* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    157    245     461
    1     0 S   NP   _N1_     1    28.80832    95.55027   -21.34965
    2     1 S   H    _HN1     2     1.02787    93.22719   -86.43774
    3     1 S   H    _H1_     3     1.02946    79.55675    21.63661
    4     1 S   H    _H2_     4     1.02830    37.79846   158.18130
    5     1 S   CT   _CA1     5     1.50111   146.59357   133.09317
    6     5 S   HC   _HA1     6     1.09580   105.16489    75.43595
    7     5 S   CO3  _C1_     7     1.53700   112.37403   -44.68902
    8     7 S   O2Z  _O11     8     1.26373   115.03215   -45.22372
    9     7 S   O2Z  _O12     9     1.26230   114.92617   133.83443
   10     5 S   CT   _CB1    10     1.53070   107.40511  -166.73911
   11    10 S   HC   HB11    11     1.09833   109.17080   -50.58828
   12    10 S   HC   HB12    12     1.09810   110.56320    65.96737
   13    10 S   CT   _CG1    13     1.52997   112.65907  -171.61311
   14    13 S   HC   HG11    14     1.09540   110.61527   -68.08913
   15    13 S   HC   HG12    15     1.09677   109.79639    51.10057
   16    13 S   C    _CD1    16     1.51835   112.17007   171.33775
   17    16 S   O    _OE1    17     1.22735   123.26416     6.85781
   18    16 S   N    _N2_    18     1.38575   111.67703  -172.89671
   19    18 S   H    _HN2    19     1.01600   118.93369    -0.20936
   20    18 S   CT1  _CA2    20     1.46291   123.51078   175.88682
   21    20 S   HC   _HA2    21     1.09737   109.40602    -1.07920
   22    20 S   C    _C2_    22     1.53546   108.47386  -116.33727
   23    22 S   O    _O2_    23     1.23038   122.38892  -149.43804
   24    20 S   CT   _CB2    32     1.53216   111.31361   121.16739
   25    24 S   HC   HB21    33     1.09417   109.60198    54.72200
   26    24 S   HC   HB22    34     1.09514   110.69493   172.95338
   27    22 S   N    _N3_    24     1.38375   113.61449    38.22413
   28    27 S   H    _HN3    25     1.01593   119.50137    -3.63270
   29    24 S   S    _SG2    35     1.83204   110.96113   -68.50628
   30    27 S   CT   _CA3    26     1.45268   123.22520   177.02237
   31    30 S   HC   HA31    27     1.09549   107.55454   -63.68466
   32    30 S   HC   HA32    28     1.09556   107.93949    52.75096
   33    29 S   CT   _C11    36     1.84817   101.28893   140.29447
   34    33 S   HC   _H3_    37     1.09262   104.02033   168.81111
   35    30 S   CO3  _C3_    29     1.52952   114.06862   174.73433
   36    35 S   O2Z  _O31    30     1.26375   116.06678     0.09279
   37    35 S   O2Z  _O32    31     1.26424   114.41802  -179.86152
   38    33 S   CM   _C10    38     1.51683   111.28618    54.99335
   39    38 S   CMA  _C9_    39     1.35372   124.18793  -126.22630
   40    39 S   OM   _O36    40     1.26319   130.66234   177.18986
   41    38 S   OS   _O35    78     1.39285   115.58628    51.45258
   42    39 S   CT   _C8_    41     1.52660   118.06476    -3.06452
   43    42 S   HC   _H13    42     1.10285   106.49601    92.50085
   44    42 S   HC   _H14    43     1.09605   112.15946  -154.76487
   45    41 S   CT   _C22    79     1.42597   110.86645    83.23679
   46    45 S   HC   _H23    80     1.09399   107.84505   172.57765
   47    45 S   HC   _H24    81     1.09556   111.54007    54.04546
   48    45 S   HC   _H25    82     1.09441   111.04461   -69.37580
   49    42 S   CT   _C7_    44     1.56165   114.96081   -27.75184
   50    49 S   CA   _C16    45     1.54570   116.68339   -65.54143
   51    49 S   CT   _C6_    71     1.55439   108.34563   172.69362
   52    51 S   HC   _H11    72     1.09745   110.78186    70.64224
   53    51 S   HC   _H12    73     1.09904   109.37396   -46.00431
   54    50 S   CA   _C15    46     1.41638   119.26020   146.54255
   55    54 S   CA   _C20    47     1.40636   120.35202  -178.74228
   56    55 S   HA   _H18    48     1.08826   119.92608   178.71686
   57    54 S   CT   _C14    60     1.51432   122.91971     1.29059
   58    57 S   HC   _H15    61     1.09561   108.95684   129.04380
   59    57 S   HC   _H16    62     1.09841   107.48224  -117.28049
