26353   114.99453   136.04849
   38    33 S   CM   _C6_    38     1.52666   111.31720  -170.10533
   39    38 S   CT   _C7_    39     1.53854   114.79350  -108.24243
   40    39 S   HC   _H3_    40     1.09722   108.86722   150.16690
   41    38 S   CMA  _C5_    81     1.36874   122.83021    72.72891
   42    41 S   OM   _O36    82     1.26864   125.39637  -179.87967
   43    39 S   CT   _C8_    41     1.55223   107.95643    34.90921
   44    43 S   HC   _H4_    42     1.10081   106.96069    58.65554
   45    39 S   CT   _C13    53     1.55782   110.01363   -90.54594
   46    45 S   HC   _H15    54     1.09621   108.96028    91.35960
   47    45 S   HC   _H16    55     1.09889   110.06361   -23.57838
   48    41 S   OS   _O33    83     1.42031   111.58269     1.98515
   49    43 S   CO   _C9_    43     1.54503   111.39248   -58.71137
   50    49 S   HC   _H5_    44     1.09659   110.15766   -92.42478
   51    43 S   CM   _C11    48     1.51279   113.43068   176.10570
   52    51 S   HC   _H12    49     1.08702   117.92791    72.46458
   53    45 S   CT   _C14    56     1.54342   113.57283  -145.73262
   54    53 S   HC   _H7_    57     1.09313   111.89175   -35.42553
   55    48 S   CT   _C4_    84     1.42786   114.29793  -141.29534
   56    55 S   HC   _H8_    85     1.09395   107.69357   171.37267
   57    55 S   HC   _H9_    86     1.09534   111.11817    53.24648
   58    55 S   HC   _H10    87     1.09466   111.03230   -70.67828
   59    33 S   OS   _O34    45     1.43174   113.91232    62.35847
   60    49 S   OH   _O35    46     1.42574   109.30599   150.93681
   61    60 S   HO   _H11    47     0.97184   106.88224   156.18111
   62    51 S   CM   _C12    50     1.33839   123.93887  -108.42381
   63    62 S   HC   _H13    51     1.08471   120.55494  -179.50150
   64    62 S   HC   _H14    52     1.08475   121.59962     0.46478
   65    53 S   C5A  _C15    58     1.49297   113.35178    89.74429
   66    65 S   C5B  _C16    59     1.38125   125.85816   107.93367
   67    65 S   NA   _N4_    70     1.36571   125.93810   -72.19989
   68    67 S   H    _H21    71     1.01137   125.69609     2.66697
   69    66 S   C56B _C17    60     1.42227   107.61508   179.88809
   70    66 S   CT   _C23    72     1.49061   122.14699     0.90569
   71    70 S   HC   _H22    73     1.09696   108.65846   102.32174
   72    70 S   HC   _H23    74     1.09553   110.58103  -140.04511
   73    69 S   CA   _C18    61     1.40943   134.44723  -179.82086
   74    73 S   HA   _H17    62     1.08613   120.77136     0.12820
   75    70 S   CT   _C24    75     1.53473   111.27784   -18.25877
   76    75 S   HC   _H24    76     1.09404   111.28835   164.82983
   77    75 S   HC   _H25    77     1.09501   112.21126   -72.54697
   78    73 S   CA   _C19    63     1.39959   119.28591  -179.68225
   79    78 S   HA   _H18    64     1.08685   119.53674   179.86294
   80    53 S   NP   _N5_    78     1.52993   108.16503  -149.95970
   81    80 S   H    _H26    79     1.02937   108.10115   158.52859
   82    80 S   H    _H27    80     1.02854   110.05789    43.93740
   83    78 S   CA   _C20    65     1.39319   120.75894     0.00000
   84    83 S   HA   _H19    66     1.08711   119.58579   179.80218
   85    83 S   CA   _C21    67     1.39763   121.02807    -0.14671
   86    85 S   HA   _H20    68     1.08504   120.97597   179.85463
   87    69 S   C56A _C22    69     1.39798   106.86441     0.19180
  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
  13   5   2   1   1  15  20   9   9   2  15   8  13   5   4   4
   7   4   6   3  14   7   3   2   1   1   2   1   1   2   1   1
  14  15   9   3  12  10   5   4   7   4   5   4   3   6   3   2
