* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    162    235     469
    1     0 S   NP   _N1_     1    28.71334    99.29085   -23.73762
    2     1 S   H    _HN1     2     1.02953    57.22137    24.91089
    3     1 S   H    _H1_     3     1.02834    53.04970  -177.77200
    4     1 S   H    _H2_     4     1.02794   105.70030   -77.01303
    5     1 S   CT   _CA1     5     1.50119   142.06863   106.29194
    6     5 S   HC   _HA1     6     1.09578   105.21627   115.25930
    7     5 S   CO3  _C1_     7     1.53669   112.37264    -4.96673
    8     7 S   O2Z  _O11     8     1.26376   115.08949   -46.02124
    9     7 S   O2Z  _O12     9     1.26230   114.97105   133.05510
   10     5 S   CT   _CB1    10     1.53042   107.41194  -126.84907
   11    10 S   HC   HB11    11     1.09833   109.27835   -50.67455
   12    10 S   HC   HB12    12     1.09813   110.51234    65.90043
   13    10 S   CT   _CG1    13     1.53005   112.60438  -171.68041
   14    13 S   HC   HG11    14     1.09507   110.48487   -66.59175
   15    13 S   HC   HG12    15     1.09632   109.73748    52.68141
   16    13 S   C    _CD1    16     1.51796   112.11831   173.13733
   17    16 S   O    _OE1    17     1.22774   123.05387     7.43622
   18    16 S   N    _N2_    18     1.38598   111.92683  -172.43807
   19    18 S   H    _HN2    19     1.01855   118.90822     1.41444
   20    18 S   CT1  _CA2    20     1.46081   123.31547   177.45886
   21    20 S   HC   _HA2    21     1.09739   109.24817     3.17743
   22    20 S   C    _C2_    22     1.53676   108.74026  -112.36228
   23    22 S   O    _O2_    23     1.23091   122.06599  -146.33981
   24    20 S   CT   _CB2    32     1.53437   112.21885   125.07403
   25    24 S   HC   HB21    33     1.09491   109.88258    59.34138
   26    24 S   HC   HB22    34     1.09398   109.14300   177.68480
   27    22 S   N    _N3_    24     1.38451   113.76868    41.14082
   28    27 S   H    _HN3    25     1.01458   119.00168    -1.51620
   29    24 S   S    _SG2    35     1.82905   111.89384   -61.29460
   30    27 S   CT   _CA3    26     1.45452   123.56908   175.24972
   31    30 S   HC   HA31    27     1.09516   109.40491    21.91157
   32    30 S   HC   HA32    28     1.09505   107.09706   138.87685
   33    29 S   CT   _C23    36     1.86878   101.86221  -160.80162
   34    33 S   OM   _O40    37     1.31760   107.92217  -167.12755
   35    30 S   CO3  _C3_    29     1.52914   112.91486  -101.69173
   36    35 S   O2Z  _O31    30     1.26430   115.32438   -48.82031
   37    35 S   O2Z  _O32    31     1.26355   115.09333   132.06618
   38    33 S   CT   _C22    38     1.54698   113.60796   -44.85024
   39    38 S   HC   _H20    39     1.09951   111.53514  -170.98903
   40    38 S   HC   _H21    40     1.09810   109.21067    71.85067
   41    33 S   S    _S1_    86     1.87529   106.27591    76.77028
   42    38 S   CO4  _C21    41     1.53286   117.65459   -49.54505
   43    42 S   O    _O39    42     1.22962   123.35826   -25.82625
   44    41 S   CT   _C24    87     1.81354   101.89059  -176.62693
   45    44 S   HC   _H22    88     1.09375   108.49990  -173.46475
   46    44 S   HC   _H23    89     1.09249   110.78463    68.42940
   47    44 S   HC   _H24    90     1.09254   111.52302   -54.66023
   48    42 S   CT   _C20    43     1.51469   115.51154   157.95627
   49    48 S   HC   _H18    44     1.09474   109.81784   -43.02921
   50    48 S   HC   _H19    45     1.09502   108.34865    74.46805
   51    48 S   CO4  _C19    46     1.51195   113.97426  -164.12323
   52    51 S   O    _O38    47     1.23063   120.80909  -103.02293
   53    51 S   CT   _C18    48     1.52573   116.39997    73.92724
   54    53 S   HC   _H16    49     1.09498   104.97316   -72.98183
   55    53 S   HC   _H17    50     1.09706   107.88287    42.25268
   56    53 S   CT   _C17    51     1.54886   115.42464   165.00100
   57    56 S   CM   _C12    52     1.52155   110.93957   178.98857
   58    56 S   OH   _O41    84     1.43339   108.68953    62.21346
   59    58 S   HO   _H25    85     0.97391   107.94010   -58.39980