   60    55 S   CA   _C19    49     1.39178   121.25461    -1.74966
   61    60 S   HA   _H17    50     1.08484   118.06412  -179.92087
   62    57 S   CT   _C13    63     1.54172   115.43867     3.62601
   63    62 S   HC   _H5_    64     1.09751   107.78013  -154.24724
   64    60 S   CA   _C18    51     1.38978   119.61248    -1.20756
   65    33 S   CT   _C12    65     1.55900   110.25838   -74.29532
   66    65 S   HC   _H4_    66     1.10071   108.02717    42.17497
   67    62 S   NT   _N4_    67     1.48041   115.40565    86.96054
   68    50 S   CA   _C17    52     1.40986   123.77082   -36.84689
   69    64 S   OS   _O33    55     1.37259   125.19556  -178.03816
   70    67 S   CT   _C5_    68     1.46388   114.02855   -62.62634
   71    70 S   HC   _H9_    69     1.09741   109.54350  -172.89825
   72    70 S   HC   _H10    70     1.09656   111.43722    69.90392
   73    67 S   CT   _C4_    74     1.45985   113.42278    66.17317
   74    73 S   HC   _H6_    75     1.09528   110.84348    51.59492
   75    73 S   HC   _H7_    76     1.09449   112.93873   -70.36401
   76    73 S   HC   _H8_    77     1.09546   110.14368   169.28891
   77    68 S   OH   _O34    53     1.37129   120.01670    -3.32584
   78    77 S   HO   _H22    54     0.97330   107.86465   176.84669
   79    69 S   CT   _C21    56     1.42264   117.01390    -1.69962
   80    79 S   HC   _H19    57     1.09428   107.73507  -179.16397
   81    79 S   HC   _H20    58     1.09494   111.10855    63.12300
   82    79 S   HC   _H21    59     1.09500   111.16458   -61.41307
  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
  16   7   2   1   1  14  10   5   6  13   5   4   3   2   1   1
  18  19  12   6   5  14  10   4  11   5   4   6   3  11   5   8
   5   1   7   4   5   6   2   1   3   2   1   1   1   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    65    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    62    65    66    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    49    50    57    62    63    65    66    67    51    41    45  
   38    39    49    62    65    66    41  
   36    37  
   37  
    0  
   39    40    42    43    44    49    62    65    66    41    45    46    47    48  
   40    42    43    44    49    50    65    51    41    45  
   42    43    44    49    41  
   45    46    47    48    42    65  
   43    44    49    50    54    68    62    65    66    70    51    52    53  
   44    49    50    65    51  
   49    50    65    51  
   46    47    48  
   47    48  
   48  
    0  
   50    54    55    64    68    77    57    62    63    65    66    67    70    71    72    51    52    53  
   54    55    56    60    64    68    77    78    69    57    58    59    62    65    66    70    51    52    53  
   52    53    73    54    62    65    66    67    68    70    71    72  
   53    65    67    70    71    72  
   65    67    70    71    72  
   55    56    60    61    64    68    77    57    58    59    62    63    65    67  
   56    60    61    64    68    69    57    58    59    62  
   60    61    64    57  
   58    59    62    63    65    66    67    70    73    60    68  
   59    62    63    65    67  
   62    63    65    67  
   61    64    68    77    69    79  
   64    68    69  
   63    65    66    67    70    71    72    73    74    75    76  
   65    66    67    70    73  
   68    77    78    69    79    80    81    82  
   66    67    70    73    68  
   67  
   70    71    72    73    74    75    76  
   77    78    69    79  
   79    80    81    82    77  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78  
    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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    65   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   268.000  1.529
   49    50   317.000  1.510
   49    65   268.000  1.529
   49    51   268.000  1.529
   50    54   469.000  1.400
   50    68   469.000  1.400
   54    55   469.000  1.400
   54    57   317.000  1.510
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    68   469.000  1.400
