* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    144    240     434
    1     0 S   NP   _N1_     1    29.93119   100.84381   -22.44303
    2     1 S   H    _HN1     2     1.02835    53.57462   148.84061
    3     1 S   H    _H1_     3     1.02777   121.31861  -121.29710
    4     1 S   H    _H2_     4     1.02954    53.53538   -30.84720
    5     1 S   CT   _CA1     5     1.50151   126.48397    58.74327
    6     5 S   HC   _HA1     6     1.09576   105.19773   118.70548
    7     5 S   CO3  _C1_     7     1.53788   112.15841    -1.44062
    8     7 S   O2Z  _O11     8     1.26371   115.00109   -47.50565
    9     7 S   O2Z  _O12     9     1.26218   114.93084   131.28269
   10     5 S   CT   _CB1    10     1.53073   107.37602  -123.46110
   11    10 S   HC   HB11    11     1.09833   109.36347   -50.04331
   12    10 S   HC   HB12    12     1.09812   110.46171    66.51543
   13    10 S   CT   _CG1    13     1.53020   112.65140  -171.03577
   14    13 S   HC   HG11    14     1.09597   110.56846   -64.38355
   15    13 S   HC   HG12    15     1.09658   109.88524    54.82675
   16    13 S   C    _CD1    16     1.51852   112.14553   175.22689
   17    16 S   O    _OE1    17     1.22784   123.28889     3.68886
   18    16 S   N    _N2_    18     1.38436   111.81044  -176.44901
   19    18 S   H    _HN2    19     1.01723   119.32177     2.78572
   20    18 S   CT1  _CA2    20     1.45809   122.91423   178.89855
   21    20 S   HC   _HA2    21     1.09710   108.97274    28.83299
   22    20 S   C    _C2_    22     1.53161   107.59575   -88.74929
   23    22 S   O    _O2_    23     1.22941   123.09269   -22.50132
   24    20 S   CT   _CB2    32     1.53219   111.86080   152.22357
   25    24 S   HC   HB21    33     1.09217   108.63024    56.51592
   26    24 S   HC   HB22    34     1.09372   109.97861   174.89147
   27    22 S   N    _N3_    24     1.38694   112.31347   160.58504
   28    27 S   H    _HN3    25     1.01520   119.60386    -0.84996
   29    24 S   S    _SG2    35     1.82320   111.75553   -64.78689
   30    27 S   CT   _CA3    26     1.45493   123.05856   172.81286
   31    30 S   HC   HA31    27     1.09507   109.37343    25.24682
   32    30 S   HC   HA32    28     1.09482   107.21838   142.52370
   33    29 S   CT   _C23    36     1.87410   101.93094   165.29129
   34    33 S   OM   _O38    37     1.32533   105.74399  -177.28697
   35    30 S   CO3  _C3_    29     1.53061   112.66626   -98.03451
   36    35 S   O2Z  _O31    30     1.26435   115.35563   -44.95933
   37    35 S   O2Z  _O32    31     1.26347   115.18107   135.70359
   38    33 S   CM   _C6_    38     1.53245   111.53188   -62.30822
   39    33 S   CT   _C22    68     1.58225   109.24724    65.12217
   40    39 S   HC   _H4_    69     1.09591   110.89702    -3.60630
   41    38 S   CMA  _C7_    39     1.36198   125.51940   145.16240
   42    41 S   OM   _O33    40     1.26533   130.60144   176.96146
   43    39 S   OH   _O39    70     1.44286   112.60377   111.56083
   44    43 S   HO   _H16    71     0.97482   105.48285    34.48906
   45    38 S   CO4  _C5_    74     1.50731   119.36785   -37.62470
   46    45 S   O    _O41    75     1.23111   121.02064    98.80811
   47    41 S   CT   _C8_    41     1.54280   116.51441    -0.95511
   48    45 S   CT   _C4_    76     1.50637   117.53481   -79.58232
   49    48 S   HC   _H5_    77     1.09265   109.53792    99.09702
   50    48 S   HC   _H6_    78     1.09328   111.12145   -22.28734
   51    48 S   HC   _H7_    79     1.09379   108.99882  -140.78499
   52    47 S   CO4  _C21    42     1.55034   116.13476  -162.70974
   53    52 S   O    _O34    43     1.23095   122.01424   -94.16443
   54    47 S   OH   _O40    72     1.43846   107.83890    81.20264
   55    54 S   HO   _H17    73     0.97346   106.55544    51.43935
