* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    151    249     452
    1     0 S   NP   _N1_     1    28.51956    96.09319   -21.99608
    2     1 S   H    _HN1     2     1.02961    78.41275    22.48734
    3     1 S   H    _H1_     3     1.02832    37.51987   161.75793
    4     1 S   H    _H2_     4     1.02776    95.10209   -85.22624
    5     1 S   CT   _CA1     5     1.50145   145.42394   131.63747
    6     5 S   HC   _HA1     6     1.09579   105.18114    78.17037
    7     5 S   CO3  _C1_     7     1.53761   112.42887   -41.91283
    8     7 S   O2Z  _O11     8     1.26358   114.98784   -42.12111
    9     7 S   O2Z  _O12     9     1.26241   114.92067   136.91756
   10     5 S   CT   _CB1    10     1.53087   107.39781  -163.98886
   11    10 S   HC   HB11    11     1.09827   109.19177   -50.94495
   12    10 S   HC   HB12    12     1.09816   110.45695    65.56306
   13    10 S   CT   _CG1    13     1.53022   112.75475  -172.07063
   14    13 S   HC   HG11    14     1.09593   110.46014   -66.36103
   15    13 S   HC   HG12    15     1.09663   109.93537    52.86511
   16    13 S   C    _CD1    16     1.51843   112.31757   173.10465
   17    16 S   O    _OE1    17     1.22736   123.26796     0.34264
   18    16 S   N    _N2_    18     1.38647   111.68717  -179.23383
   19    18 S   H    _HN2    19     1.01581   119.05468     0.57743
   20    18 S   CT1  _CA2    20     1.46135   123.36656   178.60450
   21    20 S   HC   _HA2    21     1.09752   109.32020    -1.61665
   22    20 S   C    _C2_    22     1.53526   108.85866  -117.03841
   23    22 S   O    _O2_    23     1.23056   122.11150  -147.72516
   24    20 S   CT   _CB2    32     1.53447   111.70806   120.22563
   25    24 S   HC   HB21    33     1.09567   109.78999    55.36505
   26    24 S   HC   HB22    34     1.09400   109.73648   174.14643
   27    22 S   N    _N3_    24     1.38466   113.63826    40.01162
   28    27 S   H    _HN3    25     1.01481   119.00438    -0.81685
   29    24 S   S    _SG2    35     1.83644   111.20947   -65.32296
   30    27 S   CT   _CA3    26     1.45435   123.34895   174.54346
   31    30 S   HC   HA31    27     1.09529   109.13609    27.05882
   32    30 S   HC   HA32    28     1.09491   107.17250   144.08207
   33    29 S   CT   _C18    36     1.88218   101.94935  -168.25806
   34    33 S   OM   _O37    37     1.32304   108.37415   -51.19373
   35    30 S   CO3  _C3_    29     1.52936   113.09106   -96.30999
   36    35 S   O2Z  _O31    30     1.26403   115.41110   -44.23274
   37    35 S   O2Z  _O32    31     1.26353   114.97879   136.63938
   38    33 S   CM   _C19    38     1.54114   108.49439  -167.70908
   39    33 S   CT   _C17    70     1.57112   111.70616    67.65556
   40    39 S   HC   _H4_    71     1.09906   111.80652   -85.21299
   41    38 S   CMA  _C20    39     1.36499   127.05149  -125.07257
   42    41 S   OM   _O35    40     1.26631   130.11279   178.07248
   43    39 S   NP   _N5_    72     1.50555   110.71945    29.97384
   44    43 S   H    _H16    73     1.02712   111.93578  -171.94514
   45    43 S   H    _H17    74     1.03080   110.60999    68.00795
   46    43 S   H    _H18    75     1.02727   111.21659   -50.83931
   47    38 S   C    _C23    78     1.50844   118.12272    54.93453
   48    47 S   O    _O36    79     1.22650   122.56151   -84.60785
   49    41 S   CT   _C21    41     1.53951   118.25488    -0.33630
   50    47 S   N    _N4_    80     1.37493   113.06200    96.23269
   51    50 S   H    _H14    81     1.01401   121.68733    -0.68700
   52    50 S   H    _H15    82     1.01254   120.60801   179.40752
   53    49 S   CO4  _C22    42     1.54532   116.84784  -152.11147
   54    53 S   O    _O33    43     1.23197   121.30939   -91.97361
   55    49 S   OH   _O34    76     1.44516   106.57121    93.46974
   56    55 S   HO   _H13    77     0.97540   106.09192    55.53485
   57    53 S   CA   _C13    44     1.49585   119.42645    88.34958
   58    57 S   CA   _C14    45     1.40038   119.61295    12.67468
   59    57 S   CA   _C12    56     1.41048   120.67771  -168.32744
   60    58 S   CA   _C5_    46     1.42189   119.24858  -178.10690
   61    59 S   OH   _O38    57     1.37714   120.55473     1.83323