   64    69   450.000  1.364
   68    77   450.000  1.364
   77    78   553.000  0.945
   69    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    67   382.000  1.448
   65    66   340.000  1.090
   67    70   382.000  1.448
   67    73   382.000  1.448
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   41    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    65    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    65    49    58.35000  112.70000
   33    65    62    58.35000  112.70000
   33    65    66    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    45    90.00000  111.18400
   39    42    43    45.00000  110.52000
   39    42    44    45.00000  110.52000
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    49    50    70.00000  112.17500
   42    49    65    58.35000  112.70000
   42    49    51    58.35000  112.70000
   44    42    43    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    44    37.50000  110.70000
   49    50    54    70.00000  120.00000
   49    50    68    70.00000  120.00000
   49    65    62    58.35000  112.70000
   49    65    66    37.50000  110.70000
   49    51    70    58.35000  112.70000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   50    54    55    63.00000  120.00000
   50    54    57    70.00000  120.00000
   50    68    64    63.00000  120.00000
   50    68    77    70.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    60    63.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    70.00000  112.17500
   55    60    61    35.00000  120.00000
   55    60    64    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    64    68    63.00000  120.00000
   60    64    69    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    68    77    70.00000  120.00000
   64    69    79    75.00000  111.00000
   68    50    54    63.00000  120.00000
   68    77    78    35.00000  113.00000
   69    64    68    70.00000  120.00000
   69    79    80    35.00000  109.50000
   69    79    81    35.00000  109.50000
   69    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   57    54    55    70.00000  120.00000
   57    62    63    37.50000  110.70000
   57    62    65    58.35000  112.70000
   57    62    67    56.20000  109.47000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    67    70    51.80000  107.20000
   62    67    73    51.80000  107.20000
   65    33    34    37.50000  110.70000
   65    33    38    70.00000  112.02700
   65    49    50    70.00000  112.17500
   65    62    63    37.50000  110.70000
   67    62    63    35.00000  109.50000
   67    62    65    56.20000  109.47000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    51    56.20000  109.47000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   70    51    52    37.50000  110.70000
   70    51    53    37.50000  110.70000
   72    70    71    33.00000  107.80000
   51    49    50    70.00000  112.17500
   51    49    65    58.35000  112.70000
   51    70    71    37.50000  110.70000
   51    70    72    37.50000  110.70000
   53    51    52    33.00000  107.80000
   73    67    70    51.80000  107.20000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    65   0.01700  1.0 1.0
   24    29    33    65  -0.23550 -1.0 2.0
   24    29    33    65   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    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    65    49   0.44750  1.0 1.0
   29    33    65    49  -0.17800 -1.0 2.0
   29    33    65    49   0.20200  1.0 3.0
   29    33    65    62   0.44750  1.0 1.0
   29    33    65    62  -0.17800 -1.0 2.0
   29    33    65    62   0.20200  1.0 3.0
   29    33    65    66   0.15000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    45   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    65    49   0.15000  1.0 3.0
   34    33    65    62   0.15000  1.0 3.0
   34    33    65    66   0.15000  1.0 3.0
   38    33    65    49   0.34400  1.0 1.0
   38    33    65    49   0.09450 -1.0 2.0
   38    33    65    49   0.11100  1.0 3.0
   38    33    65    62   0.34400  1.0 1.0
   38    33    65    62   0.09450 -1.0 2.0