   1   1   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    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    59    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    49    50    59    60    45    41    42    48  
   38    39    49    59    41  
   36    37  
   37  
    0  
   39    40    43    44    49    59    51    45    46    47    53    41    42    48    55  
   40    43    44    49    50    59    60    51    52    62    45    46    47    53    54    65    80    41    42    48  
   43    44    49    51    45    46    47    53    41  
   42    48    55    56    57    58    43    45    59  
   48    55  
   44    49    50    59    60    61    51    52    62    63    64    45    46    47    53  
   49    50    59    60    51    52    62    45  
   46    47    53    54    65    66    67    75    80    81    82    49    51  
   47    53    54    65    80  
   53    54    65    80  
   55    56    57    58  
   50    59    60    61    51    52    62  
   59    60    61    51  
   52    62    63    64    59    60  
   62    63    64  
   54    65    66    69    87    67    68    70    75    76    77    80    81    82  
   65    66    67    75    80    81    82  
   56    57    58  
   57    58  
   58  
    0  
   60    61  
   61  
    0  
   63    64  
   64  
    0  
   66    69    73    85    87    67    68    70    71    72    75    80    81    82  
   69    73    74    78    85    87    67    68    70    71    72    75    76    77    80  
   68    70    80    69    73    83    85    86    87  
   69    85    87  
   73    74    78    79    83    85    86    87    70    71    72    75  
   71    72    75    76    77    80    81    82    73    87  
   72    75    76    77    80  
   75    76    77    80  
   74    78    79    83    84    85    87  
   78    79    83    87  
   76    77    80    81    82  
   77    80    81    82  
   80    81    82  
   79    83    84    85    86    87  
   83    84    85  
   81    82  
   82  
    0  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.345000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   80   3.2500   0.1700  -0.200000   2.2900   2.0360   0.003973653   1.685851020
   81   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    59   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    45   268.000  1.529
   43    44   340.000  1.090
   43    49   250.000  1.527
   43    51   317.000  1.510
   49    50   340.000  1.090
   49    59   320.000  1.380
   49    60   380.000  1.407
   60    61   553.000  0.945
   51    52   340.000  1.080
   51    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    53   268.000  1.529
   53    54   340.000  1.090
   53    65   295.000  1.489
   53    80   367.000  1.471
   65    66   520.000  1.370
   65    67   427.000  1.381
   66    69   380.000  1.440
   66    70   295.000  1.494
   69    73   469.000  1.404
   69    87   447.000  1.419
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    67   428.000  1.380
   67    68   434.000  1.010
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   367.000  1.471
   80    81   434.000  1.010
   80    82   434.000  1.010
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    59    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    59    49    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    45    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    49    75.00000  109.43000
   39    43    51    70.00000  112.02700
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    53    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    49    50    45.00000  112.01100
   43    49    59    90.00000  108.56700
   43    49    60    90.00000  110.19100
   43    51    52    35.00000  117.00000
   43    51    62    70.00000  124.00000
   49    43    44    45.00000  108.72000
