* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    150    243     446
    1     0 S   NP   _N1_     1    28.98252    94.63019   -26.18561
    2     1 S   H    _HN1     2     1.02949    80.12005     9.88278
    3     1 S   H    _H1_     3     1.02827    27.36493  -160.33438
    4     1 S   H    _H2_     4     1.02794   122.23777   -95.69304
    5     1 S   CT   _CA1     5     1.50133   117.64227   117.83605
    6     5 S   HC   _HA1     6     1.09576   105.15995    88.32954
    7     5 S   CO3  _C1_     7     1.53772   112.46763   -31.84666
    8     7 S   O2Z  _O11     8     1.26375   115.00230   -42.29790
    9     7 S   O2Z  _O12     9     1.26241   114.94494   136.71048
   10     5 S   CT   _CB1    10     1.53062   107.39903  -153.72856
   11    10 S   HC   HB11    11     1.09839   109.30168   -49.63187
   12    10 S   HC   HB12    12     1.09811   110.48219    66.95939
   13    10 S   CT   _CG1    13     1.53010   112.64334  -170.59069
   14    13 S   HC   HG11    14     1.09575   110.68409   -67.30086
   15    13 S   HC   HG12    15     1.09672   109.73096    51.94083
   16    13 S   C    _CD1    16     1.51814   112.08547   172.36827
   17    16 S   O    _OE1    17     1.22749   123.20620    10.07480
   18    16 S   N    _N2_    18     1.38637   111.75752  -169.72984
   19    18 S   H    _HN2    19     1.01561   119.01492     1.04436
   20    18 S   CT1  _CA2    20     1.46258   123.47546   177.20516
   21    20 S   HC   _HA2    21     1.09743   109.24262     8.89601
   22    20 S   C    _C2_    22     1.53732   109.03339  -106.65284
   23    22 S   O    _O2_    23     1.23099   122.25893  -149.73828
   24    20 S   CT   _CB2    32     1.53429   111.56112   130.86077
   25    24 S   HC   HB21    33     1.09549   109.65817    56.29679
   26    24 S   HC   HB22    34     1.09270   109.70588   174.89946
   27    22 S   N    _N3_    24     1.38320   113.95486    37.79524
   28    27 S   H    _HN3    25     1.01530   119.61995    -3.13025
   29    24 S   S    _SG2    35     1.83294   111.08668   -64.56067
   30    27 S   CT   _CA3    26     1.45275   123.26306   177.22343
   31    30 S   HC   HA31    27     1.09549   107.50807   -64.93086
   32    30 S   HC   HA32    28     1.09557   107.99952    51.52150
   33    29 S   CT   _C23    36     1.88321   101.75290  -174.63027
   34    33 S   OM   _O38    37     1.32360   108.05383   -57.59298
   35    30 S   CO3  _C3_    29     1.52968   114.06502   173.53398
   36    35 S   O2Z  _O31    30     1.26380   116.09663    -0.23656
   37    35 S   O2Z  _O32    31     1.26429   114.41071   179.81443
   38    33 S   CM   _C6_    38     1.53907   107.63305  -174.07103
   39    33 S   CT   _C22    68     1.57865   111.52414    61.53849
   40    39 S   HC   _H4_    69     1.10120   109.92643   -88.34766
   41    38 S   CMA  _C7_    39     1.36305   127.36027  -125.35421
   42    41 S   OM   _O41    40     1.26687   130.04626   178.83568
   43    39 S   OS   _O39    70     1.44420   109.87548    29.44623
   44    38 S   CO4  _C5_    77     1.51013   118.49440    54.72990
   45    44 S   O    _O33    78     1.23069   121.13673   -93.45928
   46    41 S   CT   _C8_    41     1.54241   117.95372    -0.46267
   47    43 S   CT   _C24    71     1.42075   114.15996  -154.22253
   48    47 S   HC   _H16    72     1.09347   108.03220   176.70943
   49    47 S   HC   _H17    73     1.09398   110.74762    58.28170
   50    47 S   HC   _H18    74     1.09235   111.42347   -64.64807
   51    44 S   CT   _C4_    79     1.50737   117.43214    86.06412
   52    51 S   HC   _H5_    80     1.09363   108.99047   132.60463
   53    51 S   HC   _H6_    81     1.09348   111.26546    13.78421
   54    51 S   HC   _H7_    82     1.09278   109.42388  -107.18326
   55    46 S   CO4  _C21    42     1.55145   115.87731  -151.74825
   56    55 S   O    _O34    43     1.23202   121.79497   -89.44779
   57    46 S   OH   _O40    75     1.44208   107.28172    94.46131
   58    57 S   HO   _H19    76     0.97375   106.43247    48.98550
   59    55 S   CA   _C20    44     1.49335   119.31434    90.74962
   60    59 S   CA   _C11    45     1.39534   118.96709    11.43718