   56    52 S   CA   _C20    44     1.49448   118.59800    85.29012
   57    56 S   CA   _C11    45     1.39621   118.69861    12.75901
   58    56 S   CA   _C19    56     1.41143   121.87181  -167.68530
   59    57 S   CA   _C12    46     1.40142   119.19702  -178.88022
   60    59 S   HA   _H10    47     1.09014   118.53622   178.55788
   61    58 S   OH   _O35    57     1.37543   120.68795     0.34662
   62    61 S   HO   _H13    58     0.97310   109.39390    -0.45970
   63    57 S   CT   _C10    63     1.50433   122.66903    -1.82220
   64    63 S   HC   _H8_    64     1.09742   109.32851   143.03775
   65    63 S   HC   _H9_    65     1.09118   106.65706  -100.93789
   66    59 S   CA   _C13    48     1.40084   122.00823    -1.29225
   67    47 S   CT   _C9_    66     1.53703   112.49116   -38.01709
   68    67 S   HC   _H3_    67     1.10169   107.79978   174.16414
   69    66 S   CA   _C14    49     1.40495   119.21641  -179.89347
   70    69 S   HA   _H11    50     1.08898   119.94484    -0.18975
   71    69 S   CA   _C15    51     1.39045   120.52960   179.88636
   72    71 S   CA   _C16    52     1.38519   120.54414    -0.05234
   73    72 S   HA   _H12    53     1.08625   119.81629  -179.91377
   74    71 S   OH   _O37    61     1.36591   121.10104   179.96044
   75    74 S   HO   _H15    62     0.97282   108.54372    -0.77934
   76    72 S   CA   _C17    54     1.39841   119.26945     0.19881
   77    66 S   CA   _C18    55     1.41617   120.07343     0.23903
   78    76 S   OH   _O36    59     1.37313   117.90594   179.95577
   79    78 S   HO   _H14    60     0.97169   109.25609    -0.34548
  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  14   6  13   5   5   1   6   4  12   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    67    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    63    67    68    39    40    43    44    45    46    48  
   38    41    67    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    52    67    39    40    43    54    45    46    48    49    50    51  
   40    43    44    54    45    41    47    52    57    63    64    65    67    68  
   43    44    47    63    67    68  
   42    47    52    53    56    63    67    68    54    55    45    46    48  
   47    52    67    54    45  
   44    47    63    67    68  
   67  
   46    48    49    50    51    47  
   48    49    50    51  
   52    53    56    57    58    63    64    65    67    68    54    55  
   49    50    51  
   50    51  
   51  
    0  
   53    56    57    59    77    58    61    63    67    68    54    55  
   56    57    58    67    54  
   55    56    63    67    68  
   67  
   57    59    60    66    76    77    58    61    62    63    64    65    67  
   59    60    66    69    77    58    61    63    64    65    67    68  
   61    62    78    63    59    66    69    72    76    77  
   60    66    69    70    71    76    77    63    64    65    67  
   66    69    77    63  
   62    66    76    77  
   77  
   64    65    67    68    66  
   65    67    68  
   67    68  
   69    70    71    72    76    77    78    74  
   68  
    0  
   70    71    72    73    76    77    74    75  
   71    72    77    74  
   72    73    76    77    78    74    75  
   73    76    77    78    79    74    75  
   76    77    78    74  
   75    76  
    0  
   77    78    79  
   78    79  
   79  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   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    45   320.000  1.462
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    52   317.000  1.522
   47    67   268.000  1.529
   47    54   320.000  1.410
   52    53   570.000  1.229
   52    56   310.000  1.470
   56    57   469.000  1.400
   56    58   469.000  1.400
   57    59   469.000  1.400
   57    63   317.000  1.510
   59    60   367.000  1.080
   59    66   469.000  1.400