   62    61 S   HO   _H19    58     0.97250   109.82874     0.02798
   63    58 S   CT   _C15    65     1.51245   120.65003    -0.80454
   64    63 S   HC   _H11    66     1.09698   109.47234   139.69095
   65    63 S   HC   _H12    67     1.09323   105.92604  -103.96407
   66    60 S   CA   _C6_    47     1.43100   120.80999    -5.42726
   67    60 S   CT   _C4_    61     1.51843   119.93585   175.88696
   68    67 S   HC   _H5_    62     1.09503   110.87211  -137.07177
   69    67 S   HC   _H6_    63     1.09265   113.19387   -20.18484
   70    67 S   HC   _H7_    64     1.09435   109.95661   101.35099
   71    49 S   CT   _C16    68     1.53500   113.90217   -25.64171
   72    71 S   HC   _H3_    69     1.10167   108.33256   169.65322
   73    66 S   CA   _C7_    48     1.41869   122.08872  -175.46689
   74    73 S   HA   _H8_    49     1.08785   121.00165     1.32618
   75    73 S   CA   _C8_    50     1.39348   122.72123  -179.29975
   76    75 S   HA   _H9_    51     1.08600   120.09835   179.96044
   77    75 S   CA   _C9_    52     1.38089   119.57415    -0.14804
   78    77 S   HA   _H10    53     1.08598   119.45991   179.96044
   79    77 S   CA   _C10    54     1.39564   119.30682    -0.36904
   80    66 S   CA   _C11    55     1.41924   119.86447     4.39374
   81    79 S   OH   _O39    59     1.37452   117.28828  -179.51141
   82    81 S   HO   _H20    60     0.97156   109.40982    -0.47147
  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
  17   7   2   1   1  14  16   8  13   5   7   3   2   1   5   3
  12   2   1   1  12   5   5   1  13  15  10  14   4   1   6   3
   2  12   5   2   1   1   1   1   7   4   6   3   5   3   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    71    39    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    49    63    71    72    39    40    43    44    45    46    47    48    50  
   38    41    71    39    40    43    47  
   36    37  
   37  
    0  
   41    42    49    53    71    39    40    43    55    47    48    50    51    52  
   40    43    44    45    46    55    47    41    49    53    58    63    64    65    71    72  
   43    44    45    46    49    63    71    72  
   42    49    53    54    57    63    71    72    55    56    47    48    50  
   49    53    71    55    47  
   44    45    46    49    63    71    72  
   45    46    71  
   46    71  
   71  
   48    50    51    52    49  
   50    51    52  
   53    54    57    58    59    63    64    65    71    72    55    56  
   51    52  
   52  
    0  
   54    57    58    60    80    59    61    63    71    72    55    56  
   57    58    59    71    55  
   56    57    63    71    72  
   71  
   58    60    66    79    80    59    61    62    67    63    64    65    71  
   60    66    73    80    59    61    67    68    69    70    63    64    65    71    72  
   61    62    81    63    60    66    73    77    79    80  
   66    73    74    75    79    80    67    68    69    70    63    64    65    71  
   62    66    79    80  
   80  
   64    65    71    72    66    67  
   65    71    72  
   71    72  
   73    74    75    76    77    79    80    81    67    68    69    70  
   68    69    70    73    80  
   69    70  
   70  
    0  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77    80  
   76    77    78    79    80    81  
   77    78    79  
   78    79    80    81    82  
   79    80    81  
   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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   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   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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    47   410.000  1.444
   41    42   745.000  1.250
   41    49   270.000  1.512
   49    53   317.000  1.522
   49    71   268.000  1.529
   49    55   320.000  1.410
   53    54   570.000  1.229
   53    57   310.000  1.470
   57    58   469.000  1.400
   57    59   469.000  1.400
   58    60   469.000  1.400
   58    63   317.000  1.510
   60    66   469.000  1.400
   60    67   317.000  1.510
   66    73   469.000  1.400
   66    80   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   469.000  1.400
   79    81   450.000  1.364
   80    59   469.000  1.400