   49    60    61    70.00000  107.92000
   59    33    34    35.00000  109.50000
   59    33    38    85.00000  110.90400
   59    49    50    35.00000  109.50000
   60    49    50    60.00000  108.02500
   60    49    59   110.00000  112.08000
   51    43    44    35.00000  109.50000
   51    43    49    70.00000  112.02700
   51    62    63    35.00000  120.00000
   51    62    64    35.00000  120.00000
   62    51    52    35.00000  120.00000
   64    62    63    35.00000  117.00000
   45    39    40    37.50000  110.70000
   45    39    43    58.35000  112.70000
   45    53    54    37.50000  110.70000
   45    53    65    70.00000  113.44400
   45    53    80    80.00000  111.20000
   47    45    46    33.00000  107.80000
   53    45    46    37.50000  110.70000
   53    45    47    37.50000  110.70000
   53    65    66    55.00000  130.44200
   53    65    67    65.00000  122.56900
   53    80    75    75.00000  113.01200
   53    80    81    35.00000  109.50000
   53    80    82    35.00000  109.50000
   65    53    54    45.00000  110.47400
   65    66    69    80.00000  105.82900
   65    66    70    55.00000  127.77900
   65    67    87    90.00000  107.14200
   65    67    68    35.00000  120.00000
   66    69    73    50.00000  134.85500
   66    69    87    80.00000  107.43600
   66    70    71    45.00000  111.11700
   66    70    72    45.00000  111.11700
   66    70    75    70.00000  112.62400
   69    73    74    35.00000  120.00000
   69    73    78    63.00000  120.00000
   69    87    85    85.00000  122.70000
   69    87    67    70.00000  104.40000
   73    78    79    35.00000  120.00000
   73    78    83    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    83    84    35.00000  120.00000
   78    83    85    63.00000  120.00000
   83    78    79    35.00000  120.00000
   83    85    86    35.00000  120.00000
   83    85    87    85.00000  120.00000
   85    83    84    35.00000  120.00000
   85    87    67    70.00000  132.80000
   87    69    73    85.00000  116.20000
   87    85    86    35.00000  120.00000
   87    67    68    35.00000  123.10000
   67    65    66    70.00000  106.30000
   70    66    69    55.00000  128.73000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    80    80.00000  111.20000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   80    53    54    35.00000  109.50000
   80    53    65    75.00000  111.64000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   82    80    81    35.00000  109.50000
   41    38    39    70.00000  124.00000
   41    48    55    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    55    56    35.00000  109.50000
   48    55    57    35.00000  109.50000
   48    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    59   0.13850  1.0 1.0
   24    29    33    59  -1.34450 -1.0 2.0
   24    29    33    59   0.57400  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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    59    49   0.14700  1.0 1.0
   29    33    59    49  -1.16150 -1.0 2.0
   29    33    59    49   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    59    49   0.37050  1.0 3.0
   38    33    59    49  -0.77900  1.0 1.0
   38    33    59    49  -0.36900 -1.0 2.0
   38    33    59    49   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39   -43    49   0.34400  1.0 1.0
   38    39   -43    49   0.09450 -1.0 2.0
   38    39   -43    49   0.11100  1.0 3.0
   38    39    43    51   0.31000  1.0 1.0
   38    39    43    51   0.14700 -1.0 2.0
   38    39    43    51   0.07550  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    53   0.34400  1.0 1.0
   38    39    45    53   0.09450 -1.0 2.0
   38    39    45    53   0.11100  1.0 3.0