   66    69   469.000  1.400
   66    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   469.000  1.400
   76    78   450.000  1.364
   77    58   469.000  1.400
   58    61   450.000  1.364
   61    62   553.000  0.945
   78    79   553.000  0.945
   74    75   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   54    55   553.000  0.945
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    45    65.00000  116.34900
   33    39    67    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    47    65.00000  122.18000
   38    45    46    80.00000  123.72100
   38    45    48    65.00000  118.62400
   41    47    52    70.00000  109.06800
   41    47    67    70.00000  112.02700
   41    47    54    90.00000  110.39200
   47    41    42    85.00000  112.85300
   47    52    53    80.00000  120.40000
   47    52    56    65.00000  115.47100
   47    67    63    58.35000  112.70000
   47    67    68    37.50000  110.70000
   47    67    39    58.35000  112.70000
   47    54    55    55.00000  108.50000
   52    56    57    60.00000  119.52600
   52    56    58    60.00000  119.52600
   56    52    53    75.00000  123.78400
   56    57    59    63.00000  120.00000
   56    57    63    70.00000  120.00000
   56    58    77    63.00000  120.00000
   56    58    61    70.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    66    63.00000  120.00000
   57    63    64    35.00000  109.50000
   57    63    65    35.00000  109.50000
   57    63    67    70.00000  112.17500
   59    66    69    63.00000  120.00000
   59    66    77    63.00000  120.00000
   66    59    60    35.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    71    63.00000  120.00000
   66    77    76    63.00000  120.00000
   66    77    58    63.00000  120.00000
   69    71    72    63.00000  120.00000
   69    71    74    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    76    63.00000  120.00000
   71    74    75    35.00000  113.00000
   72    76    77    63.00000  120.00000
   72    76    78    70.00000  120.00000
   76    72    73    35.00000  120.00000
   76    77    58    63.00000  120.00000
   76    78    79    35.00000  113.00000
   77    66    69    63.00000  120.00000
   77    58    61    70.00000  120.00000
   58    56    57    63.00000  120.00000
   58    61    62    35.00000  113.00000
   78    76    77    70.00000  120.00000
   74    71    72    70.00000  120.00000
   63    57    59    70.00000  120.00000
   63    67    68    37.50000  110.70000
   63    67    39    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    47    52    63.00000  111.10000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    43    50.00000  109.50000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   54    47    52    90.00000  109.61100
   54    47    67    50.00000  109.50000
   45    38    41    60.00000  125.92000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    51    35.00000  109.50000
   48    45    46    80.00000  120.40000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    45   0.09700  1.0 1.0
   29    33    38    45   0.15600 -1.0 2.0
   29    33    38    45  -0.50800  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   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    47   7.00000 -1.0 2.0
   33    38    45    46  -0.64400  1.0 1.0
   33    38    45    46   0.26850 -1.0 2.0
   33    38    45    48   0.25700  1.0 1.0
   33    38    45    48   0.66200 -1.0 2.0
   33    38    45    48   0.04450  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  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    45   0.09700  1.0 1.0
   34    33    38    45   0.15600 -1.0 2.0
   34    33    38    45  -0.50800  1.0 3.0
   34    33    39    67   0.62750  1.0 1.0
   34    33    39    67  -0.30950 -1.0 2.0
   34    33    39    67   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   3.69350  1.0 1.0