   61    59 S   CA   _C19    56     1.41261   121.67985  -169.86880
   62    60 S   CA   _C12    46     1.40263   119.20041   179.78330
   63    62 S   HA   _H10    47     1.09037   118.48283   178.68032
   64    61 S   OH   _O35    57     1.37579   120.73876     1.48015
   65    64 S   HO   _H13    58     0.97308   109.41731    -0.30710
   66    60 S   CT   _C10    63     1.50414   122.56532    -3.49872
   67    66 S   HC   _H8_    64     1.09754   109.49829   144.98661
   68    66 S   HC   _H9_    65     1.09359   106.09007   -99.38911
   69    62 S   CA   _C13    48     1.40209   122.05481    -1.17170
   70    46 S   CT   _C9_    66     1.54066   113.65528   -25.35506
   71    70 S   HC   _H3_    67     1.09879   107.18606   170.47643
   72    69 S   CA   _C14    49     1.40566   119.41053  -179.57942
   73    72 S   HA   _H11    50     1.08837   119.98303     0.04423
   74    72 S   CA   _C15    51     1.39081   120.59266  -180.00000
   75    74 S   CA   _C16    52     1.38482   120.54254     0.02798
   76    75 S   HA   _H12    53     1.08628   119.83106  -179.97202
   77    74 S   OH   _O37    61     1.36581   121.18938  -179.96044
   78    77 S   HO   _H15    62     0.97240   108.72142    -0.03426
   79    75 S   CA   _C17    54     1.39798   119.24526     0.04846
   80    69 S   CA   _C18    55     1.41575   120.00836     0.56058
   81    79 S   OH   _O36    59     1.37314   117.86550  -180.00000
   82    81 S   HO   _H14    60     0.97170   109.27377    -0.29674
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  15  17   6  13   5   8   6   4  12   4   2
   1   1   3   2   1   1  12   5   5   1  13  12  10  11   4   4
   1   5   3   2   8   1   1   8   4   7   7   4   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    70    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    66    70    71    39    40    43    47    44    45    51  
   38    41    70    39    40    43    44  
   36    37  
   37  
    0  
   41    42    46    55    70    39    40    43    57    44    45    51    52    53    54  
   40    43    47    48    49    50    57    44    41    46    55    60    66    67    68    70    71  
   43    47    46    66    70    71  
   42    46    55    56    59    66    70    71    57    58    44    45    51  
   46    55    70    57    44  
   47    48    49    50    46    66    70    71  
   45    51    52    53    54    46  
   51    52    53    54  
   55    56    59    60    61    66    67    68    70    71    57    58  
   48    49    50    70  
   49    50  
   50  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    59    60    62    80    61    64    66    70    71    57    58  
   59    60    61    70    57  
   58    59    66    70    71  
   70  
   60    62    63    69    79    80    61    64    65    66    67    68    70  
   62    63    69    72    80    61    64    66    67    68    70    71  
   64    65    81    66    62    69    72    75    79    80  
   63    69    72    73    74    79    80    66    67    68    70  
   69    72    80    66  
   65    69    79    80  
   80  
   67    68    70    71    69  
   68    70    71  
   70    71  
   72    73    74    75    79    80    81    77  
   71  
    0  
   73    74    75    76    79    80    77    78  
   74    75    80    77  
   75    76    79    80    81    77    78  
   76    79    80    81    82    77    78  
   79    80    81    77  
   78    79  
    0  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    44   320.000  1.462
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    55   317.000  1.522
   46    70   268.000  1.529
   46    57   320.000  1.410
   55    56   570.000  1.229
   55    59   310.000  1.470
   59    60   469.000  1.400
   59    61   469.000  1.400
   60    62   469.000  1.400
   60    66   317.000  1.510
   62    63   367.000  1.080
   62    69   469.000  1.400
   69    72   469.000  1.400
   69    80   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   469.000  1.400
   79    81   450.000  1.364
   80    61   469.000  1.400
   61    64   450.000  1.364
   64    65   553.000  0.945
