* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    146    206     418
    1     0 S   NP   _N1_     1    28.68626    96.65061   -23.60200
    2     1 S   H    _HN1     2     1.02828    41.27202   173.10670
    3     1 S   H    _H1_     3     1.02785   105.00323   -86.71391
    4     1 S   H    _H2_     4     1.02950    69.15952    17.58239
    5     1 S   CT   _CA1     5     1.50107   140.10252   114.83920
    6     5 S   HC   _HA1     6     1.09573   105.20449    96.10479
    7     5 S   CO3  _C1_     7     1.53792   112.46160   -24.14836
    8     7 S   O2Z  _O11     8     1.26371   115.00965   -42.73407
    9     7 S   O2Z  _O12     9     1.26240   114.94676   136.43277
   10     5 S   CT   _CB1    10     1.53082   107.42407  -145.90504
   11    10 S   HC   HB11    11     1.09832   109.38917   -49.75772
   12    10 S   HC   HB12    12     1.09813   110.44069    66.85485
   13    10 S   CT   _CG1    13     1.52985   112.59397  -170.73881
   14    13 S   HC   HG11    14     1.09583   110.61822   -65.24578
   15    13 S   HC   HG12    15     1.09669   109.80040    53.98267
   16    13 S   C    _CD1    16     1.51795   112.25029   174.44586
   17    16 S   O    _OE1    17     1.22728   123.29898     6.19068
   18    16 S   N    _N2_    18     1.38654   111.65343  -173.92801
   19    18 S   H    _HN2    19     1.01580   118.92330     1.85499
   20    18 S   CT1  _CA2    20     1.46180   123.38185   177.63603
   21    20 S   HC   _HA2    21     1.09734   109.39485     1.86067
   22    20 S   C    _C2_    22     1.53532   108.51149  -113.65118
   23    22 S   O    _O2_    23     1.23054   122.30280  -147.11807
   24    20 S   CT   _CB2    32     1.53310   111.62591   123.91576
   25    24 S   HC   HB21    33     1.09590   110.09980    56.37576
   26    24 S   HC   HB22    34     1.09463   109.89006   175.43271
   27    22 S   N    _N3_    24     1.38335   113.65828    40.25448
   28    27 S   H    _HN3    25     1.01591   119.58834    -3.27076
   29    24 S   S    _SG2    35     1.82850   111.58840   -64.59530
   30    27 S   CT   _CA3    26     1.45287   123.20381   177.16379
   31    30 S   HC   HA31    27     1.09549   107.50503   -64.68330
   32    30 S   HC   HA32    28     1.09557   107.98982    51.75456
   33    29 S   CT   _C11    36     1.83849    99.69372   173.51659
   34    33 S   HC   _H3_    37     1.09701   106.20876   -51.09837
   35    30 S   CO3  _C3_    29     1.52959   114.08155   173.75314
   36    35 S   O2Z  _O31    30     1.26374   116.06670    -0.75303
   37    35 S   O2Z  _O32    31     1.26427   114.41402   179.30903
   38    33 S   CA   _C12    38     1.52047   111.93219    68.20514
   39    33 S   CT   _C10    58     1.53923   108.51816  -166.32131
   40    39 S   HC   _H17    59     1.09724   111.24460    60.66154
   41    39 S   HC   _H18    60     1.09755   111.43345   -58.35487
   42    38 S   CA   _C13    39     1.40736   119.17366  -113.62611
   43    42 S   HA   _H19    40     1.08649   118.26656     1.28831
   44    39 S   CO4  _C9_    61     1.51173   112.40425  -178.72866
   45    44 S   O    _O34    62     1.22438   123.56247   122.39626
   46    42 S   CA   _C14    41     1.39676   120.98841  -177.92227
   47    44 S   OS   _O33    63     1.36336   110.63225   -57.35970
   48    46 S   CA   _C15    42     1.39887   118.60849    -0.24866
   49    46 S   OS   _O37    53     1.37016   125.18443   179.03288
   50    47 S   CT   _C8_    64     1.44325   116.52637   175.35405
   51    50 S   HC   _H15    65     1.09381   106.21163   157.24128
   52    50 S   HC   _H16    66     1.09432   109.78878    41.25316
   53    48 S   CA   _C16    43     1.40086   121.66522    -0.42104
   54    48 S   OH   _O36    51     1.37358   118.58970   179.60683
   55    54 S   HO   _H24    52     0.97380   107.38393   179.19254
   56    49 S   CT   _C19    54     1.42224   117.20452     5.58328
   57    56 S   HC   _H25    55     1.09426   107.74260   176.81845
   58    56 S   HC   _H26    56     1.09509   111.26194    58.99369
   59    56 S   HC   _H27    57     1.09472   111.04476   -65.54869
   60    50 S   CT   _C7_    67     1.52722   108.88975   -83.09770
   61    60 S   HC   _H13    68     1.09660   110.85099    57.52755
   62    60 S   HC   _H14    69     1.09683   109.72501   -60.63770
   63    38 S   CA   _C17    44     1.40587   121.69210    67.64543
   64    63 S   HA   _H20    45     1.08595   118.56491    -1.70111
   65    53 S   OS   _O35    46     1.37087   115.54643  -179.77186
   66    60 S   NP   _N4_    70     1.53367   114.42401   178.74555
   67    65 S   CT   _C18    47     1.42282   116.99345   179.89532
   68    67 S   HC   _H21    48     1.09426   107.73585  -179.81655
   69    67 S   HC   _H22    49     1.09500   111.12049    62.45715
   70    67 S   HC   _H23    50     1.09500   111.13815   -62.07688
   71    66 S   CT   _C4_    71     1.52442   111.29957   -63.24581