   60    57 S   CMA  _C13    53     1.35600   127.02586   134.86080
   61    60 S   OM   _O42    54     1.26455   130.83692  -179.35593
   62    57 S   CO4  _C11    63     1.49918   117.05173   -46.27020
   63    62 S   O    _O36    64     1.22972   120.37186    95.37238
   64    60 S   CT   _C14    55     1.52156   119.32726     2.27735
   65    64 S   HC   _H12    56     1.09951   110.94592   131.44921
   66    64 S   HC   _H13    57     1.09784   110.71644  -108.14141
   67    62 S   CT   _C10    65     1.51165   116.97365   -82.89333
   68    67 S   HC   _H10    66     1.09493   108.01663  -124.13889
   69    67 S   HC   _H11    67     1.09530   109.41324    -7.33489
   70    64 S   CO4  _C15    58     1.51237   112.61262    12.20975
   71    70 S   O    _O37    59     1.23075   121.79457   142.90561
   72    67 S   CO4  _C9_    68     1.51271   114.44673   114.55469
   73    72 S   O    _O35    69     1.22999   122.19915    15.74161
   74    56 S   CT   _C16    60     1.53657   110.01659   -56.71113
   75    74 S   HC   _H14    61     1.09534   111.70311    78.17342
   76    74 S   HC   _H15    62     1.09667   111.72448   -43.26845
   77    72 S   CT   _C8_    70     1.51215   115.96079  -164.69371
   78    77 S   HC   _H8_    71     1.09418   109.49554   -53.97196
   79    77 S   HC   _H9_    72     1.09563   108.32464    63.28914
   80    77 S   CO4  _C7_    73     1.51271   114.27459  -176.16774
   81    80 S   O    _O34    74     1.23068   120.56750   -99.27775
   82    80 S   CT   _C6_    75     1.51392   116.54746    78.10603
   83    82 S   HC   _H6_    76     1.09470   107.39351   -68.79250
   84    82 S   HC   _H7_    77     1.09435   108.72678    49.16365
   85    82 S   CO4  _C5_    78     1.51204   116.07218   169.50259
   86    85 S   O    _O33    79     1.23041   122.63777   -32.85574
   87    85 S   CT   _C4_    80     1.50671   116.38712   150.39938
   88    87 S   HC   _H3_    81     1.09265   109.54234    61.52345
   89    87 S   HC   _H4_    82     1.09289   109.64458   -59.58106
   90    87 S   HC   _H5_    83     1.09355   109.72069  -178.84039
  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   8   5   4   3
  12   6   2   1   1  10   5   4   5   7   4   3   2   1   1   8
   4   3   8   4  12   5   4  14  17   7   1  10   5   9   4   7
   4   3   8   4   3   4   3   7   4   2   1   1   8   4   3   7
   4   8   4   3   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    48    41    44    45    46    47  
   38    39    40    42    41    44  
   36    37  
   37  
    0  
   39    40    42    43    48    49    50    51    41    44  
   40    42    43    48    41  
   42    43    48    41  
   44    45    46    47    42  
   43    48    49    50    51    52    53  
   48    49    50    51  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    53    54    55    56  
   50    51    52    53  
   51    52    53  
   52    53    54    55    56    57    74    58  
   53    54    55    56  
   54    55    56    57    60    70    74    75    76    62    58    59  
   55    56    57    74    58  
   56    57    74    58  
   57    60    61    64    70    71    74    75    76    62    63    67    58    59  
   60    61    64    65    66    70    74    75    76    62    63    67    68    69    72    58    59  
   59    60    62    70    74    75    76  
   74  
   61    64    65    66    70    71    74    62    63    67  
   64    65    66    70    62  
   63    67    68    69    72    73    77    64    74  
   67    68    69    72  
   65    66    70    71    74    75    76  
   66    70    71    74  
   70    71    74  
   68    69    72    73    77    78    79    80  
   69    72    73    77  
   72    73    77  
   71    74    75    76  
   74    75    76  
   73    77    78    79    80    81    82  
   77    78    79    80  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84    85  
   79    80    81    82  
   80    81    82  
   81    82    83    84    85    86    87  
   82    83    84    85  
   83    84    85    86    87    88    89    90  
   84    85    86    87  
