* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    155    232     445
    1     0 S   NP   _N1_     1    28.92815    94.93499   -26.01012
    2     1 S   H    _HN1     2     1.02828    30.02139  -164.77539
    3     1 S   H    _H1_     3     1.02792   120.48469   -92.64081
    4     1 S   H    _H2_     4     1.02949    77.14682    11.28057
    5     1 S   CT   _CA1     5     1.50115   120.99804   117.57775
    6     5 S   HC   _HA1     6     1.09575   105.18470    90.77351
    7     5 S   CO3  _C1_     7     1.53768   112.42800   -29.45788
    8     7 S   O2Z  _O11     8     1.26372   115.01234   -43.72509
    9     7 S   O2Z  _O12     9     1.26233   114.93087   135.33519
   10     5 S   CT   _CB1    10     1.53064   107.41468  -151.27534
   11    10 S   HC   HB11    11     1.09838   109.33515   -49.75141
   12    10 S   HC   HB12    12     1.09812   110.47442    66.83650
   13    10 S   CT   _CG1    13     1.53015   112.63158  -170.70779
   14    13 S   HC   HG11    14     1.09576   110.69069   -66.49268
   15    13 S   HC   HG12    15     1.09670   109.74381    52.76011
   16    13 S   C    _CD1    16     1.51807   112.06882   173.21251
   17    16 S   O    _OE1    17     1.22750   123.21303     9.75967
   18    16 S   N    _N2_    18     1.38653   111.78817  -170.27494
   19    18 S   H    _HN2    19     1.01580   118.99389     1.33750
   20    18 S   CT1  _CA2    20     1.46221   123.33787   176.91276
   21    20 S   HC   _HA2    21     1.09740   109.29060     5.63416
   22    20 S   C    _C2_    22     1.53636   108.84981  -109.84577
   23    22 S   O    _O2_    23     1.23074   122.24923  -149.26127
   24    20 S   CT   _CB2    32     1.53354   111.62473   127.59659
   25    24 S   HC   HB21    33     1.09497   109.90482    57.22620
   26    24 S   HC   HB22    34     1.09498   109.80164   176.13330
   27    22 S   N    _N3_    24     1.38313   113.83118    38.25777
   28    27 S   H    _HN3    25     1.01558   119.60651    -3.31440
   29    24 S   S    _SG2    35     1.82950   111.30359   -64.39239
   30    27 S   CT   _CA3    26     1.45285   123.26211   177.13926
   31    30 S   HC   HA31    27     1.09548   107.51192   -64.74106
   32    30 S   HC   HA32    28     1.09555   107.99592    51.71523
   33    29 S   CT   _C19    36     1.86923   100.78429   173.61991
   34    30 S   CO3  _C3_    29     1.52967   114.04375   173.71166
   35    34 S   O2Z  _O31    30     1.26382   116.06929    -0.57709
   36    34 S   O2Z  _O32    31     1.26423   114.42059   179.48338
   37    33 S   CM   _C11    37     1.51058   107.79370   -80.22558
   38    37 S   HC   _H32    38     1.08974   117.05134    38.91511
   39    33 S   OS   _O23    68     1.44579   109.33849    34.79552
   40    37 S   CMA  _C13    39     1.35127   125.72455  -142.40243
   41    40 S   OM   _O22    40     1.26053   128.23493   179.52112
   42    40 S   CM   _C12    41     1.48304   118.32683    -1.73144
   43    42 S   CM   _C10    42     1.34984   120.03774    11.19691
   44    43 S   HC   _H31    43     1.08850   119.15977   177.45509
   45    42 S   CT   _C24    78     1.52733   122.40924  -171.10082
   46    45 S   HC   _H50    79     1.09927   109.62974  -155.55947
   47    45 S   HC   _H51    80     1.09675   111.40019   -40.99086
   48    33 S   CT   _C18    44     1.56072   113.08205   153.58494
   49    45 S   CM   _C15    81     1.50402   112.53554    82.34830
   50    49 S   HC   _H35    82     1.08718   117.37973   -64.66856
   51    48 S   CT   _C17    45     1.54726   102.10860   -97.00552
   52    51 S   HC   _H37    46     1.09713   111.02856  -151.38928
   53    48 S   OS   _O26    73     1.43569   116.10832    21.00178
   54    49 S   CM   _C14    83     1.33838   123.98600   116.10038
   55    54 S   HC   _H33    84     1.08444   120.47864   179.63363
   56    54 S   HC   _H34    85     1.08429   121.60673    -0.66293
   57    51 S   CT   _C16    47     1.53560   103.83560   -30.45855