   34    33    39    43  -1.82950 -1.0 2.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    47    52  -0.51250  1.0 1.0
   38    41    47    52  -0.88800 -1.0 2.0
   38    41    47    52   0.08850  1.0 3.0
   38    41   -47    67   0.09850  1.0 1.0
   38    41   -47    67   0.15250 -1.0 2.0
   38    41   -47    67  -0.50650  1.0 3.0
   38    41    47    54   0.67800  1.0 1.0
   38    41    47    54   0.47050 -1.0 2.0
   38    41    47    54  -0.62500  1.0 3.0
   38    45    48    49   0.00000  1.0 1.0
   38    45    48    50   0.00000  1.0 1.0
   38    45    48    51   0.00000  1.0 1.0
   41    38    45    46   1.00000 -1.0 2.0
   41    38    45    48  -0.33500  1.0 1.0
   41    38    45    48   1.06600 -1.0 2.0
   41    38    45    48  -0.14000  1.0 3.0
   41    47    52    53   0.30150 -1.0 2.0
   41    47    52    56   0.65300  1.0 1.0
   41    47    52    56  -0.03850 -1.0 2.0
   41    47    52    56   0.33900  1.0 3.0
   41    47    67    63   0.34400  1.0 1.0
   41    47    67    63   0.09450 -1.0 2.0
   41    47    67    63   0.11100  1.0 3.0
   41    47    67    68   0.15000  1.0 3.0
   41    47    67    39   0.34400  1.0 1.0
   41    47    67    39   0.09450 -1.0 2.0
   41    47    67    39   0.11100  1.0 3.0
   41    47    54    55  -0.07800  1.0 1.0
   41    47    54    55  -0.21500 -1.0 2.0
   41    47    54    55  -0.03150  1.0 3.0
   42    41    47    52   0.09700  1.0 1.0
   42    41    47    52   0.15600 -1.0 2.0
   42    41    47    52  -0.50800  1.0 3.0
   42    41    47    67   0.09700  1.0 1.0
   42    41    47    67   0.15600 -1.0 2.0
   42    41    47    67  -0.50800  1.0 3.0
   42    41    47    54   0.09700  1.0 1.0
   42    41    47    54   0.15600 -1.0 2.0
   42    41    47    54  -0.50800  1.0 3.0
   47    52    56    57   2.26350  1.0 1.0
   47    52    56    57   0.76750 -1.0 2.0
   47    52    56    57   0.22500  1.0 3.0
   47    52    56    58   2.26350  1.0 1.0
   47    52    56    58   0.76750 -1.0 2.0
   47    52    56    58   0.22500  1.0 3.0
   47    67   -39    33   0.56750  1.0 1.0
   47    67   -39    33  -0.07550 -1.0 2.0
   47    67   -39    33   0.20000  1.0 3.0
   47    67    39    40   0.15000  1.0 3.0
   47    67    39    43   0.86500  1.0 1.0
   47    67    39    43  -0.17500 -1.0 2.0
   47    67    39    43   0.20800  1.0 3.0
   52    47    67    63  -0.95700  1.0 1.0
   52    47    67    63  -0.18200 -1.0 2.0
   52    47    67    63   0.29450  1.0 3.0
   52    47    67    68  -0.11250  1.0 3.0
   52    47    67    39  -0.95700  1.0 1.0
   52    47    67    39  -0.18200 -1.0 2.0
   52    47    67    39   0.29450  1.0 3.0
   52    47    54    55   0.91850  1.0 1.0
   52    47    54    55   0.57950  1.0 3.0
   52    56    57    59   3.62500 -1.0 2.0
   52    56   -57    63   3.62500 -1.0 2.0
   52    56    58    77   3.62500 -1.0 2.0
   52    56    58    61   3.62500 -1.0 2.0
   53    52    56    57   1.05000 -1.0 2.0
   53    52    56    58   1.05000 -1.0 2.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    66   3.62500 -1.0 2.0
   56    57    63    64   0.00000  1.0 1.0
   56    57    63    65   0.00000  1.0 1.0
   56    57    63    67   0.04150 -1.0 2.0
   56    58    61    62   0.84100 -1.0 2.0
   57    56    58    77   3.62500 -1.0 2.0
   57    56    58    61   3.62500 -1.0 2.0
   57    59    66    69   3.62500 -1.0 2.0
   57    59   -66    77   3.62500 -1.0 2.0
   57    63   -67    47  -0.03700  1.0 1.0
   57    63   -67    47   0.37200 -1.0 2.0
   57    63   -67    47  -0.47300  1.0 3.0
   57    63    67    68   0.43200  1.0 3.0
   57    63    67    39  -0.03700  1.0 1.0
   57    63    67    39   0.37200 -1.0 2.0
   57    63    67    39  -0.47300  1.0 3.0
   59    57    63    64   0.00000  1.0 1.0
   59    57    63    65   0.00000  1.0 1.0
   59    57    63    67   0.04150 -1.0 2.0