   85    86    87  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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  -0.005000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   61   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.4250   1.2500   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   570.000  1.307
   33    38   268.000  1.529
   33    41   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.522
   51    52   570.000  1.229
   51    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   317.000  1.510
   56    74   268.000  1.529
   56    58   320.000  1.410
   57    60   465.000  1.376
   57    62   320.000  1.462
   60    61   745.000  1.250
   60    64   270.000  1.512
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   317.000  1.522
   70    71   570.000  1.229
   70    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   62    63   570.000  1.229
   62    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.522
   72    73   570.000  1.229
   72    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   317.000  1.522
   80    81   570.000  1.229
   80    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   317.000  1.522
   85    86   570.000  1.229
   85    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   58    59   553.000  0.945
   41    44   222.000  1.810
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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  111.63000
   29    33    41    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    41    44    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    51    75.00000  107.99600
   48    42    43    80.00000  120.40000
   48    51    52    80.00000  120.40000
   48    51    53    70.00000  116.00000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    63.00000  111.10000
   53    51    52    80.00000  120.40000
   53    56    57    70.00000  112.02700
   53    56    74    58.35000  112.70000
   53    56    58    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    57    60    70.00000  124.00000
   56    57    62    65.00000  116.34900
   56    74    70    63.00000  111.10000
   56    74    75    37.50000  110.70000
   56    74    76    37.50000  110.70000
   56    58    59    55.00000  108.50000
   57    60    61    65.00000  137.10300
   57    60    64    65.00000  122.18000
   57    62    63    80.00000  123.72100
   57    62    67    65.00000  118.62400
   60    64    65    45.00000  110.52000
   60    64    66    45.00000  110.52000
   60    64    70    70.00000  109.06800
   64    60    61    85.00000  112.85300
   64    70    71    80.00000  120.40000
   64    70    74    70.00000  116.00000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   74    56    57    70.00000  112.02700
   74    70    71    80.00000  120.40000
   76    74    75    33.00000  107.80000
   62    57    60    60.00000  125.92000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    72    75.00000  107.99600
   67    62    63    80.00000  120.40000
   67    72    73    80.00000  120.40000
   67    72    77    70.00000  116.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    75.00000  107.99600
   77    72    73    80.00000  120.40000
   77    80    81    80.00000  120.40000
   77    80    82    70.00000  116.00000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    85    75.00000  107.99600
   82    80    81    80.00000  120.40000
   82    85    86    80.00000  120.40000
   82    85    87    70.00000  116.00000
   84    82    83    33.00000  107.80000
   85    82    83    35.00000  109.50000
   85    82    84    35.00000  109.50000
   85    87    88    35.00000  109.50000
   85    87    89    35.00000  109.50000
   85    87    90    35.00000  109.50000
   87    85    86    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   58    56    57    90.00000  110.39200
   58    56    74    50.00000  109.50000
   41    33    34    85.00000  114.68000
   41    33    38    75.00000  111.63000
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    44   0.08500  1.0 1.0
   29    33    41    44  -0.53150 -1.0 2.0