   58    57 S   HC   _H36    48     1.09735   111.16122   143.09775
   59    51 S   CT   _C20    69     1.53639   114.71264    89.83804
   60    59 S   HC   _H38    70     1.09249   112.64754   -60.34040
   61    59 S   HC   _H39    71     1.09601   109.97981  -179.92598
   62    59 S   HC   _H40    72     1.09465   111.21495    61.60440
   63    53 S   CT   _C23    74     1.42283   117.17496    73.45110
   64    63 S   HC   _H47    75     1.09379   107.79776  -167.90509
   65    63 S   HC   _H48    76     1.09379   110.55107    74.76930
   66    63 S   HC   _H49    77     1.09208   112.46070   -48.71270
   67    57 S   CA   _C7_    49     1.52043   115.38806   -96.46840
   68    67 S   CA   _C4_    50     1.39962   122.06076   126.93025
   69    68 S   HA   _H28    51     1.08715   120.94233    -1.80645
   70    68 S   CA   _C5_    52     1.39733   121.04422   178.24453
   71    70 S   HA   _H29    53     1.08553   117.50602   179.48604
   72    70 S   CA   _C8_    54     1.39673   120.48257    -0.30964
   73    72 S   CA   _C9_    55     1.40583   119.36243    -0.47642
   74    72 S   OS   _O24    63     1.37320   124.61142   179.59944
   75    67 S   CA   _C6_    56     1.40565   119.71236   -56.33599
   76    75 S   HA   _H30    57     1.08632   118.08561     0.77582
   77    73 S   OS   _O25    58     1.37387   115.82817  -179.52853
   78    74 S   CT   _C21    64     1.42227   117.25224    -0.61262
   79    78 S   HC   _H41    65     1.09428   107.73033  -179.49759
   80    78 S   HC   _H42    66     1.09493   111.12054    62.80780
   81    78 S   HC   _H43    67     1.09493   111.20043   -61.77446
   82    77 S   CT   _C22    59     1.42204   117.37972  -177.19090
   83    82 S   HC   _H44    60     1.09429   107.73403   177.88391
   84    82 S   HC   _H45    61     1.09505   111.22650    60.13934
   85    82 S   HC   _H46    62     1.09486   111.07221   -64.47068
  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  10   5   4   3
  17   2   1   1  11   5  12   9   3  11  12   4   8   4   3  14
   4   3  12   8   6   2   1   1  12   4   4   2   1   1   3   2
   1   1   9   8   4   7   3  10   9   6   3   1   4   3   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    43    48    51    57    39    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    42    43    44    48    51    52    57    58    67    39    59    53    63  
   35    36  
   36  
    0  
   38    40    41    42    43    48    51    57    39    53    45  
   40    41    42    48    39  
   59    53    40    43    48    51    52    57    58    67    68    75  
   41    42    43    44    48    45    46    47    49  
   42    43    45  
   43    44    48    51    53    45    46    47    49    50    54  
   44    48    51    52    57    59    53    63    45    46    47    49  
   48    51    53    45  
   46    47    49    50    54    55    56    48  
   47    49    50    54  
   49    50    54  
   51    52    57    58    67    59    60    61    62    53    63    64    65    66  
   50    54    55    56  
   54    55    56  
   52    57    58    67    68    75    59    60    61    62    53    63  
   57    58    67    59    60    61    62    53  
   63    64    65    66    57    59  
   55    56  
   56  
    0  
   58    67    68    69    70    73    75    76    59    60    61    62  
   67    68    75    59  
   60    61    62    67  
   61    62  
   62  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    75    76    77  
   69    70    71    72    73    75    76    74  
   70    71    72    75  
   71    72    73    75    77    74    78  
   72    73    74  
   73    75    76    77    82    74    78    79    80    81  
   75    76    77    82    83    84    85    74    78  
   78    79    80    81    75    77  
   76    77    82  
   77  
