* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    151    215     431
    1     0 S   NP   _N1_     1    29.86301    91.33322   -18.16108
    2     1 S   H    _HN1     2     1.02734    97.86946   -38.96650
    3     1 S   H    _H1_     3     1.03509   134.88065    83.79419
    4     1 S   H    _H2_     4     1.02751    28.11982    75.93006
    5     1 S   CT   _CA1     5     1.50164    93.08100  -152.01147
    6     5 S   HC   _HA1     6     1.09621   104.65989    50.53059
    7     5 S   CO3  _C1_     7     1.54028   113.41794   -67.40002
    8     7 S   O2Z  _O11     8     1.26319   115.39232   -17.62762
    9     7 S   O2Z  _O12     9     1.26344   115.03541   160.13012
   10     5 S   CT   _CB1    10     1.53088   106.86024   167.74431
   11    10 S   HC   HB11    11     1.09866   109.17080   -47.65715
   12    10 S   HC   HB12    12     1.09724   109.91708    68.25142
   13    10 S   CT   _CG1    13     1.52896   113.54317  -169.20209
   14    13 S   HC   HG11    14     1.09559   111.03685   -76.41063
   15    13 S   HC   HG12    15     1.09616   110.80745    43.05421
   16    13 S   C    _CD1    16     1.51423   110.67004   162.38228
   17    16 S   O    _OE1    17     1.22920   121.63518  -102.83717
   18    16 S   N    _N2_    18     1.38184   113.24151    76.27531
   19    18 S   H    _HN2    19     1.02051   119.37168     2.89719
   20    18 S   CT1  _CA2    20     1.45752   122.71076  -178.78921
   21    20 S   HC   _HA2    21     1.09753   108.47621    30.75151
   22    20 S   C    _C2_    22     1.52982   107.77039   -86.55651
   23    22 S   O    _O2_    23     1.22919   123.10656   -28.18636
   24    20 S   CT   _CB2    32     1.53208   112.11076   153.48534
   25    24 S   HC   HB21    33     1.09404   109.67103    56.25618
   26    24 S   HC   HB22    34     1.09529   110.49933   174.79820
   27    22 S   N    _N3_    24     1.38699   112.26627   154.53126
   28    27 S   H    _HN3    25     1.01493   119.63725     1.15487
   29    24 S   S    _SG2    35     1.82640   111.08134   -65.31089
   30    27 S   CT   _CA3    26     1.45461   122.99563   175.82477
   31    30 S   HC   HA31    27     1.09530   109.08963    27.28773
   32    30 S   HC   HA32    28     1.09484   107.12054   144.41462
   33    29 S   CT   _C14    36     1.82098    99.66365   172.04120
   34    33 S   HC   _H18    37     1.09630   108.90678    51.76266
   35    33 S   HC   _H19    38     1.09619   107.61006   165.44467
   36    30 S   CO3  _C3_    29     1.53038   113.55092   -95.87692
   37    36 S   O2Z  _O31    30     1.26379   115.77935   -32.42789
   38    36 S   O2Z  _O32    31     1.26413   114.72506   148.54765
   39    33 S   CT   _C13    39     1.53269   114.58127   -72.11056
   40    39 S   HC   _H8_    40     1.09414   110.89415    62.06944
   41    39 S   CT   _C10    41     1.52951   114.75715   -65.70640
   42    41 S   HC   _H6_    42     1.09282   114.79039    31.33100
   43    41 S   CT   _C11    43     1.51204   102.72806   -90.93186
   44    43 S   HC   _H16    44     1.09620   109.83006    81.64773
   45    43 S   HC   _H17    45     1.09364   113.90976  -156.02911
   46    41 S   OS   _O37    53     1.42884   109.20623   154.73397
   47    43 S   CT   _C12    46     1.51843   101.89562   -35.96586
   48    47 S   HC   _H7_    47     1.09664   110.44423   -81.95874
   49    46 S   P2   _P1_    54     1.63532   119.42930   -99.70944
   50    49 S   O2Z  _O36    55     1.51302   108.06091   176.55394
   51    49 S   O2Z  _O35    56     1.51273   109.11892    43.92074
   52    39 S   OS   _O38    48     1.45024   106.31852   177.11900
   53    47 S   CT   _C15    49     1.51654   113.37975   154.66533
   54    53 S   HC   _H20    50     1.09554   111.03625   -60.67470
   55    53 S   HC   _H21    51     1.09521   110.33327  -178.57907
   56    53 S   HC   _H22    52     1.09398   111.25270    60.66966
   57    49 S   OS   _O34    57     1.63457    99.36809   -69.50005
   58    57 S   CT   _C9_    58     1.42016   118.67860   -75.98800