   29    33    41    44   0.48050  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    41    44    45   0.32350  1.0 3.0
   33    41    44    46   0.32350  1.0 3.0
   33    41    44    47   0.32350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    41    44   0.13850  1.0 1.0
   34    33    41    44  -1.34450 -1.0 2.0
   34    33    41    44   0.57400  1.0 3.0
   38    33    41    44   0.01700  1.0 1.0
   38    33    41    44  -0.23550 -1.0 2.0
   38    33    41    44   0.21350  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.00000  1.0 1.0
   38    42    48    51   0.65300  1.0 1.0
   38    42    48    51  -0.03850 -1.0 2.0
   38    42    48    51   0.33900  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    48   0.00000  1.0 1.0
   42    48    51    52   0.30150 -1.0 2.0
   42    48    51    53   0.65300  1.0 1.0
   42    48    51    53  -0.03850 -1.0 2.0
   42    48    51    53   0.33900  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    51   0.30150 -1.0 2.0
   48    51    53    54   0.00000  1.0 1.0
   48    51    53    55   0.00000  1.0 1.0
   48    51    53    56   0.60050  1.0 1.0
   48    51    53    56   0.05600 -1.0 2.0
   48    51    53    56   0.26150  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    53   0.00000  1.0 1.0
   51    53    56    57  -0.98800  1.0 1.0
   51    53    56    57   0.48800 -1.0 2.0
   51    53    56    57   0.76800  1.0 3.0
   51    53    56    74  -0.95700  1.0 1.0
   51    53    56    74  -0.18200 -1.0 2.0
   51    53    56    74   0.29450  1.0 3.0
   51    53    56    58  -0.09450  1.0 1.0
   51    53    56    58  -1.12950 -1.0 2.0
   51    53    56    58   0.54000  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.30150 -1.0 2.0
   53    56    57    60   0.09850  1.0 1.0
   53    56    57    60   0.15250 -1.0 2.0
   53    56    57    60  -0.50650  1.0 3.0
   53    56    57    62   0.09700  1.0 1.0
   53    56    57    62   0.15600 -1.0 2.0
   53    56    57    62  -0.50800  1.0 3.0
   53    56    74    70  -0.95700  1.0 1.0
   53    56    74    70  -0.18200 -1.0 2.0
   53    56    74    70   0.29450  1.0 3.0
   53    56    74    75   0.15000  1.0 3.0
   53    56    74    76   0.15000  1.0 3.0
   53    56    58    59  -0.11600  1.0 1.0
   53    56    58    59  -0.09450 -1.0 2.0
   53    56    58    59   0.21250  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    74   0.15000  1.0 3.0
   54    53    56    58   0.23400  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    74   0.15000  1.0 3.0
   55    53    56    58   0.23400  1.0 3.0
   56    57    60    61   7.00000 -1.0 2.0
   56    57    60    64   7.00000 -1.0 2.0
   56    57    62    63  -0.64400  1.0 1.0
   56    57    62    63   0.26850 -1.0 2.0
   56    57    62    67   0.25700  1.0 1.0
   56    57    62    67   0.66200 -1.0 2.0
   56    57    62    67   0.04450  1.0 3.0
   57    56    74    70  -0.98800  1.0 1.0
   57    56    74    70   0.48800 -1.0 2.0
   57    56    74    70   0.76800  1.0 3.0
   57    56    74    75   0.15000  1.0 3.0
   57    56    74    76   0.15000  1.0 3.0
   57    56    58    59  -0.07800  1.0 1.0
   57    56    58    59  -0.21500 -1.0 2.0
   57    56    58    59  -0.03150  1.0 3.0
   57    60    64    65   0.00000  1.0 1.0
   57    60    64    66   0.00000  1.0 1.0
   57    60   -64    70  -0.51250  1.0 1.0
   57    60   -64    70  -0.88800 -1.0 2.0
   57    60   -64    70   0.08850  1.0 3.0
   57    62    67    68   0.00000  1.0 1.0
   57    62    67    69   0.00000  1.0 1.0
   57    62    67    72   0.65300  1.0 1.0
   57    62    67    72  -0.03850 -1.0 2.0
   57    62    67    72   0.33900  1.0 3.0
   60    57    62    63   1.00000 -1.0 2.0
   60    57    62    67  -0.33500  1.0 1.0
   60    57    62    67   1.06600 -1.0 2.0
   60    57    62    67  -0.14000  1.0 3.0
   60    64    70    71   0.30150 -1.0 2.0
   60    64    70    74   0.65300  1.0 1.0
   60    64    70    74  -0.03850 -1.0 2.0
   60    64    70    74   0.33900  1.0 3.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    66   0.00000  1.0 1.0