   81    82   553.000  0.945
   77    78   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   268.000  1.529
   70    71   340.000  1.090
   70    39   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   57    58   553.000  0.945
   44    45   570.000  1.229
   44    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    44    65.00000  116.34900
   33    39    70    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    46    65.00000  122.18000
   38    44    45    80.00000  123.72100
   38    44    51    65.00000  118.62400
   41    46    55    70.00000  109.06800
   41    46    70    70.00000  112.02700
   41    46    57    90.00000  110.39200
   46    41    42    85.00000  112.85300
   46    55    56    80.00000  120.40000
   46    55    59    65.00000  115.47100
   46    70    66    58.35000  112.70000
   46    70    71    37.50000  110.70000
   46    70    39    58.35000  112.70000
   46    57    58    55.00000  108.50000
   55    59    60    60.00000  119.52600
   55    59    61    60.00000  119.52600
   59    55    56    75.00000  123.78400
   59    60    62    63.00000  120.00000
   59    60    66    70.00000  120.00000
   59    61    80    63.00000  120.00000
   59    61    64    70.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    69    63.00000  120.00000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    70    70.00000  112.17500
   62    69    72    63.00000  120.00000
   62    69    80    63.00000  120.00000
   69    62    63    35.00000  120.00000
   69    72    73    35.00000  120.00000
   69    72    74    63.00000  120.00000
   69    80    79    63.00000  120.00000
   69    80    61    63.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    77    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    35.00000  113.00000
   75    79    80    63.00000  120.00000
   75    79    81    70.00000  120.00000
   79    75    76    35.00000  120.00000
   79    80    61    63.00000  120.00000
   79    81    82    35.00000  113.00000
   80    69    72    63.00000  120.00000
   80    61    64    70.00000  120.00000
   61    59    60    63.00000  120.00000
   61    64    65    35.00000  113.00000
   81    79    80    70.00000  120.00000
   77    74    75    70.00000  120.00000
   66    60    62    70.00000  120.00000
   66    70    71    37.50000  110.70000
   66    70    39    58.35000  112.70000
   68    66    67    33.00000  107.80000
   70    46    55    63.00000  111.10000
   70    66    67    37.50000  110.70000
   70    66    68    37.50000  110.70000
   70    39    40    37.50000  110.70000
   70    39    43    50.00000  109.50000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    70    71    37.50000  110.70000
   39    43    47    60.00000  109.50000
   43    39    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   57    46    55    90.00000  109.61100
   57    46    70    50.00000  109.50000
   44    38    41    60.00000  125.92000
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    54    35.00000  109.50000
   51    44    45    80.00000  120.40000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    44   0.09700  1.0 1.0
   29    33    38    44   0.15600 -1.0 2.0
   29    33    38    44  -0.50800  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    46   7.00000 -1.0 2.0
   33    38    44    45  -0.64400  1.0 1.0
   33    38    44    45   0.26850 -1.0 2.0
   33    38    44    51   0.25700  1.0 1.0
   33    38    44    51   0.66200 -1.0 2.0
   33    38    44    51   0.04450  1.0 3.0
   33    39    43    47   0.06250  1.0 1.0
   33    39    43    47  -0.01100 -1.0 2.0
   33    39    43    47   0.28050  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    44   0.09700  1.0 1.0
   34    33    38    44   0.15600 -1.0 2.0
   34    33    38    44  -0.50800  1.0 3.0
   34    33    39    70   0.62750  1.0 1.0
   34    33    39    70  -0.30950 -1.0 2.0
   34    33    39    70   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.11900  1.0 1.0
   34    33    39    43  -1.16350 -1.0 2.0
   34    33    39    43  -0.34150  1.0 3.0
   38    33    39    70   0.34400  1.0 1.0
   38    33    39    70   0.09450 -1.0 2.0
