* LIGAND DATABASE FILE (OPLS2005)
*
001      87    86    154    225     450
    1     0 S   NP   _N1_     1    28.91872    95.76088   -19.86608
    2     1 S   H    _HN1     2     1.02775    76.88490   -94.85553
    3     1 S   H    _H1_     3     1.02954    86.63255    14.81894
    4     1 S   H    _H2_     4     1.02833    45.49124   132.98846
    5     1 S   CT   _CA1     5     1.50138   155.42293   150.21909
    6     5 S   HC   _HA1     6     1.09572   105.25978    46.43077
    7     5 S   CO3  _C1_     7     1.53940   111.99491   -73.76989
    8     7 S   O2Z  _O11     8     1.26377   115.04324   -50.26082
    9     7 S   O2Z  _O12     9     1.26217   114.96440   128.46597
   10     5 S   CT   _CB1    10     1.53101   107.34863   164.28854
   11    10 S   HC   HB11    11     1.09817   109.73187   -49.26497
   12    10 S   HC   HB12    12     1.09815   110.31660    67.42210
   13    10 S   CT   _CG1    13     1.52921   112.40239  -170.23956
   14    13 S   HC   HG11    14     1.09520   110.17042   -57.55968
   15    13 S   HC   HG12    15     1.09622   110.15216    61.53432
   16    13 S   C    _CD1    16     1.51807   112.31080  -177.73730
   17    16 S   O    _OE1    17     1.22739   123.24474    -6.87387
   18    16 S   N    _N2_    18     1.38443   111.53979   172.93459
   19    18 S   H    _HN2    19     1.02042   118.82639     3.87141
   20    18 S   CT1  _CA2    20     1.46108   123.91166  -174.64251
   21    20 S   HC   _HA2    21     1.09732   109.18310   -16.72973
   22    20 S   C    _C2_    22     1.53466   108.96593  -132.56799
   23    22 S   O    _O2_    23     1.23052   122.16894  -150.70320
   24    20 S   CT   _CB2    32     1.53575   111.00432   105.17730
   25    24 S   HC   HB21    33     1.09535   109.60123    52.82454
   26    24 S   HC   HB22    34     1.09463   110.60679   172.02755
   27    22 S   N    _N3_    24     1.38481   113.51665    37.32356
   28    27 S   H    _HN3    25     1.01513   118.81474    -2.90569
   29    24 S   S    _SG2    35     1.82855   111.56382   -68.11328
   30    27 S   CT   _CA3    26     1.45392   123.39286   174.88779
   31    30 S   HC   HA31    27     1.09535   109.06158    27.44929
   32    30 S   HC   HA32    28     1.09493   107.16524   144.38371
   33    29 S   CT   _C14    36     1.84266   100.00772   164.22964
   34    33 S   HC   _H3_    37     1.09078   105.76998   -52.65690
   35    30 S   CO3  _C3_    29     1.52943   113.25396   -95.92564
   36    35 S   O2Z  _O31    30     1.26411   115.51928   -43.66716
   37    35 S   O2Z  _O32    31     1.26390   114.98535   137.31161
   38    33 S   CM   _C15    38     1.50883   106.95547  -171.10093
   39    38 S   HC   _H20    39     1.09073   116.01785   -62.55307
   40    33 S   CM   _C13    61     1.50885   109.73702    68.84146
   41    40 S   HC   _H19    62     1.09284   114.76304    50.03247
   42    38 S   CM   _C16    40     1.34326   127.60812   116.39277
   43    42 S   HC   _H21    41     1.08931   117.03000  -178.59863
   44    40 S   CMA  _C12    63     1.35465   128.84707  -129.81569
   45    44 S   OM   _O35    64     1.26429   128.27186   179.79826
   46    42 S   CT   _C17    42     1.50129   127.71280     1.97675
   47    46 S   HC   _H22    43     1.09712   107.85886   141.09941
   48    46 S   HC   _H23    44     1.09115   110.66470    26.18550
   49    44 S   CT   _C11    65     1.53415   120.48500    -2.34819
   50    49 S   HC   _H17    66     1.09945   109.81589  -142.28401
   51    49 S   HC   _H18    67     1.09550   110.39392   -27.60647
   52    46 S   CM   _C18    45     1.50092   111.68857   -99.99926
   53    52 S   HC   _H24    46     1.08968   115.75182   -50.18856
   54    49 S   CM   _C10    68     1.50890   112.96044    93.89462
   55    54 S   HC   _H16    69     1.08847   116.75875   -21.10559
   56    52 S   CM   _C19    47     1.34248   127.56161   130.59893
   57    56 S   HC   _H25    48     1.08986   117.03363   179.85463
   58    54 S   CM   _C9_    70     1.34254   126.36302   160.22912
   59    58 S   HC   _H15    71     1.08871   117.10159   179.63470
   60    56 S   CT   _C20    49     1.50141   127.78365     1.24537
   61    60 S   HC   _H26    50     1.09699   108.07550   121.36008
   62    60 S   HC   _H27    51     1.09359   112.03355     4.60908
   63    58 S   CT   _C8_    72     1.50193   127.03767     0.20367
   64    63 S   HC   _H13    73     1.09671   108.60967  -131.98362
   65    63 S   HC   _H14    74     1.09472   111.00432   -15.94640
   66    60 S   CT   _C21    52     1.52912   111.25153  -118.39664
   67    66 S   HC   _H28    53     1.09732   109.79190   -58.69182
   68    66 S   HC   _H29    54     1.09638   109.61603    58.42382
   69    63 S   CT   _C7_    75     1.53243   112.97400   105.83053
   70    69 S   HC   _H11    76     1.09735   109.67029   -55.99943
   71    69 S   HC   _H12    77     1.09728   108.22413  -171.99129
   72    66 S   CT   _C22    55     1.52462   111.21790   179.79537
   73    72 S   HC   _H30    56     1.09685   109.40864    56.77733
   74    72 S   HC   _H31    57     1.09585   109.16246   -60.51685