   72    71 S   HC   _H4_    72     1.09380   108.47239   -52.89198
   73    71 S   HC   _H5_    73     1.09266   108.99344    67.85732
   74    71 S   HC   _H6_    74     1.09433   108.37675  -172.85644
   75    66 S   CT   _C5_    75     1.52319   111.59735    59.70749
   76    75 S   HC   _H7_    76     1.09379   108.44082    53.18893
   77    75 S   HC   _H8_    77     1.09430   108.40626   173.16956
   78    75 S   HC   _H9_    78     1.09296   108.93100   -67.51058
   79    66 S   CT   _C6_    79     1.53314   107.60757   178.38650
   80    79 S   HC   _H10    80     1.09415   108.40046   -60.34555
   81    79 S   HC   _H11    81     1.09417   108.41132    59.74048
   82    79 S   HC   _H12    82     1.09411   108.54165   179.72024
  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
  14   7   2   1   1  13   8   4   3   9   4   6   2  11   7   9
   6   9   5   4   9   3   1   3   2   1   1  15   5   4   3   1
   4  12   3   2   1   1  11   4   3   2   7   3   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    63    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    53    63    64    39    40    41    44    45    47  
   38    42    63    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    48    53    63    64    65    49    39    40    41    44  
   40    41    44    45    47    50    42    63  
   41    44    45    47  
   44    45    47  
   43    46    48    53    63    64    54    49    56  
   46    48    63    49  
   45    47    50    51    52    60  
   47    50  
   48    53    63    65    54    55    49    56    57    58    59  
   50    51    52    60    61    62    66  
   53    63    64    65    67    54    55    49    56  
   56    57    58    59    53    54  
   51    52    60    61    62    66    71    75    79  
   52    60    61    62    66  
   60    61    62    66  
   63    64    65    67    68    69    70    54    55  
   55    63    65  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    62    66    71    72    73    74    75    76    77    78    79    80    81    82  
   62    66    71    75    79  
   66    71    75    79  
   64    65    67  
   65  
   67    68    69    70  
   71    72    73    74    75    76    77    78    79    80    81    82  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80    81    82  
   73    74    75    79  
   74    75    79  
   75    79  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.414400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.221900   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.2500   0.1700   0.510000   2.0080   1.7800   0.003973653   1.685851020
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.057500   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   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    63   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    48   469.000  1.400
   46    49   450.000  1.364
   48    53   469.000  1.400
   48    54   450.000  1.364
   53    63   469.000  1.400
   53    65   450.000  1.364
   63    64   367.000  1.080
   65    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   553.000  0.945
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    47   214.000  1.327
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   367.000  1.471
   66    71   367.000  1.471
   66    75   367.000  1.471
   66    79   367.000  1.471
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    63    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    63    53    63.00000  120.00000
   38    63    64    35.00000  120.00000
   42    46    48    63.00000  120.00000
   42    46    49    70.00000  120.00000
   46    42    43    35.00000  120.00000
   46    48    53    63.00000  120.00000
   46    48    54    70.00000  120.00000
   46    49    56    75.00000  111.00000
   48    53    63    63.00000  120.00000
   48    53    65    70.00000  120.00000
   48    54    55    35.00000  113.00000
   53    63    64    35.00000  120.00000
   53    65    67    75.00000  111.00000
   63    38    42    63.00000  120.00000
   65    53    63    70.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    48    53    70.00000  120.00000
   49    46    48    70.00000  120.00000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    47    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    47    50    83.00000  116.90000
   47    44    45    83.00000  123.40000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    60    50.00000  109.50000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    66    80.00000  111.20000
   52    50    51    33.00000  107.80000
   60    50    51    37.50000  110.70000
   60    50    52    37.50000  110.70000
   60    66    71    75.00000  113.01200
   60    66    75    75.00000  113.01200
   60    66    79    75.00000  113.01200
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   66    75    76    35.00000  109.50000
   66    75    77    35.00000  109.50000