   59    66    69    70   3.62500 -1.0 2.0
   59    66    69    71   3.62500 -1.0 2.0
   59    66    77    76   3.62500 -1.0 2.0
   59    66    77    58   3.62500 -1.0 2.0
   60    59    66    69   3.62500 -1.0 2.0
   60    59    66    77   3.62500 -1.0 2.0
   66    69    71    72   3.62500 -1.0 2.0
   66    69    71    74   3.62500 -1.0 2.0
   66    77   -58    56   3.62500 -1.0 2.0
   66    77    58    61   3.62500 -1.0 2.0
   69    66    77    76   3.62500 -1.0 2.0
   69    66    77    58   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71   -72    76   3.62500 -1.0 2.0
   69    71    74    75   0.84100 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72    76    77   3.62500 -1.0 2.0
   71    72    76    78   3.62500 -1.0 2.0
   72    71    74    75   0.84100 -1.0 2.0
   72    76   -77    66   3.62500 -1.0 2.0
   72    76    77    58   3.62500 -1.0 2.0
   72    76    78    79   0.84100 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    77    58    56   3.62500 -1.0 2.0
   76    77    58    61   3.62500 -1.0 2.0
   77    66    69    70   3.62500 -1.0 2.0
   77    66   -69    71   3.62500 -1.0 2.0
   77    76    78    79   0.84100 -1.0 2.0
   77    58    61    62   0.84100 -1.0 2.0
   58    56   -57    59   3.62500 -1.0 2.0
   58    56    57    63   3.62500 -1.0 2.0
   78    76    77    66   3.62500 -1.0 2.0
   78    76    77    58   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    76   3.62500 -1.0 2.0
   63    57    59    60   3.62500 -1.0 2.0
   63    57    59    66   3.62500 -1.0 2.0
   63    67    39    33   0.56750  1.0 1.0
   63    67    39    33  -0.07550 -1.0 2.0
   63    67    39    33   0.20000  1.0 3.0
   63    67    39    40   0.15000  1.0 3.0
   63    67    39    43   0.86500  1.0 1.0
   63    67    39    43  -0.17500 -1.0 2.0
   63    67    39    43   0.20800  1.0 3.0
   64    63    67    47   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    39   0.15000  1.0 3.0
   65    63    67    47   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    39   0.15000  1.0 3.0
   67    47    52    53   0.30150 -1.0 2.0
   67    47   -52    56   0.05850 -1.0 2.0
   67    47   -52    56   0.17250  1.0 3.0
   67    47    54    55  -0.11600  1.0 1.0
   67    47    54    55  -0.09450 -1.0 2.0
   67    47    54    55   0.21250  1.0 3.0
   67    39    43    44  -0.11600  1.0 1.0
   67    39    43    44  -0.09450 -1.0 2.0
   67    39    43    44   0.21250  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    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    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   54    47    52    53   0.30150 -1.0 2.0
   54    47    52    56   0.65300  1.0 1.0
   54    47    52    56  -0.03850 -1.0 2.0
   54    47    52    56   0.33900  1.0 3.0
   54    47    67    63   0.86500  1.0 1.0
   54    47    67    63  -0.17500 -1.0 2.0
   54    47    67    63   0.20800  1.0 3.0
   54    47    67    68   0.23400  1.0 3.0
   54    47    67    39   0.86500  1.0 1.0
   54    47    67    39  -0.17500 -1.0 2.0
   54    47    67    39   0.20800  1.0 3.0
   45    38    41    42   7.00000 -1.0 2.0
   45    38    41    47   7.00000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    51   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    45    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   47    56    52    53  10.50000 -1.0 2.0
   57    58    56    52   4.00000 -1.0 2.0
   59    63    57    56   4.00000 -1.0 2.0
   66    60    59    57   1.10000 -1.0 2.0
   69    77    66    59   4.00000 -1.0 2.0
   71    70    69    66   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   76    73    72    71   1.10000 -1.0 2.0
   77    78    76    72   4.00000 -1.0 2.0
   76    58    77    66   4.00000 -1.0 2.0
   77    61    58    56   4.00000 -1.0 2.0
   38    48    45    46  10.50000 -1.0 2.0
END