   75    69 S   CT   _C6_    78     1.53149   113.48668    67.13982
   76    75 S   HC   _H9_    79     1.09535   110.28127   -60.24800
   77    75 S   HC   _H10    80     1.09675   109.54370    57.35123
   78    72 S   CO3  _C23    58     1.53019   115.69947   178.20234
   79    78 S   O2Z  _O34    59     1.26495   114.08790  -178.79650
   80    78 S   O2Z  _O33    60     1.26151   116.57143     1.21611
   81    75 S   CT   _C5_    81     1.52908   111.13140   178.54828
   82    81 S   HC   _H7_    82     1.09619   109.92241    57.12030
   83    81 S   HC   _H8_    83     1.09617   109.84583   -60.59111
   84    81 S   CT   _C4_    84     1.52024   111.46074   178.22205
   85    84 S   HC   _H4_    85     1.09464   111.00660    60.06402
   86    84 S   HC   _H5_    86     1.09446   110.26037   179.83929
   87    84 S   HC   _H6_    87     1.09478   110.97882   -60.45814
  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
  11   6   2   1   1  10   4   8   3   7   4   7   4   7   4   3
   7   4   3   7   3   7   3   8   4   8   4   9   5   4   9   5
   4   8   5   4   9   5   4   5   4   3   9   5   4   2   1   1
   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    52    40    41    44  
   42    43    46    40  
   41    44    45    49    50    51    54    42  
   44    45    49  
   43    46    47    48    52    53    56  
   46    47    48    52  
   45    49    50    51    54    55    58  
   49    50    51    54  
   47    48    52    53    56    57    60  
   48    52    53    56  
   52    53    56  
   50    51    54    55    58    59    63  
   51    54    55    58  
   54    55    58  
   53    56    57    60    61    62    66  
   56    57    60  
   55    58    59    63    64    65    69  
   58    59    63  
   57    60    61    62    66    67    68    72  
   60    61    62    66  
   59    63    64    65    69    70    71    75  
   63    64    65    69  
   61    62    66    67    68    72    73    74    78  
   62    66    67    68    72  
   66    67    68    72  
   64    65    69    70    71    75    76    77    81  
   65    69    70    71    75  
   69    70    71    75  
   67    68    72    73    74    78    79    80  
   68    72    73    74    78  
   72    73    74    78  
   70    71    75    76    77    81    82    83    84  
   71    75    76    77    81  
   75    76    77    81  
   73    74    78    79    80  
   74    78    79    80  
   78    79    80  
   76    77    81    82    83    84    85    86    87  
   77    81    82    83    84  
   81    82    83    84  
   79    80  
   80  
    0  
   82    83    84    85    86    87  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.107500   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   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   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    57   340.000  1.080
   56    60   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   317.000  1.522
   78    79   656.000  1.250
   78    80   656.000  1.250
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    49   270.000  1.512
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   317.000  1.510
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    52    70.00000  110.12100
   46    42    43    35.00000  117.00000
   46    52    53    35.00000  117.00000
   46    52    56    70.00000  124.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    56    57    35.00000  120.00000
   52    56    60    70.00000  124.00000
   56    52    53    35.00000  120.00000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    66    70.00000  112.02700
   60    56    57    35.00000  117.00000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    72    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    78    70.00000  109.69300
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    70.00000  117.00000
   72    78    80    70.00000  117.00000
   74    72    73    33.00000  107.80000
   78    72    73    35.00000  109.50000
   78    72    74    35.00000  109.50000
   80    78    79    80.00000  126.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    49    65.00000  122.18000
   44    40    41    40.00000  120.50800
   44    49    50    45.00000  110.52000
   44    49    51    45.00000  110.52000
   44    49    54    70.00000  110.12100
   49    44    45    85.00000  112.85300
   49    54    55    35.00000  117.00000
   49    54    58    70.00000  124.00000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    58    59    35.00000  120.00000
   54    58    63    70.00000  124.00000
   58    54    55    35.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    69    70.00000  112.02700
   63    58    59    35.00000  117.00000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    75    58.35000  112.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    81    58.35000  112.70000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    84    58.35000  112.70000
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    49   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    52  -0.28300  1.0 1.0