   38    33    65    62   0.11100  1.0 3.0
   38    33    65    66   0.15000  1.0 3.0
   38    39    42    43   0.00000  1.0 1.0
   38    39    42    44   0.00000  1.0 1.0
   38    39   -42    49   0.09850  1.0 1.0
   38    39   -42    49   0.15250 -1.0 2.0
   38    39   -42    49  -0.50650  1.0 3.0
   38    41    45    46   0.08050  1.0 3.0
   38    41    45    47   0.08050  1.0 3.0
   38    41    45    48   0.08050  1.0 3.0
   39    38    41    45  -2.26850  1.0 1.0
   39    38    41    45   3.39050 -1.0 2.0
   39    42    49    50   0.21200  1.0 1.0
   39    42    49    50   0.16900 -1.0 2.0
   39    42    49    50  -1.15100  1.0 3.0
   39    42    49    65   0.34400  1.0 1.0
   39    42    49    65   0.09450 -1.0 2.0
   39    42    49    65   0.11100  1.0 3.0
   39    42    49    51   0.34400  1.0 1.0
   39    42    49    51   0.09450 -1.0 2.0
   39    42    49    51   0.11100  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    49   0.09700  1.0 1.0
   40    39    42    49   0.15600 -1.0 2.0
   40    39    42    49  -0.50800  1.0 3.0
   42    49    50    54   0.04150 -1.0 2.0
   42    49    50    68   0.04150 -1.0 2.0
   42    49   -65    33   0.56750  1.0 1.0
   42    49   -65    33  -0.07550 -1.0 2.0
   42    49   -65    33   0.20000  1.0 3.0
   42    49    65    62   0.56750  1.0 1.0
   42    49    65    62  -0.07550 -1.0 2.0
   42    49    65    62   0.20000  1.0 3.0
   42    49    65    66   0.15000  1.0 3.0
   42    49    51    70   0.56750  1.0 1.0
   42    49    51    70  -0.07550 -1.0 2.0
   42    49    51    70   0.20000  1.0 3.0
   42    49    51    52   0.15000  1.0 3.0
   42    49    51    53   0.15000  1.0 3.0
   43    42    49    50   0.43200  1.0 3.0
   43    42    49    65   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   44    42    49    50   0.43200  1.0 3.0
   44    42    49    65   0.15000  1.0 3.0
   44    42    49    51   0.15000  1.0 3.0
   49    50    54    55   3.62500 -1.0 2.0
   49    50    54    57   3.62500 -1.0 2.0
   49    50    68    64   3.62500 -1.0 2.0
   49    50    68    77   3.62500 -1.0 2.0
   50    49    65    33  -0.03700  1.0 1.0
   50    49    65    33   0.37200 -1.0 2.0
   50    49    65    33  -0.47300  1.0 3.0
   50    49    65    62  -0.03700  1.0 1.0
   50    49    65    62   0.37200 -1.0 2.0
   50    49    65    62  -0.47300  1.0 3.0
   50    49    65    66   0.43200  1.0 3.0
   50    49    51    70  -0.03700  1.0 1.0
   50    49    51    70   0.37200 -1.0 2.0
   50    49    51    70  -0.47300  1.0 3.0
   50    49    51    52   0.43200  1.0 3.0
   50    49    51    53   0.43200  1.0 3.0
   50    54    55    56   3.62500 -1.0 2.0
   50    54    55    60   3.62500 -1.0 2.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54   -57    62   0.04150 -1.0 2.0
   50    68    77    78   0.84100 -1.0 2.0
   54    50    68    64   3.62500 -1.0 2.0
   54    50    68    77   3.62500 -1.0 2.0
   54    55    60    61   3.62500 -1.0 2.0
   54    55   -60    64   3.62500 -1.0 2.0
   54    57    62    63   0.43200  1.0 3.0
   54    57    62    65  -0.03700  1.0 1.0
   54    57    62    65   0.37200 -1.0 2.0
   54    57    62    65  -0.47300  1.0 3.0
   54    57    62    67   0.83750  1.0 1.0
   54    57    62    67   0.32200 -1.0 2.0
   54    57    62    67   0.70600  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    62   0.04150 -1.0 2.0
   55    60    64    68   3.62500 -1.0 2.0
   55    60    64    69   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    64   3.62500 -1.0 2.0
   60    64   -68    50   3.62500 -1.0 2.0
   60    64    68    77   3.62500 -1.0 2.0
   60    64    69    79   1.63200 -1.0 2.0
   61    60    64    68   3.62500 -1.0 2.0
   61    60    64    69   3.62500 -1.0 2.0
   64    68    77    78   0.84100 -1.0 2.0
   64    69    79    80   0.08050  1.0 3.0
   64    69    79    81   0.08050  1.0 3.0
   64    69    79    82   0.08050  1.0 3.0
   68    50   -54    55   3.62500 -1.0 2.0
   68    50    54    57   3.62500 -1.0 2.0
   68    64    69    79   1.63200 -1.0 2.0
   69    64    68    50   3.62500 -1.0 2.0