   66    75    78    35.00000  109.50000
   66    79    80    35.00000  109.50000
   66    79    81    35.00000  109.50000
   66    79    82    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    66    71    75.00000  113.01200
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    66    71    75.00000  113.01200
   79    66    75    75.00000  113.01200
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    63  -0.16000  1.0 1.0
   29    33    38    63  -0.03200 -1.0 2.0
   29    33    38    63   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    63    53   3.62500 -1.0 2.0
   33    38    63    64   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    47   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    63   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    48   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    63    53   3.62500 -1.0 2.0
   42    38    63    64   3.62500 -1.0 2.0
   42    46   -48    53   3.62500 -1.0 2.0
   42    46    48    54   3.62500 -1.0 2.0
   42    46    49    56   1.63200 -1.0 2.0
   43    42    46    48   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    48    53    63   3.62500 -1.0 2.0
   46    48    53    65   3.62500 -1.0 2.0
   46    48    54    55   0.84100 -1.0 2.0
   46    49    56    57   0.08050  1.0 3.0
   46    49    56    58   0.08050  1.0 3.0
   46    49    56    59   0.08050  1.0 3.0
   48    46    49    56   1.63200 -1.0 2.0
   48    53   -63    38   3.62500 -1.0 2.0
   48    53    63    64   3.62500 -1.0 2.0
   48    53    65    67   1.63200 -1.0 2.0
   53    48    54    55   0.84100 -1.0 2.0
   53    65    67    68   0.08050  1.0 3.0
   53    65    67    69   0.08050  1.0 3.0
   53    65    67    70   0.08050  1.0 3.0
   63    38    42    43   3.62500 -1.0 2.0
   63    38   -42    46   3.62500 -1.0 2.0
   63    53    65    67   1.63200 -1.0 2.0
   65    53    63    38   3.62500 -1.0 2.0
   65    53    63    64   3.62500 -1.0 2.0
   54    48    53    63   3.62500 -1.0 2.0
   54    48    53    65   3.62500 -1.0 2.0
   49    46    48    53   3.62500 -1.0 2.0
   49    46    48    54   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    63   0.04150 -1.0 2.0
   39    44    47    50   1.63150  1.0 1.0
   39    44    47    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    47   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    47   0.00000  1.0 1.0
   44    47    50    51   0.08050  1.0 3.0
   44    47    50    52   0.08050  1.0 3.0
   44    47    50    60  -0.25900  1.0 1.0
   44    47    50    60  -0.47000 -1.0 2.0
   44    47    50    60   0.11750  1.0 3.0
   45    44    47    50   3.00000 -1.0 2.0
   47    50    60    61   0.23400  1.0 3.0
   47    50    60    62   0.23400  1.0 3.0
   47    50    60    66   1.69300  1.0 1.0
   47    50    60    66  -0.48450 -1.0 2.0
   50    60    66    71   0.47100  1.0 1.0
   50    60    66    75   0.47100  1.0 1.0
   50    60    66    79   0.47100  1.0 1.0
   51    50    60    61   0.15000  1.0 3.0
   51    50    60    62   0.15000  1.0 3.0
   51    50    60    66   0.19200  1.0 3.0
   52    50    60    61   0.15000  1.0 3.0
   52    50    60    62   0.15000  1.0 3.0
   52    50    60    66   0.19200  1.0 3.0
   60    66    71    72   0.15000  1.0 3.0
   60    66    71    73   0.15000  1.0 3.0
   60    66    71    74   0.15000  1.0 3.0
   60    66    75    76   0.15000  1.0 3.0
   60    66    75    77   0.15000  1.0 3.0
   60    66    75    78   0.15000  1.0 3.0
   60    66    79    80   0.15000  1.0 3.0
   60    66    79    81   0.15000  1.0 3.0
   60    66    79    82   0.15000  1.0 3.0
   61    60    66    71   0.15000  1.0 3.0
   61    60    66    75   0.15000  1.0 3.0
   61    60    66    79   0.15000  1.0 3.0
   62    60    66    71   0.15000  1.0 3.0
   62    60    66    75   0.15000  1.0 3.0
   62    60    66    79   0.15000  1.0 3.0
   71    66    75    76   0.15000  1.0 3.0
   71    66    75    77   0.15000  1.0 3.0
   71    66    75    78   0.15000  1.0 3.0
   71    66    79    80   0.15000  1.0 3.0
   71    66    79    81   0.15000  1.0 3.0
   71    66    79    82   0.15000  1.0 3.0
   75    66    71    72   0.15000  1.0 3.0
   75    66    71    73   0.15000  1.0 3.0
   75    66    71    74   0.15000  1.0 3.0
   75    66    79    80   0.15000  1.0 3.0
   75    66    79    81   0.15000  1.0 3.0
   75    66    79    82   0.15000  1.0 3.0
   79    66    71    72   0.15000  1.0 3.0
   79    66    71    73   0.15000  1.0 3.0
   79    66    71    74   0.15000  1.0 3.0
   79    66    75    76   0.15000  1.0 3.0
   79    66    75    77   0.15000  1.0 3.0
   79    66    75    78   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    63    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   48    49    46    42   4.00000 -1.0 2.0
   53    54    48    46   4.00000 -1.0 2.0
   63    65    53    48   4.00000 -1.0 2.0
   53    64    63    38   1.10000 -1.0 2.0
   39    47    44    45  10.50000 -1.0 2.0
END