   61    60    64    70   0.09700  1.0 1.0
   61    60    64    70   0.15600 -1.0 2.0
   61    60    64    70  -0.50800  1.0 3.0
   64    70   -74    56   0.60050  1.0 1.0
   64    70   -74    56   0.05600 -1.0 2.0
   64    70   -74    56   0.26150  1.0 3.0
   64    70    74    75   0.00000  1.0 1.0
   64    70    74    76   0.00000  1.0 1.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    74   0.00000  1.0 1.0
   66    64    70    71   0.00000  1.0 1.0
   66    64    70    74   0.00000  1.0 1.0
   71    70    74    56   0.30150 -1.0 2.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    76   0.00000  1.0 1.0
   74    56   -57    60   0.09850  1.0 1.0
   74    56   -57    60   0.15250 -1.0 2.0
   74    56   -57    60  -0.50650  1.0 3.0
   74    56    57    62   0.09700  1.0 1.0
   74    56    57    62   0.15600 -1.0 2.0
   74    56    57    62  -0.50800  1.0 3.0
   74    56    58    59  -0.11600  1.0 1.0
   74    56    58    59  -0.09450 -1.0 2.0
   74    56    58    59   0.21250  1.0 3.0
   62    57    60    61   7.00000 -1.0 2.0
   62    57    60    64   7.00000 -1.0 2.0
   62    67    72    73   0.30150 -1.0 2.0
   62    67    72    77   0.65300  1.0 1.0
   62    67    72    77  -0.03850 -1.0 2.0
   62    67    72    77   0.33900  1.0 3.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    69   0.00000  1.0 1.0
   63    62    67    72   0.30150 -1.0 2.0
   67    72    77    78   0.00000  1.0 1.0
   67    72    77    79   0.00000  1.0 1.0
   67    72    77    80   0.65300  1.0 1.0
   67    72    77    80  -0.03850 -1.0 2.0
   67    72    77    80   0.33900  1.0 3.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    77   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   69    67    72    77   0.00000  1.0 1.0
   72    77    80    81   0.30150 -1.0 2.0
   72    77    80    82   0.65300  1.0 1.0
   72    77    80    82  -0.03850 -1.0 2.0
   72    77    80    82   0.33900  1.0 3.0
   73    72    77    78   0.00000  1.0 1.0
   73    72    77    79   0.00000  1.0 1.0
   73    72    77    80   0.30150 -1.0 2.0
   77    80    82    83   0.00000  1.0 1.0
   77    80    82    84   0.00000  1.0 1.0
   77    80    82    85   0.65300  1.0 1.0
   77    80    82    85  -0.03850 -1.0 2.0
   77    80    82    85   0.33900  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   79    77    80    81   0.00000  1.0 1.0
   79    77    80    82   0.00000  1.0 1.0
   80    82    85    86   0.30150 -1.0 2.0
   80    82    85    87   0.65300  1.0 1.0
   80    82    85    87  -0.03850 -1.0 2.0
   80    82    85    87   0.33900  1.0 3.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    84   0.00000  1.0 1.0
   81    80    82    85   0.30150 -1.0 2.0
   82    85    87    88   0.00000  1.0 1.0
   82    85    87    89   0.00000  1.0 1.0
   82    85    87    90   0.00000  1.0 1.0
   83    82    85    86   0.00000  1.0 1.0
   83    82    85    87   0.00000  1.0 1.0
   84    82    85    86   0.00000  1.0 1.0
   84    82    85    87   0.00000  1.0 1.0
   86    85    87    88   0.00000  1.0 1.0
   86    85    87    89   0.00000  1.0 1.0
   86    85    87    90   0.00000  1.0 1.0
   58    56    57    60   0.67800  1.0 1.0
   58    56    57    60   0.47050 -1.0 2.0
   58    56    57    60  -0.62500  1.0 3.0
   58    56    57    62   0.09700  1.0 1.0
   58    56    57    62   0.15600 -1.0 2.0
   58    56    57    62  -0.50800  1.0 3.0
   58    56    74    70  -0.09450  1.0 1.0
   58    56    74    70  -1.12950 -1.0 2.0
   58    56    74    70   0.54000  1.0 3.0
   58    56    74    75   0.23400  1.0 3.0
   58    56    74    76   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  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
   38    48    42    43  10.50000 -1.0 2.0
   48    53    51    52  10.50000 -1.0 2.0
   56    62    57    60   1.10000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   64    74    70    71  10.50000 -1.0 2.0
   57    67    62    63  10.50000 -1.0 2.0
   67    77    72    73  10.50000 -1.0 2.0
   77    82    80    81  10.50000 -1.0 2.0
   82    87    85    86  10.50000 -1.0 2.0
END