   59    61   450.000  1.364
   61    62   553.000  0.945
   81    82   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    39   268.000  1.529
   39    40   340.000  1.090
   39    43   367.000  1.471
   43    44   434.000  1.010
   43    45   434.000  1.010
   43    46   434.000  1.010
   55    56   553.000  0.945
   47    48   570.000  1.229
   47    50   490.000  1.335
   50    51   434.000  1.010
   50    52   434.000  1.010
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    47    70.00000  119.70000
   33    39    71    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    80.00000  111.20000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    49    65.00000  122.18000
   38    47    48    80.00000  125.30000
   38    47    50    80.00000  111.56200
   41    49    53    70.00000  109.06800
   41    49    71    70.00000  112.02700
   41    49    55    90.00000  110.39200
   49    41    42    85.00000  112.85300
   49    53    54    80.00000  120.40000
   49    53    57    65.00000  115.47100
   49    71    63    58.35000  112.70000
   49    71    72    37.50000  110.70000
   49    71    39    58.35000  112.70000
   49    55    56    55.00000  108.50000
   53    57    58    60.00000  119.52600
   53    57    59    60.00000  119.52600
   57    53    54    75.00000  123.78400
   57    58    60    63.00000  120.00000
   57    58    63    70.00000  120.00000
   57    59    80    63.00000  120.00000
   57    59    61    70.00000  120.00000
   58    60    66    63.00000  120.00000
   58    60    67    70.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    71    70.00000  112.17500
   60    66    73    63.00000  120.00000
   60    66    80    63.00000  120.00000
   60    67    68    35.00000  109.50000
   60    67    69    35.00000  109.50000
   60    67    70    35.00000  109.50000
   66    73    74    35.00000  120.00000
   66    73    75    63.00000  120.00000
   66    80    79    63.00000  120.00000
   66    80    59    63.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    63.00000  120.00000
   77    79    81    70.00000  120.00000
   79    77    78    35.00000  120.00000
   79    80    59    63.00000  120.00000
   79    81    82    35.00000  113.00000
   80    66    73    63.00000  120.00000
   80    59    61    70.00000  120.00000
   59    57    58    63.00000  120.00000
   59    61    62    35.00000  113.00000
   81    79    80    70.00000  120.00000
   67    60    66    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    58    60    70.00000  120.00000
   63    71    72    37.50000  110.70000
   63    71    39    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    49    53    63.00000  111.10000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    39    40    37.50000  110.70000
   71    39    43    80.00000  111.20000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    71    72    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    45    35.00000  109.50000
   39    43    46    35.00000  109.50000
   43    39    40    35.00000  109.50000
   45    43    44    35.00000  109.50000
   46    43    44    35.00000  109.50000
   46    43    45    35.00000  109.50000
   55    49    53    90.00000  109.61100
   55    49    71    50.00000  109.50000
   47    38    41    60.00000  120.04000
   47    50    51    35.00000  119.80000
   47    50    52    35.00000  119.80000
   50    47    48    80.00000  122.90000
   52    50    51    35.00000  120.00000
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    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    47   0.09700  1.0 1.0
   29    33    38    47   0.15600 -1.0 2.0
   29    33    38    47  -0.50800  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   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    49   7.00000 -1.0 2.0
   33    38    47    48  -0.64400  1.0 1.0
   33    38    47    48   0.26850 -1.0 2.0
   33    38    47    50   1.59650  1.0 1.0
   33    38    47    50   0.42750 -1.0 2.0
   33    38    47    50  -0.48350  1.0 3.0
   33    39    43    44   0.17350  1.0 3.0
   33    39    43    45   0.17350  1.0 3.0
   33    39    43    46   0.17350  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    47   0.09700  1.0 1.0