   38    41    48    55  -2.26850  1.0 1.0
   38    41    48    55   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    59   0.62750  1.0 1.0
   39    43    49    59  -0.30950 -1.0 2.0
   39    43    49    59   0.27300  1.0 3.0
   39    43    49    60   0.86500  1.0 1.0
   39    43    49    60  -0.17500 -1.0 2.0
   39    43    49    60   0.20800  1.0 3.0
   39    43    51    52   0.00000  1.0 1.0
   39    43    51    62   0.09850  1.0 1.0
   39    43    51    62   0.15250 -1.0 2.0
   39    43    51    62  -0.50650  1.0 3.0
   39    45    53    54   0.15000  1.0 3.0
   39    45    53    65  -0.03700  1.0 1.0
   39    45    53    65   0.37200 -1.0 2.0
   39    45    53    65  -0.47300  1.0 3.0
   39    45    53    80   1.36600  1.0 1.0
   39    45    53    80  -0.11450 -1.0 2.0
   39    45    53    80   0.24250  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    53   0.15000  1.0 3.0
   43    39    45    46   0.15000  1.0 3.0
   43    39    45    47   0.15000  1.0 3.0
   43    39    45    53   0.56750  1.0 1.0
   43    39    45    53  -0.07550 -1.0 2.0
   43    39    45    53   0.20000  1.0 3.0
   43    49   -59    33   0.06250  1.0 1.0
   43    49   -59    33  -0.01100 -1.0 2.0
   43    49   -59    33   0.28050  1.0 3.0
   43    49    60    61  -0.11600  1.0 1.0
   43    49    60    61  -0.09450 -1.0 2.0
   43    49    60    61   0.21250  1.0 3.0
   43    51    62    63   7.00000 -1.0 2.0
   43    51    62    64   7.00000 -1.0 2.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    59   0.23400  1.0 3.0
   44    43    49    60   0.23400  1.0 3.0
   44    43    51    52   0.33100  1.0 3.0
   44    43    51    62   0.00000  1.0 1.0
   49    43    51    52   0.00000  1.0 1.0
   49    43    51    62   0.09850  1.0 1.0
   49    43    51    62   0.15250 -1.0 2.0
   49    43    51    62  -0.50650  1.0 3.0
   50    49    59    33   0.37050  1.0 3.0
   50    49    60    61   0.19450  1.0 3.0
   59    33   -38    39   0.09700  1.0 1.0
   59    33   -38    39   0.15600 -1.0 2.0
   59    33   -38    39  -0.50800  1.0 3.0
   59    33    38    41   0.39000  1.0 1.0
   59    33    38    41  -0.05800 -1.0 2.0
   59    33    38    41  -0.55150  1.0 3.0
   59    49    60    61  -0.50000  1.0 1.0
   59    49    60    61  -0.73950 -1.0 2.0
   59    49    60    61   0.17150  1.0 3.0
   60    49    59    33  -0.81800  1.0 1.0
   51    43    49    50   0.15000  1.0 3.0
   51    43    49    59   0.61850  1.0 1.0
   51    43    49    59  -0.22750 -1.0 2.0
   51    43    49    59   0.15300  1.0 3.0
   51    43    49    60   1.05650  1.0 1.0
   51    43    49    60   0.15600 -1.0 2.0
   51    43    49    60   0.53150  1.0 3.0
   52    51    62    63   7.00000 -1.0 2.0
   52    51    62    64   7.00000 -1.0 2.0
   45    39    43    44   0.15000  1.0 3.0
   45    39    43    49   3.97050  1.0 1.0
   45    39    43    51   0.34400  1.0 1.0
   45    39    43    51   0.09450 -1.0 2.0
   45    39    43    51   0.11100  1.0 3.0
   45    53    65    66   0.04150 -1.0 2.0
   45    53    65    67   0.39850  1.0 1.0
   45    53    65    67   0.06450 -1.0 2.0
   45    53    65    67   0.32400  1.0 3.0
   45    53    80    75   0.47100  1.0 1.0
   45    53    80    81   0.17350  1.0 3.0
   45    53    80    82   0.17350  1.0 3.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    65   0.43200  1.0 3.0
   46    45    53    80   0.19200  1.0 3.0
   47    45    53    54   0.15000  1.0 3.0
   47    45    53    65   0.43200  1.0 3.0
   47    45    53    80   0.19200  1.0 3.0
   53    65    66    69   3.62500 -1.0 2.0
   53    65    66    70   3.62500 -1.0 2.0
   53    65    67    87   3.62500 -1.0 2.0
   53    65    67    68   2.00000 -1.0 2.0
   54    53    65    66   0.00000  1.0 1.0
   54    53    65    67   0.00000  1.0 1.0