   38    33    39    70   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.61850  1.0 1.0
   38    33    39    43  -0.22750 -1.0 2.0
   38    33    39    43   0.15300  1.0 3.0
   38    41    46    55  -0.51250  1.0 1.0
   38    41    46    55  -0.88800 -1.0 2.0
   38    41    46    55   0.08850  1.0 3.0
   38    41   -46    70   0.09850  1.0 1.0
   38    41   -46    70   0.15250 -1.0 2.0
   38    41   -46    70  -0.50650  1.0 3.0
   38    41    46    57   0.67800  1.0 1.0
   38    41    46    57   0.47050 -1.0 2.0
   38    41    46    57  -0.62500  1.0 3.0
   38    44    51    52   0.00000  1.0 1.0
   38    44    51    53   0.00000  1.0 1.0
   38    44    51    54   0.00000  1.0 1.0
   41    38    44    45   1.00000 -1.0 2.0
   41    38    44    51  -0.33500  1.0 1.0
   41    38    44    51   1.06600 -1.0 2.0
   41    38    44    51  -0.14000  1.0 3.0
   41    46    55    56   0.30150 -1.0 2.0
   41    46    55    59   0.65300  1.0 1.0
   41    46    55    59  -0.03850 -1.0 2.0
   41    46    55    59   0.33900  1.0 3.0
   41    46    70    66   0.34400  1.0 1.0
   41    46    70    66   0.09450 -1.0 2.0
   41    46    70    66   0.11100  1.0 3.0
   41    46    70    71   0.15000  1.0 3.0
   41    46    70    39   0.34400  1.0 1.0
   41    46    70    39   0.09450 -1.0 2.0
   41    46    70    39   0.11100  1.0 3.0
   41    46    57    58  -0.07800  1.0 1.0
   41    46    57    58  -0.21500 -1.0 2.0
   41    46    57    58  -0.03150  1.0 3.0
   42    41    46    55   0.09700  1.0 1.0
   42    41    46    55   0.15600 -1.0 2.0
   42    41    46    55  -0.50800  1.0 3.0
   42    41    46    70   0.09700  1.0 1.0
   42    41    46    70   0.15600 -1.0 2.0
   42    41    46    70  -0.50800  1.0 3.0
   42    41    46    57   0.09700  1.0 1.0
   42    41    46    57   0.15600 -1.0 2.0
   42    41    46    57  -0.50800  1.0 3.0
   46    55    59    60   2.26350  1.0 1.0
   46    55    59    60   0.76750 -1.0 2.0
   46    55    59    60   0.22500  1.0 3.0
   46    55    59    61   2.26350  1.0 1.0
   46    55    59    61   0.76750 -1.0 2.0
   46    55    59    61   0.22500  1.0 3.0
   46    70   -39    33   0.56750  1.0 1.0
   46    70   -39    33  -0.07550 -1.0 2.0
   46    70   -39    33   0.20000  1.0 3.0
   46    70    39    40   0.15000  1.0 3.0
   46    70    39    43   0.62750  1.0 1.0
   46    70    39    43  -0.30950 -1.0 2.0
   46    70    39    43   0.27300  1.0 3.0
   55    46    70    66  -0.95700  1.0 1.0
   55    46    70    66  -0.18200 -1.0 2.0
   55    46    70    66   0.29450  1.0 3.0
   55    46    70    71  -0.11250  1.0 3.0
   55    46    70    39  -0.95700  1.0 1.0
   55    46    70    39  -0.18200 -1.0 2.0
   55    46    70    39   0.29450  1.0 3.0
   55    46    57    58   0.91850  1.0 1.0
   55    46    57    58   0.57950  1.0 3.0
   55    59    60    62   3.62500 -1.0 2.0
   55    59   -60    66   3.62500 -1.0 2.0
   55    59    61    80   3.62500 -1.0 2.0
   55    59    61    64   3.62500 -1.0 2.0
   56    55    59    60   1.05000 -1.0 2.0
   56    55    59    61   1.05000 -1.0 2.0
   59    60    62    63   3.62500 -1.0 2.0
   59    60    62    69   3.62500 -1.0 2.0
   59    60    66    67   0.00000  1.0 1.0
   59    60    66    68   0.00000  1.0 1.0
   59    60    66    70   0.04150 -1.0 2.0
   59    61    64    65   0.84100 -1.0 2.0
   60    59    61    80   3.62500 -1.0 2.0
   60    59    61    64   3.62500 -1.0 2.0
   60    62    69    72   3.62500 -1.0 2.0
   60    62   -69    80   3.62500 -1.0 2.0
   60    66   -70    46  -0.03700  1.0 1.0
   60    66   -70    46   0.37200 -1.0 2.0
   60    66   -70    46  -0.47300  1.0 3.0
   60    66    70    71   0.43200  1.0 3.0
   60    66    70    39  -0.03700  1.0 1.0
   60    66    70    39   0.37200 -1.0 2.0
   60    66    70    39  -0.47300  1.0 3.0
   62    60    66    67   0.00000  1.0 1.0
   62    60    66    68   0.00000  1.0 1.0
   62    60    66    70   0.04150 -1.0 2.0
   62    69    72    73   3.62500 -1.0 2.0
   62    69    72    74   3.62500 -1.0 2.0
   62    69    80    79   3.62500 -1.0 2.0
   62    69    80    61   3.62500 -1.0 2.0
   63    62    69    72   3.62500 -1.0 2.0