   34    33    38    47   0.15600 -1.0 2.0
   34    33    38    47  -0.50800  1.0 3.0
   34    33    39    71   0.62750  1.0 1.0
   34    33    39    71  -0.30950 -1.0 2.0
   34    33    39    71   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.69300  1.0 1.0
   34    33    39    43  -0.48450 -1.0 2.0
   38    33    39    71   0.34400  1.0 1.0
   38    33    39    71   0.09450 -1.0 2.0
   38    33    39    71   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43  -0.47300  1.0 1.0
   38    33    39    43   0.29700 -1.0 2.0
   38    33    39    43   0.83300  1.0 3.0
   38    41    49    53  -0.51250  1.0 1.0
   38    41    49    53  -0.88800 -1.0 2.0
   38    41    49    53   0.08850  1.0 3.0
   38    41   -49    71   0.09850  1.0 1.0
   38    41   -49    71   0.15250 -1.0 2.0
   38    41   -49    71  -0.50650  1.0 3.0
   38    41    49    55   0.67800  1.0 1.0
   38    41    49    55   0.47050 -1.0 2.0
   38    41    49    55  -0.62500  1.0 3.0
   38    47    50    51   2.56700 -1.0 2.0
   38    47    50    52   2.56700 -1.0 2.0
   41    38    47    48   1.00000 -1.0 2.0
   41    38    47    50   0.49500  1.0 1.0
   41    38    47    50   1.31600 -1.0 2.0
   41    38    47    50  -0.02300  1.0 3.0
   41    49    53    54   0.30150 -1.0 2.0
   41    49    53    57   0.65300  1.0 1.0
   41    49    53    57  -0.03850 -1.0 2.0
   41    49    53    57   0.33900  1.0 3.0
   41    49    71    63   0.34400  1.0 1.0
   41    49    71    63   0.09450 -1.0 2.0
   41    49    71    63   0.11100  1.0 3.0
   41    49    71    72   0.15000  1.0 3.0
   41    49    71    39   0.34400  1.0 1.0
   41    49    71    39   0.09450 -1.0 2.0
   41    49    71    39   0.11100  1.0 3.0
   41    49    55    56  -0.07800  1.0 1.0
   41    49    55    56  -0.21500 -1.0 2.0
   41    49    55    56  -0.03150  1.0 3.0
   42    41    49    53   0.09700  1.0 1.0
   42    41    49    53   0.15600 -1.0 2.0
   42    41    49    53  -0.50800  1.0 3.0
   42    41    49    71   0.09700  1.0 1.0
   42    41    49    71   0.15600 -1.0 2.0
   42    41    49    71  -0.50800  1.0 3.0
   42    41    49    55   0.09700  1.0 1.0
   42    41    49    55   0.15600 -1.0 2.0
   42    41    49    55  -0.50800  1.0 3.0
   49    53    57    58   2.26350  1.0 1.0
   49    53    57    58   0.76750 -1.0 2.0
   49    53    57    58   0.22500  1.0 3.0
   49    53    57    59   2.26350  1.0 1.0
   49    53    57    59   0.76750 -1.0 2.0
   49    53    57    59   0.22500  1.0 3.0
   49    71   -39    33   0.56750  1.0 1.0
   49    71   -39    33  -0.07550 -1.0 2.0
   49    71   -39    33   0.20000  1.0 3.0
   49    71    39    40   0.15000  1.0 3.0
   49    71    39    43   1.36600  1.0 1.0
   49    71    39    43  -0.11450 -1.0 2.0
   49    71    39    43   0.24250  1.0 3.0
   53    49    71    63  -0.95700  1.0 1.0
   53    49    71    63  -0.18200 -1.0 2.0
   53    49    71    63   0.29450  1.0 3.0
   53    49    71    72  -0.11250  1.0 3.0
   53    49    71    39  -0.95700  1.0 1.0
   53    49    71    39  -0.18200 -1.0 2.0
   53    49    71    39   0.29450  1.0 3.0
   53    49    55    56   0.91850  1.0 1.0
   53    49    55    56   0.57950  1.0 3.0
   53    57    58    60   3.62500 -1.0 2.0
   53    57   -58    63   3.62500 -1.0 2.0
   53    57    59    80   3.62500 -1.0 2.0
   53    57    59    61   3.62500 -1.0 2.0
   54    53    57    58   1.05000 -1.0 2.0
   54    53    57    59   1.05000 -1.0 2.0
   57    58    60    66   3.62500 -1.0 2.0
   57    58    60    67   3.62500 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    71   0.04150 -1.0 2.0
   57    59    61    62   0.84100 -1.0 2.0
   58    57    59    80   3.62500 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   58    60    66    73   3.62500 -1.0 2.0
   58    60   -66    80   3.62500 -1.0 2.0
   58    60    67    68   0.00000  1.0 1.0
   58    60    67    69   0.00000  1.0 1.0
   58    60    67    70   0.00000  1.0 1.0
   58    63   -71    49  -0.03700  1.0 1.0
   58    63   -71    49   0.37200 -1.0 2.0
   58    63   -71    49  -0.47300  1.0 3.0
   58    63    71    72   0.43200  1.0 3.0
   58    63    71    39  -0.03700  1.0 1.0
   58    63    71    39   0.37200 -1.0 2.0
   58    63    71    39  -0.47300  1.0 3.0
   60    58    63    64   0.00000  1.0 1.0