   54    53    80    75   0.15000  1.0 3.0
   54    53    80    81   0.13050  1.0 3.0
   54    53    80    82   0.13050  1.0 3.0
   65    53    80    75   0.03550  1.0 1.0
   65    53    80    75   0.09800 -1.0 2.0
   65    53    80    81   0.17350  1.0 3.0
   65    53    80    82   0.17350  1.0 3.0
   65    66    69    73   3.62500 -1.0 2.0
   65    66   -69    87   3.50000 -1.0 2.0
   65    66    70    71   0.00000  1.0 1.0
   65    66    70    72   0.00000  1.0 1.0
   65    66   -70    75   0.04150 -1.0 2.0
   66    65   -67    87   3.62500 -1.0 2.0
   66    65    67    68   1.40000 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   66    69    73    78   3.62500 -1.0 2.0
   66    69    87    85   3.00000 -1.0 2.0
   66    69   -87    67   3.00000 -1.0 2.0
   66    70    75    76   0.43200  1.0 3.0
   66    70    75    77   0.43200  1.0 3.0
   66    70    75    80   1.24050  1.0 1.0
   66    70    75    80   0.48100 -1.0 2.0
   66    70    75    80   1.08150  1.0 3.0
   69    66    70    71   0.00000  1.0 1.0
   69    66    70    72   0.00000  1.0 1.0
   69    66    70    75   0.04150 -1.0 2.0
   69    73    78    79   3.62500 -1.0 2.0
   69    73    78    83   3.62500 -1.0 2.0
   69    87   -67    65   3.62500 -1.0 2.0
   69    87    67    68   1.52500 -1.0 2.0
   73    69    87    85   3.00000 -1.0 2.0
   73    69    87    67   3.00000 -1.0 2.0
   73    78    83    84   3.62500 -1.0 2.0
   73    78   -83    85   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    83   3.62500 -1.0 2.0
   78    83    85    86   3.62500 -1.0 2.0
   78    83    85    87   3.62500 -1.0 2.0
   79    78    83    84   3.62500 -1.0 2.0
   79    78    83    85   3.62500 -1.0 2.0
   83    85   -87    69   3.62500 -1.0 2.0
   83    85    87    67   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    87    67    65   3.62500 -1.0 2.0
   85    87    67    68   1.52500 -1.0 2.0
   86    85    87    69   3.62500 -1.0 2.0
   86    85    87    67   3.62500 -1.0 2.0
   87    69    73    74   3.50000 -1.0 2.0
   87    69   -73    78   3.50000 -1.0 2.0
   67    65   -66    69   3.62500 -1.0 2.0
   67    65    66    70   3.62500 -1.0 2.0
   70    66    69    73   3.62500 -1.0 2.0
   70    66    69    87   3.62500 -1.0 2.0
   70    75   -80    53   0.47100  1.0 1.0
   70    75    80    81   0.17350  1.0 3.0
   70    75    80    82   0.17350  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    80   0.19200  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    80   0.19200  1.0 3.0
   76    75    80    53   0.15000  1.0 3.0
   76    75    80    81   0.13050  1.0 3.0
   76    75    80    82   0.13050  1.0 3.0
   77    75    80    53   0.15000  1.0 3.0
   77    75    80    81   0.13050  1.0 3.0
   77    75    80    82   0.13050  1.0 3.0
   80    53   -65    66  -0.46400 -1.0 2.0
   80    53    65    67   0.04300 -1.0 2.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    45   0.09850  1.0 1.0
   41    38    39    45   0.15250 -1.0 2.0
   41    38    39    45  -0.50650  1.0 3.0
   41    48    55    56   0.08050  1.0 3.0
   41    48    55    57   0.08050  1.0 3.0
   41    48    55    58   0.08050  1.0 3.0
   42    41    48    55   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   43    52    51    62  15.00000 -1.0 2.0
   63    64    62    51  15.00000 -1.0 2.0
   66    67    65    53   4.00000 -1.0 2.0
   69    70    66    65   4.00000 -1.0 2.0
   73    87    69    66   4.00000 -1.0 2.0
   78    74    73    69   1.10000 -1.0 2.0
   83    79    78    73   1.10000 -1.0 2.0
   85    84    83    78   1.10000 -1.0 2.0
   87    86    85    83   1.10000 -1.0 2.0
   85    67    87    69   4.00000 -1.0 2.0
   68    65    67    87   1.00000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