   63    62    69    80   3.62500 -1.0 2.0
   69    72    74    75   3.62500 -1.0 2.0
   69    72    74    77   3.62500 -1.0 2.0
   69    80   -61    59   3.62500 -1.0 2.0
   69    80    61    64   3.62500 -1.0 2.0
   72    69    80    79   3.62500 -1.0 2.0
   72    69    80    61   3.62500 -1.0 2.0
   72    74    75    76   3.62500 -1.0 2.0
   72    74   -75    79   3.62500 -1.0 2.0
   72    74    77    78   0.84100 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    77   3.62500 -1.0 2.0
   74    75    79    80   3.62500 -1.0 2.0
   74    75    79    81   3.62500 -1.0 2.0
   75    74    77    78   0.84100 -1.0 2.0
   75    79   -80    69   3.62500 -1.0 2.0
   75    79    80    61   3.62500 -1.0 2.0
   75    79    81    82   0.84100 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    81   3.62500 -1.0 2.0
   79    80    61    59   3.62500 -1.0 2.0
   79    80    61    64   3.62500 -1.0 2.0
   80    69    72    73   3.62500 -1.0 2.0
   80    69   -72    74   3.62500 -1.0 2.0
   80    79    81    82   0.84100 -1.0 2.0
   80    61    64    65   0.84100 -1.0 2.0
   61    59   -60    62   3.62500 -1.0 2.0
   61    59    60    66   3.62500 -1.0 2.0
   81    79    80    69   3.62500 -1.0 2.0
   81    79    80    61   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    79   3.62500 -1.0 2.0
   66    60    62    63   3.62500 -1.0 2.0
   66    60    62    69   3.62500 -1.0 2.0
   66    70    39    33   0.56750  1.0 1.0
   66    70    39    33  -0.07550 -1.0 2.0
   66    70    39    33   0.20000  1.0 3.0
   66    70    39    40   0.15000  1.0 3.0
   66    70    39    43   0.62750  1.0 1.0
   66    70    39    43  -0.30950 -1.0 2.0
   66    70    39    43   0.27300  1.0 3.0
   67    66    70    46   0.15000  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    39   0.15000  1.0 3.0
   68    66    70    46   0.15000  1.0 3.0
   68    66    70    71   0.15000  1.0 3.0
   68    66    70    39   0.15000  1.0 3.0
   70    46    55    56   0.30150 -1.0 2.0
   70    46   -55    59   0.05850 -1.0 2.0
   70    46   -55    59   0.17250  1.0 3.0
   70    46    57    58  -0.11600  1.0 1.0
   70    46    57    58  -0.09450 -1.0 2.0
   70    46    57    58   0.21250  1.0 3.0
   70    39    43    47   0.06250  1.0 1.0
   70    39    43    47  -0.01100 -1.0 2.0
   70    39    43    47   0.28050  1.0 3.0
   71    70    39    33   0.15000  1.0 3.0
   71    70    39    40   0.15000  1.0 3.0
   71    70    39    43   0.23400  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    44   0.09700  1.0 1.0
   39    33    38    44   0.15600 -1.0 2.0
   39    33    38    44  -0.50800  1.0 3.0
   39    43    47    48   0.37050  1.0 3.0
   39    43    47    49   0.37050  1.0 3.0
   39    43    47    50   0.37050  1.0 3.0
   40    39    43    47   0.37050  1.0 3.0
   57    46    55    56   0.30150 -1.0 2.0
   57    46    55    59   0.65300  1.0 1.0
   57    46    55    59  -0.03850 -1.0 2.0
   57    46    55    59   0.33900  1.0 3.0
   57    46    70    66   0.86500  1.0 1.0
   57    46    70    66  -0.17500 -1.0 2.0
   57    46    70    66   0.20800  1.0 3.0
   57    46    70    71   0.23400  1.0 3.0
   57    46    70    39   0.86500  1.0 1.0
   57    46    70    39  -0.17500 -1.0 2.0
   57    46    70    39   0.20800  1.0 3.0
   44    38    41    42   7.00000 -1.0 2.0
   44    38    41    46   7.00000 -1.0 2.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   45    44    51    54   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
   36    30    35    37  10.50000 -1.0 2.0
   33    44    38    41   1.10000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   46    59    55    56  10.50000 -1.0 2.0
   60    61    59    55   4.00000 -1.0 2.0
   62    66    60    59   4.00000 -1.0 2.0
   69    63    62    60   1.10000 -1.0 2.0
   72    80    69    62   4.00000 -1.0 2.0
   74    73    72    69   1.10000 -1.0 2.0
   75    77    74    72   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   80    81    79    75   4.00000 -1.0 2.0
   79    61    80    69   4.00000 -1.0 2.0
   80    64    61    59   4.00000 -1.0 2.0
   38    51    44    45  10.50000 -1.0 2.0
END