   59    58 S   HC   _H14    59     1.09567   108.59569   -77.89146
   60    58 S   HC   _H15    60     1.09595   110.32091    39.03776
   61    58 S   CT   _C8_    61     1.52654   110.00581   161.72759
   62    61 S   HC   _H5_    62     1.09532   110.06812    56.11433
   63    61 S   CT   _C7_    63     1.52746   112.99099   -68.79532
   64    63 S   HC   _H4_    64     1.09214   114.11203    30.37660
   65    63 S   CT   _C6_    65     1.51170   102.67471   -91.81845
   66    65 S   HC   _H12    66     1.09609   109.90197    81.60262
   67    65 S   HC   _H13    67     1.09416   113.87123  -156.10751
   68    63 S   OS   _O39    75     1.42744   109.46712   153.63014
   69    65 S   CT   _C5_    68     1.51972   101.79168   -35.75774
   70    69 S   HC   _H3_    69     1.09666   110.41666   -82.13391
   71    68 S   P2   _P2_    76     1.63077   119.01229  -101.82907
   72    71 S   O2Z  _O42    77     1.51102   108.52708   177.72841
   73    71 S   O2Z  _O40    78     1.51101   109.83725    43.92654
   74    61 S   OS   _O33    70     1.44365   107.66508   173.73878
   75    69 S   CT   _C4_    71     1.51660   113.39250   154.48452
   76    75 S   HC   _H9_    72     1.09554   111.03316   -60.70136
   77    75 S   HC   _H10    73     1.09521   110.33256  -178.60254
   78    75 S   HC   _H11    74     1.09397   111.25598    60.64519
   79    71 S   OS   _O41    79     1.63022    99.24439   -69.98536
   80    79 S   HO   _H23    80     0.97889   116.11141   -82.06250
  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
  10   5   4   2   1   1  12   6  13   7  11   6   5   7   6   5
   7   3   2   4   3   2   1   1   7  10   5   4  12   6  13   7
  11   6   5   7   6   5   4   3   2   4   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    46  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    52    53    46    49  
   41    42    43    47    52    46  
   42    43    44    45    47    48    52    53    46    49    50    51    57  
   43    44    45    47    52    46    49  
   44    45    47    48    52    53    54    55    56    46    49  
   45    47    48    52    53    46  
   47    48    52    53    46  
   49    50    51    57    58    47    52  
   48    52    53    54    55    56  
   52    53    54    55    56  
   50    51    57    58    59    60    61  
   51    57    58  
   57    58  
   53    54    55    56  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62    63    74  
   59    60    61    62    63    64    65    69    74    68  
   60    61    62    63    74  
   61    62    63    74  
   62    63    64    65    66    67    69    70    74    75    68    71  
   63    64    65    69    74    68  
   64    65    66    67    69    70    74    75    68    71    72    73    79  
   65    66    67    69    74    68    71  
   66    67    69    70    74    75    76    77    78    68    71  
   67    69    70    74    75    68  
   69    70    74    75    68  
   71    72    73    79    80    69    74  
   70    74    75    76    77    78  
   74    75    76    77    78  
   72    73    79    80  
   73    79    80  
   79    80  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   50   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   72   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   73   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    52   320.000  1.410
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   46    49   230.000  1.697
   49    50   525.000  1.480
   49    51   525.000  1.480
   49    57   230.000  1.697
   57    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    74   320.000  1.410
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    68   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    74   320.000  1.410
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   68    71   230.000  1.697
   71    72   525.000  1.480
   71    73   525.000  1.480
   71    79   230.000  1.697