   60    58    63    65   0.00000  1.0 1.0
   60    58    63    71   0.04150 -1.0 2.0
   60    66    73    74   3.62500 -1.0 2.0
   60    66    73    75   3.62500 -1.0 2.0
   60    66    80    79   3.62500 -1.0 2.0
   60    66    80    59   3.62500 -1.0 2.0
   66    60    67    68   0.00000  1.0 1.0
   66    60    67    69   0.00000  1.0 1.0
   66    60    67    70   0.00000  1.0 1.0
   66    73    75    76   3.62500 -1.0 2.0
   66    73    75    77   3.62500 -1.0 2.0
   66    80   -59    57   3.62500 -1.0 2.0
   66    80    59    61   3.62500 -1.0 2.0
   73    66    80    79   3.62500 -1.0 2.0
   73    66    80    59   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75   -77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   75    77    79    81   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   77    79   -80    66   3.62500 -1.0 2.0
   77    79    80    59   3.62500 -1.0 2.0
   77    79    81    82   0.84100 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    80    59    57   3.62500 -1.0 2.0
   79    80    59    61   3.62500 -1.0 2.0
   80    66    73    74   3.62500 -1.0 2.0
   80    66   -73    75   3.62500 -1.0 2.0
   80    79    81    82   0.84100 -1.0 2.0
   80    59    61    62   0.84100 -1.0 2.0
   59    57   -58    60   3.62500 -1.0 2.0
   59    57    58    63   3.62500 -1.0 2.0
   81    79    80    66   3.62500 -1.0 2.0
   81    79    80    59   3.62500 -1.0 2.0
   67    60    66    73   3.62500 -1.0 2.0
   67    60    66    80   3.62500 -1.0 2.0
   63    58    60    66   3.62500 -1.0 2.0
   63    58    60    67   3.62500 -1.0 2.0
   63    71    39    33   0.56750  1.0 1.0
   63    71    39    33  -0.07550 -1.0 2.0
   63    71    39    33   0.20000  1.0 3.0
   63    71    39    40   0.15000  1.0 3.0
   63    71    39    43   1.36600  1.0 1.0
   63    71    39    43  -0.11450 -1.0 2.0
   63    71    39    43   0.24250  1.0 3.0
   64    63    71    49   0.15000  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    39   0.15000  1.0 3.0
   65    63    71    49   0.15000  1.0 3.0
   65    63    71    72   0.15000  1.0 3.0
   65    63    71    39   0.15000  1.0 3.0
   71    49    53    54   0.30150 -1.0 2.0
   71    49   -53    57   0.05850 -1.0 2.0
   71    49   -53    57   0.17250  1.0 3.0
   71    49    55    56  -0.11600  1.0 1.0
   71    49    55    56  -0.09450 -1.0 2.0
   71    49    55    56   0.21250  1.0 3.0
   71    39    43    44   0.17350  1.0 3.0
   71    39    43    45   0.17350  1.0 3.0
   71    39    43    46   0.17350  1.0 3.0
   72    71    39    33   0.15000  1.0 3.0
   72    71    39    40   0.15000  1.0 3.0
   72    71    39    43   0.19200  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    47   0.09700  1.0 1.0
   39    33    38    47   0.15600 -1.0 2.0
   39    33    38    47  -0.50800  1.0 3.0
   40    39    43    44   0.13050  1.0 3.0
   40    39    43    45   0.13050  1.0 3.0
   40    39    43    46   0.13050  1.0 3.0
   55    49    53    54   0.30150 -1.0 2.0
   55    49    53    57   0.65300  1.0 1.0
   55    49    53    57  -0.03850 -1.0 2.0
   55    49    53    57   0.33900  1.0 3.0
   55    49    71    63   0.86500  1.0 1.0
   55    49    71    63  -0.17500 -1.0 2.0
   55    49    71    63   0.20800  1.0 3.0
   55    49    71    72   0.23400  1.0 3.0
   55    49    71    39   0.86500  1.0 1.0
   55    49    71    39  -0.17500 -1.0 2.0
   55    49    71    39   0.20800  1.0 3.0
   47    38    41    42   7.00000 -1.0 2.0
   47    38    41    49   7.00000 -1.0 2.0
   48    47    50    51   2.45000 -1.0 2.0
   48    47    50    52   2.45000 -1.0 2.0
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    47    38    41   1.10000 -1.0 2.0
   49    42    41    38   1.10000 -1.0 2.0
   49    57    53    54  10.50000 -1.0 2.0
   58    59    57    53   4.00000 -1.0 2.0
   60    63    58    57   4.00000 -1.0 2.0
   66    67    60    58   4.00000 -1.0 2.0
   73    80    66    60   4.00000 -1.0 2.0
   75    74    73    66   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   80    81    79    77   4.00000 -1.0 2.0
   79    59    80    66   4.00000 -1.0 2.0
   80    61    59    57   4.00000 -1.0 2.0
   38    50    47    48  10.50000 -1.0 2.0
   52    47    50    51   1.00000 -1.0 2.0
END