   82    83    84    85  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   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   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    48   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   549.000  1.340
   42    45   317.000  1.510
   43    44   340.000  1.080
   43    48   317.000  1.510
   48    51   268.000  1.529
   48    53   320.000  1.410
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    59   268.000  1.529
   57    58   340.000  1.090
   57    67   317.000  1.510
   57    39   320.000  1.410
   67    68   469.000  1.400
   67    75   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    74   450.000  1.364
   73    75   469.000  1.400
   73    77   450.000  1.364
   75    76   367.000  1.080
   77    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   74    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   53    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   317.000  1.510
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    56   340.000  1.080
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    48    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    48    43    70.00000  112.02700
   33    48    51    58.35000  112.70000
   33    48    53    50.00000  109.50000
   33    39    57    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    42    70.00000  123.01800
   40    37    38    40.00000  120.50800
   40    42    43    70.00000  117.34000
   40    42    45    70.00000  124.00000
   42    40    41    65.00000  137.10300
   42    43    44    35.00000  120.00000
   42    43    48    70.00000  124.00000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    49    70.00000  110.12100
   43    48    51    70.00000  112.02700
   43    48    53    85.00000  110.90400
   48    33    37    70.00000  112.02700
   48    43    44    35.00000  117.00000
   48    51    52    37.50000  110.70000
   48    51    57    58.35000  112.70000
   48    51    59    58.35000  112.70000
   48    53    63    60.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    67    70.00000  112.17500
   51    57    39    50.00000  109.50000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   57    51    52    37.50000  110.70000
   57    67    68    70.00000  120.00000
   57    67    75    70.00000  120.00000
   67    57    58    35.00000  109.50000
   67    68    69    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    75    73    63.00000  120.00000
   67    75    76    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    74    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    73    77    70.00000  120.00000
   72    74    78    75.00000  111.00000
   73    75    76    35.00000  120.00000
   73    77    82    75.00000  111.00000
   75    67    68    63.00000  120.00000
   77    73    75    70.00000  120.00000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   74    72    73    70.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   39    33    37    85.00000  110.90400
   39    33    48    50.00000  109.50000
   39    57    58    35.00000  109.50000
   39    57    67    85.00000  111.85700
   59    51    52    37.50000  110.70000
   59    51    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   53    48    51    50.00000  109.50000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   45    42    43    70.00000  124.00000
   45    49    50    35.00000  117.00000
   45    49    54    70.00000  124.00000
   47    45    46    33.00000  107.80000
   49    45    46    35.00000  109.50000
   49    45    47    35.00000  109.50000
   49    54    55    35.00000  120.00000
   49    54    56    35.00000  120.00000
   54    49    50    35.00000  120.00000
   56    54    55    35.00000  117.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   29    33    48    53   0.56750  1.0 1.0
   29    33    48    53  -0.07550 -1.0 2.0
   29    33    48    53   0.20000  1.0 3.0
   29    33    39    57   0.14700  1.0 1.0
   29    33    39    57  -1.16150 -1.0 2.0