   38    42    46    52   0.26700 -1.0 2.0
   38    42    46    52  -0.63300  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    52    53   0.00000  1.0 1.0
   42    46    52    56  -0.28300  1.0 1.0
   42    46    52    56   0.26700 -1.0 2.0
   42    46    52    56  -0.63300  1.0 3.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    48   0.33100  1.0 3.0
   43    42    46    52   0.00000  1.0 1.0
   46    52    56    57   7.00000 -1.0 2.0
   46    52    56    60   7.00000 -1.0 2.0
   47    46    52    53   0.33100  1.0 3.0
   47    46    52    56   0.00000  1.0 1.0
   48    46    52    53   0.33100  1.0 3.0
   48    46    52    56   0.00000  1.0 1.0
   52    56    60    61   0.00000  1.0 1.0
   52    56    60    62   0.00000  1.0 1.0
   52    56    60    66   0.09850  1.0 1.0
   52    56    60    66   0.15250 -1.0 2.0
   52    56    60    66  -0.50650  1.0 3.0
   53    52    56    57   7.00000 -1.0 2.0
   53    52    56    60   7.00000 -1.0 2.0
   56    60    66    67   0.15000  1.0 3.0
   56    60    66    68   0.15000  1.0 3.0
   56    60    66    72   0.34400  1.0 1.0
   56    60    66    72   0.09450 -1.0 2.0
   56    60    66    72   0.11100  1.0 3.0
   57    56    60    61   0.33100  1.0 3.0
   57    56    60    62   0.33100  1.0 3.0
   57    56    60    66   0.00000  1.0 1.0
   60    66    72    73   0.15000  1.0 3.0
   60    66    72    74   0.15000  1.0 3.0
   60    66    72    78  -1.63150  1.0 1.0
   60    66    72    78  -0.43550 -1.0 2.0
   60    66    72    78   0.24500  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    72   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    72   0.15000  1.0 3.0
   66    72    78    79   0.41150 -1.0 2.0
   66    72    78    80   0.41150 -1.0 2.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    78  -0.11250  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    78  -0.11250  1.0 3.0
   73    72    78    79   0.00000  1.0 1.0
   73    72    78    80   0.00000  1.0 1.0
   74    72    78    79   0.00000  1.0 1.0
   74    72    78    80   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    49    50   0.00000  1.0 1.0
   40    44    49    51   0.00000  1.0 1.0
   40    44    49    54  -0.28300  1.0 1.0
   40    44    49    54   0.26700 -1.0 2.0
   40    44    49    54  -0.63300  1.0 3.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    49   7.00000 -1.0 2.0
   44    49    54    55   0.00000  1.0 1.0
   44    49    54    58  -0.28300  1.0 1.0
   44    49    54    58   0.26700 -1.0 2.0
   44    49    54    58  -0.63300  1.0 3.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    51   0.00000  1.0 1.0
   45    44    49    54   0.09700  1.0 1.0
   45    44    49    54   0.15600 -1.0 2.0
   45    44    49    54  -0.50800  1.0 3.0
   49    54    58    59   7.00000 -1.0 2.0
   49    54    58    63   7.00000 -1.0 2.0
   50    49    54    55   0.33100  1.0 3.0
   50    49    54    58   0.00000  1.0 1.0
   51    49    54    55   0.33100  1.0 3.0
   51    49    54    58   0.00000  1.0 1.0
   54    58    63    64   0.00000  1.0 1.0
   54    58    63    65   0.00000  1.0 1.0
   54    58    63    69   0.09850  1.0 1.0
   54    58    63    69   0.15250 -1.0 2.0
   54    58    63    69  -0.50650  1.0 3.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    63   7.00000 -1.0 2.0
   58    63    69    70   0.15000  1.0 3.0
   58    63    69    71   0.15000  1.0 3.0
   58    63    69    75   0.34400  1.0 1.0
   58    63    69    75   0.09450 -1.0 2.0
   58    63    69    75   0.11100  1.0 3.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.33100  1.0 3.0
   59    58    63    69   0.00000  1.0 1.0
   63    69    75    76   0.15000  1.0 3.0
   63    69    75    77   0.15000  1.0 3.0
   63    69    75    81   0.56750  1.0 1.0
   63    69    75    81  -0.07550 -1.0 2.0
   63    69    75    81   0.20000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    75   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    75   0.15000  1.0 3.0
   69    75    81    82   0.15000  1.0 3.0
   69    75    81    83   0.15000  1.0 3.0
   69    75    81    84   0.56750  1.0 1.0
   69    75    81    84  -0.07550 -1.0 2.0
   69    75    81    84   0.20000  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    81   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    81   0.15000  1.0 3.0
   75    81    84    85   0.15000  1.0 3.0
   75    81    84    86   0.15000  1.0 3.0
   75    81    84    87   0.15000  1.0 3.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    84   0.15000  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    84   0.15000  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87   0.15000  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87   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
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   46    53    52    56  15.00000 -1.0 2.0
   60    57    56    52  15.00000 -1.0 2.0
   79    72    78    80  10.50000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   49    45    44    40  15.00000 -1.0 2.0
   49    55    54    58  15.00000 -1.0 2.0
   63    59    58    54  15.00000 -1.0 2.0
END