   79    80   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    52    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    52    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    49   100.00000  120.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    52    50.00000  109.50000
   43    47    53    58.35000  112.70000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    56    37.50000  110.70000
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   53    47    48    37.50000  110.70000
   53    47    52    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
   46    49    50   100.00000  108.23000
   46    49    51   100.00000  108.23000
   46    49    57    45.00000  102.60000
   49    57    58   100.00000  120.50000
   51    49    50   140.00000  119.90000
   57    49    50   100.00000  108.23000
   57    49    51   100.00000  108.23000
   57    58    59    35.00000  109.50000
   57    58    60    35.00000  109.50000
   57    58    61    50.00000  109.50000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    74    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    58.35000  112.70000
   61    63    68    50.00000  109.50000
   61    74    69    60.00000  109.50000
   63    61    62    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    68    71   100.00000  120.50000
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    74    50.00000  109.50000
   65    69    75    58.35000  112.70000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   74    61    62    35.00000  109.50000
   74    61    63    50.00000  109.50000
   74    69    70    35.00000  109.50000
   75    69    70    37.50000  110.70000
   75    69    74    50.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    50.00000  109.50000
   68    71    72   100.00000  108.23000
   68    71    73   100.00000  108.23000
   68    71    79    45.00000  102.60000
   71    79    80    45.00000  108.50000
   73    71    72   140.00000  119.90000
   79    71    72   100.00000  108.23000
   79    71    73   100.00000  108.23000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    46   0.62750  1.0 1.0
   33    39    41    46  -0.30950 -1.0 2.0
   33    39    41    46   0.27300  1.0 3.0
   33    39    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    45   0.15000  1.0 3.0
   39    41   -43    47   0.56750  1.0 1.0
   39    41   -43    47  -0.07550 -1.0 2.0
   39    41   -43    47   0.20000  1.0 3.0
   39    41    46    49  -2.65550  1.0 1.0
   39    41    46    49  -0.22350 -1.0 2.0
   39    41    46    49   0.24150  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    47    53   0.56750  1.0 1.0
   41    43    47    53  -0.07550 -1.0 2.0
   41    43    47    53   0.20000  1.0 3.0
   41    46    49    50   0.00000  1.0 1.0
   41    46    49    51   0.00000  1.0 1.0
   41    46    49    57   0.05050  1.0 1.0
   41    46    49    57  -1.30700 -1.0 2.0
   41    46    49    57   0.91550  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    49   0.03000  1.0 3.0
   43    41    46    49  -2.65550  1.0 1.0
   43    41    46    49  -0.22350 -1.0 2.0
   43    41    46    49   0.24150  1.0 3.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   43    47    53    54   0.15000  1.0 3.0
   43    47    53    55   0.15000  1.0 3.0
   43    47    53    56   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    52   0.23400  1.0 3.0
   45    43    47    53   0.15000  1.0 3.0
   48    47    52    39   0.37050  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    56   0.15000  1.0 3.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    46   1.11900  1.0 1.0
   52    39    41    46  -1.16350 -1.0 2.0
   52    39    41    46  -0.34150  1.0 3.0
   52    47    53    54   0.23400  1.0 3.0
   52    47    53    55   0.23400  1.0 3.0
   52    47    53    56   0.23400  1.0 3.0
   53    47    52    39   0.06250  1.0 1.0
   53    47    52    39  -0.01100 -1.0 2.0
   53    47    52    39   0.28050  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    47   0.62750  1.0 1.0
   46    41    43    47  -0.30950 -1.0 2.0
   46    41    43    47   0.27300  1.0 3.0
   46    49    57    58   0.05050  1.0 1.0