   29    33    39    57   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    48    51    52   0.15000  1.0 3.0
   33    48   -51    57   0.56750  1.0 1.0
   33    48   -51    57  -0.07550 -1.0 2.0
   33    48   -51    57   0.20000  1.0 3.0
   33    48    51    59   0.56750  1.0 1.0
   33    48    51    59  -0.07550 -1.0 2.0
   33    48    51    59   0.20000  1.0 3.0
   33    48    53    63   0.06250  1.0 1.0
   33    48    53    63  -0.01100 -1.0 2.0
   33    48    53    63   0.28050  1.0 3.0
   37    33    48    43   0.31000  1.0 1.0
   37    33    48    43   0.14700 -1.0 2.0
   37    33    48    43   0.07550  1.0 3.0
   37    33    48    51   0.34400  1.0 1.0
   37    33    48    51   0.09450 -1.0 2.0
   37    33    48    51   0.11100  1.0 3.0
   37    33    48    53   0.61850  1.0 1.0
   37    33    48    53  -0.22750 -1.0 2.0
   37    33    48    53   0.15300  1.0 3.0
   37    33    39    57  -0.77900  1.0 1.0
   37    33    39    57  -0.36900 -1.0 2.0
   37    33    39    57   0.40400  1.0 3.0
   37    40   -42    43   7.00000 -1.0 2.0
   37    40    42    45   7.00000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    42   7.00000 -1.0 2.0
   40    42    43    44   7.00000 -1.0 2.0
   40    42    43    48   7.00000 -1.0 2.0
   40    42    45    46   0.00000  1.0 1.0
   40    42    45    47   0.00000  1.0 1.0
   40    42    45    49  -0.28300  1.0 1.0
   40    42    45    49   0.26700 -1.0 2.0
   40    42    45    49  -0.63300  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    45   7.00000 -1.0 2.0
   42    43   -48    33   0.09850  1.0 1.0
   42    43   -48    33   0.15250 -1.0 2.0
   42    43   -48    33  -0.50650  1.0 3.0
   42    43    48    51   0.09850  1.0 1.0
   42    43    48    51   0.15250 -1.0 2.0
   42    43    48    51  -0.50650  1.0 3.0
   42    43    48    53   0.39000  1.0 1.0
   42    43    48    53  -0.05800 -1.0 2.0
   42    43    48    53  -0.55150  1.0 3.0
   42    45    49    50   0.00000  1.0 1.0
   42    45    49    54  -0.28300  1.0 1.0
   42    45    49    54   0.26700 -1.0 2.0
   42    45    49    54  -0.63300  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    49  -0.28300  1.0 1.0
   43    42    45    49   0.26700 -1.0 2.0
   43    42    45    49  -0.63300  1.0 3.0
   43    48    51    52   0.15000  1.0 3.0
   43    48    51    57   0.34400  1.0 1.0
   43    48    51    57   0.09450 -1.0 2.0
   43    48    51    57   0.11100  1.0 3.0
   43    48    51    59   0.34400  1.0 1.0
   43    48    51    59   0.09450 -1.0 2.0
   43    48    51    59   0.11100  1.0 3.0
   43    48    53    63  -0.77900  1.0 1.0
   43    48    53    63  -0.36900 -1.0 2.0
   43    48    53    63   0.40400  1.0 3.0
   44    43    48    33   0.00000  1.0 1.0
   44    43    48    51   0.00000  1.0 1.0
   44    43    48    53   0.00000  1.0 1.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    40   0.09850  1.0 1.0
   48    33   -37    40   0.15250 -1.0 2.0
   48    33   -37    40  -0.50650  1.0 3.0
   48    33   -39    57   0.06250  1.0 1.0
   48    33   -39    57  -0.01100 -1.0 2.0
   48    33   -39    57   0.28050  1.0 3.0
   48    51    57    58   0.15000  1.0 3.0
   48    51    57    67  -0.03700  1.0 1.0
   48    51    57    67   0.37200 -1.0 2.0
   48    51    57    67  -0.47300  1.0 3.0
   48    51   -57    39   0.62750  1.0 1.0
   48    51   -57    39  -0.30950 -1.0 2.0
   48    51   -57    39   0.27300  1.0 3.0
   48    51    59    60   0.15000  1.0 3.0
   48    51    59    61   0.15000  1.0 3.0
   48    51    59    62   0.15000  1.0 3.0
   48    53    63    64   0.37050  1.0 3.0
   48    53    63    65   0.37050  1.0 3.0
   48    53    63    66   0.37050  1.0 3.0
   51    48    53    63   0.06250  1.0 1.0
   51    48    53    63  -0.01100 -1.0 2.0
   51    48    53    63   0.28050  1.0 3.0
   51    57    67    68   0.04150 -1.0 2.0
   51    57    67    75   0.04150 -1.0 2.0
   51    57   -39    33   0.06250  1.0 1.0
   51    57   -39    33  -0.01100 -1.0 2.0