   69    64    68    77   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    60   3.62500 -1.0 2.0
   57    62    65    33   0.56750  1.0 1.0
   57    62    65    33  -0.07550 -1.0 2.0
   57    62    65    33   0.20000  1.0 3.0
   57    62   -65    49   0.56750  1.0 1.0
   57    62   -65    49  -0.07550 -1.0 2.0
   57    62   -65    49   0.20000  1.0 3.0
   57    62    65    66   0.15000  1.0 3.0
   57    62    67    70   0.23450  1.0 1.0
   57    62    67    70   0.02050 -1.0 2.0
   57    62    67    70   0.25250  1.0 3.0
   57    62    67    73   0.58650  1.0 1.0
   57    62    67    73   0.12600 -1.0 2.0
   57    62    67    73   0.33350  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   58    57    62    67   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   59    57    62    67   0.15000  1.0 3.0
   62    67    70    71   0.28000  1.0 3.0
   62    67    70    72   0.28000  1.0 3.0
   62    67    70    51   0.23450  1.0 1.0
   62    67    70    51   0.02050 -1.0 2.0
   62    67    70    51   0.25250  1.0 3.0
   62    67    73    74   0.28000  1.0 3.0
   62    67    73    75   0.28000  1.0 3.0
   62    67    73    76   0.28000  1.0 3.0
   63    62    65    33   0.15000  1.0 3.0
   63    62    65    49   0.15000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    67    70   0.28000  1.0 3.0
   63    62    67    73   0.28000  1.0 3.0
   65    33   -38    39   0.09850  1.0 1.0
   65    33   -38    39   0.15250 -1.0 2.0
   65    33   -38    39  -0.50650  1.0 3.0
   65    33    38    41   0.09700  1.0 1.0
   65    33    38    41   0.15600 -1.0 2.0
   65    33    38    41  -0.50800  1.0 3.0
   65    49   -50    54   0.04150 -1.0 2.0
   65    49    50    68   0.04150 -1.0 2.0
   65    49    51    70   0.56750  1.0 1.0
   65    49    51    70  -0.07550 -1.0 2.0
   65    49    51    70   0.20000  1.0 3.0
   65    49    51    52   0.15000  1.0 3.0
   65    49    51    53   0.15000  1.0 3.0
   65    62   -67    70   0.23450  1.0 1.0
   65    62   -67    70   0.02050 -1.0 2.0
   65    62   -67    70   0.25250  1.0 3.0
   65    62    67    73   0.58650  1.0 1.0
   65    62    67    73   0.12600 -1.0 2.0
   65    62    67    73   0.33350  1.0 3.0
   67    62    65    33   1.53400  1.0 1.0
   67    62    65    33  -0.09950 -1.0 2.0
   67    62    65    33   0.05700  1.0 3.0
   67    62    65    49   1.53400  1.0 1.0
   67    62    65    49  -0.09950 -1.0 2.0
   67    62    65    49   0.05700  1.0 3.0
   67    62    65    66   0.15000  1.0 3.0
   67    70   -51    49   1.53400  1.0 1.0
   67    70   -51    49  -0.09950 -1.0 2.0
   67    70   -51    49   0.05700  1.0 3.0
   67    70    51    52   0.15000  1.0 3.0
   67    70    51    53   0.15000  1.0 3.0
   70    67    73    74   0.28000  1.0 3.0
   70    67    73    75   0.28000  1.0 3.0
   70    67    73    76   0.28000  1.0 3.0
   71    70    51    49   0.15000  1.0 3.0
   71    70    51    52   0.15000  1.0 3.0
   71    70    51    53   0.15000  1.0 3.0
   72    70    51    49   0.15000  1.0 3.0
   72    70    51    52   0.15000  1.0 3.0
   72    70    51    53   0.15000  1.0 3.0
   51    49    50    54   0.04150 -1.0 2.0
   51    49    50    68   0.04150 -1.0 2.0
   51    49    65    33   0.56750  1.0 1.0
   51    49    65    33  -0.07550 -1.0 2.0
   51    49    65    33   0.20000  1.0 3.0
   51    49   -65    62   0.56750  1.0 1.0
   51    49   -65    62  -0.07550 -1.0 2.0
   51    49   -65    62   0.20000  1.0 3.0
   51    49    65    66   0.15000  1.0 3.0
   73    67    70    71   0.28000  1.0 3.0
   73    67    70    72   0.28000  1.0 3.0
   73    67    70    51   0.58650  1.0 1.0
   73    67    70    51   0.12600 -1.0 2.0
   73    67    70    51   0.33350  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -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    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   54    68    50    49   4.00000 -1.0 2.0
   55    57    54    50   4.00000 -1.0 2.0
   60    56    55    54   1.10000 -1.0 2.0
   64    61    60    55   1.10000 -1.0 2.0
   68    69    64    60   4.00000 -1.0 2.0
   64    77    68    50   4.00000 -1.0 2.0
END