   46    49    57    58  -1.30700 -1.0 2.0
   46    49    57    58   0.91550  1.0 3.0
   49    57    58    59   0.03000  1.0 3.0
   49    57    58    60   0.03000  1.0 3.0
   49    57    58    61  -2.65550  1.0 1.0
   49    57    58    61  -0.22350 -1.0 2.0
   49    57    58    61   0.24150  1.0 3.0
   50    49    57    58   0.00000  1.0 1.0
   51    49    57    58   0.00000  1.0 1.0
   57    58    61    62   0.23400  1.0 3.0
   57    58    61    63   0.62750  1.0 1.0
   57    58    61    63  -0.30950 -1.0 2.0
   57    58    61    63   0.27300  1.0 3.0
   57    58    61    74   1.11900  1.0 1.0
   57    58    61    74  -1.16350 -1.0 2.0
   57    58    61    74  -0.34150  1.0 3.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    65   0.56750  1.0 1.0
   58    61    63    65  -0.07550 -1.0 2.0
   58    61    63    65   0.20000  1.0 3.0
   58    61    63    68   0.62750  1.0 1.0
   58    61    63    68  -0.30950 -1.0 2.0
   58    61    63    68   0.27300  1.0 3.0
   58    61    74    69   0.06250  1.0 1.0
   58    61    74    69  -0.01100 -1.0 2.0
   58    61    74    69   0.28050  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    74   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    74   0.23400  1.0 3.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    67   0.15000  1.0 3.0
   61    63   -65    69   0.56750  1.0 1.0
   61    63   -65    69  -0.07550 -1.0 2.0
   61    63   -65    69   0.20000  1.0 3.0
   61    63    68    71  -2.65550  1.0 1.0
   61    63    68    71  -0.22350 -1.0 2.0
   61    63    68    71   0.24150  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    68   0.23400  1.0 3.0
   62    61    74    69   0.37050  1.0 3.0
   63    61   -74    69   0.06250  1.0 1.0
   63    61   -74    69  -0.01100 -1.0 2.0
   63    61   -74    69   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    74   0.62750  1.0 1.0
   63    65   -69    74  -0.30950 -1.0 2.0
   63    65   -69    74   0.27300  1.0 3.0
   63    65    69    75   0.56750  1.0 1.0
   63    65    69    75  -0.07550 -1.0 2.0
   63    65    69    75   0.20000  1.0 3.0
   63    68    71    72   0.00000  1.0 1.0
   63    68    71    73   0.00000  1.0 1.0
   63    68    71    79   0.05050  1.0 1.0
   63    68    71    79  -1.30700 -1.0 2.0
   63    68    71    79   0.91550  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    68    71   0.03000  1.0 3.0
   65    63    68    71  -2.65550  1.0 1.0
   65    63    68    71  -0.22350 -1.0 2.0
   65    63    68    71   0.24150  1.0 3.0
   65    69   -74    61   0.06250  1.0 1.0
   65    69   -74    61  -0.01100 -1.0 2.0
   65    69   -74    61   0.28050  1.0 3.0
   65    69    75    76   0.15000  1.0 3.0
   65    69    75    77   0.15000  1.0 3.0
   65    69    75    78   0.15000  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    74   0.23400  1.0 3.0
   66    65    69    75   0.15000  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    74   0.23400  1.0 3.0
   67    65    69    75   0.15000  1.0 3.0
   70    69    74    61   0.37050  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   74    61    63    64   0.23400  1.0 3.0
   74    61   -63    65   0.62750  1.0 1.0
   74    61   -63    65  -0.30950 -1.0 2.0
   74    61   -63    65   0.27300  1.0 3.0
   74    61    63    68   1.11900  1.0 1.0
   74    61    63    68  -1.16350 -1.0 2.0
   74    61    63    68  -0.34150  1.0 3.0
   74    69    75    76   0.23400  1.0 3.0
   74    69    75    77   0.23400  1.0 3.0
   74    69    75    78   0.23400  1.0 3.0
   75    69    74    61   0.06250  1.0 1.0
   75    69    74    61  -0.01100 -1.0 2.0
   75    69    74    61   0.28050  1.0 3.0
   68    63    65    66   0.23400  1.0 3.0
   68    63    65    67   0.23400  1.0 3.0
   68    63    65    69   0.62750  1.0 1.0
   68    63    65    69  -0.30950 -1.0 2.0
   68    63    65    69   0.27300  1.0 3.0
   68    71    79    80   0.00000  1.0 1.0
   72    71    79    80   0.00000  1.0 1.0
   73    71    79    80   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
END