   51    57   -39    33   0.28050  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    67   0.43200  1.0 3.0
   52    51    57    39   0.23400  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   57    51    59    60   0.15000  1.0 3.0
   57    51    59    61   0.15000  1.0 3.0
   57    51    59    62   0.15000  1.0 3.0
   57    67    68    69   3.62500 -1.0 2.0
   57    67    68    70   3.62500 -1.0 2.0
   57    67    75    73   3.62500 -1.0 2.0
   57    67    75    76   3.62500 -1.0 2.0
   58    57    67    68   0.00000  1.0 1.0
   58    57    67    75   0.00000  1.0 1.0
   58    57    39    33   0.37050  1.0 3.0
   67    57    39    33   0.37500  1.0 3.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    70    72   3.62500 -1.0 2.0
   68    67    75    73   3.62500 -1.0 2.0
   68    67    75    76   3.62500 -1.0 2.0
   68    70   -72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    75   3.62500 -1.0 2.0
   70    72    73    77   3.62500 -1.0 2.0
   70    72    74    78   1.63200 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    73   -75    67   3.62500 -1.0 2.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    77    82   1.63200 -1.0 2.0
   72    74    78    79   0.08050  1.0 3.0
   72    74    78    80   0.08050  1.0 3.0
   72    74    78    81   0.08050  1.0 3.0
   73    72    74    78   1.63200 -1.0 2.0
   73    77    82    83   0.08050  1.0 3.0
   73    77    82    84   0.08050  1.0 3.0
   73    77    82    85   0.08050  1.0 3.0
   75    67    68    69   3.62500 -1.0 2.0
   75    67   -68    70   3.62500 -1.0 2.0
   75    73    77    82   1.63200 -1.0 2.0
   77    73    75    67   3.62500 -1.0 2.0
   77    73    75    76   3.62500 -1.0 2.0
   74    72    73    75   3.62500 -1.0 2.0
   74    72    73    77   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    48    43   0.61850  1.0 1.0
   39    33    48    43  -0.22750 -1.0 2.0
   39    33    48    43   0.15300  1.0 3.0
   39    33   -48    51   0.62750  1.0 1.0
   39    33   -48    51  -0.30950 -1.0 2.0
   39    33   -48    51   0.27300  1.0 3.0
   39    33    48    53   1.11900  1.0 1.0
   39    33    48    53  -1.16350 -1.0 2.0
   39    33    48    53  -0.34150  1.0 3.0
   39    57    67    68   0.64500  1.0 1.0
   39    57    67    68   0.14800 -1.0 2.0
   39    57    67    68   0.20650  1.0 3.0
   39    57    67    75   0.64500  1.0 1.0
   39    57    67    75   0.14800 -1.0 2.0
   39    57    67    75   0.20650  1.0 3.0
   59    51    57    58   0.15000  1.0 3.0
   59    51    57    67  -0.03700  1.0 1.0
   59    51    57    67   0.37200 -1.0 2.0
   59    51    57    67  -0.47300  1.0 3.0
   59    51    57    39   0.62750  1.0 1.0
   59    51    57    39  -0.30950 -1.0 2.0
   59    51    57    39   0.27300  1.0 3.0
   53    48    51    52   0.23400  1.0 3.0
   53    48    51    57   0.62750  1.0 1.0
   53    48    51    57  -0.30950 -1.0 2.0
   53    48    51    57   0.27300  1.0 3.0
   53    48    51    59   0.62750  1.0 1.0
   53    48    51    59  -0.30950 -1.0 2.0
   53    48    51    59   0.27300  1.0 3.0
   45    42    43    44   7.00000 -1.0 2.0
   45    42    43    48   7.00000 -1.0 2.0
   45    49    54    55   7.00000 -1.0 2.0
   45    49    54    56   7.00000 -1.0 2.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    54   0.00000  1.0 1.0
   47    45    49    50   0.33100  1.0 3.0
   47    45    49    54   0.00000  1.0 1.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    56   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   42    41    40    37   1.10000 -1.0 2.0
   40    45    42    43   1.10000 -1.0 2.0
   48    44    43    42   1.10000 -1.0 2.0
   68    75    67    57   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    74    72    70   4.00000 -1.0 2.0
   75    77    73    72   4.00000 -1.0 2.0
   73    76    75    67   1.10000 -1.0 2.0
   45    50    49    54  15.00000 -1.0 2.0
   55    56    54    49  15.00000 -1.0 2.0
END
