* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    146    235     444
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02082    83.97612   -78.32643
    3     1 S   H    _H1_     3     1.02057    95.91212    29.86848
    4     1 S   H    _H2_     4     1.02074    34.21405   144.82932
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C12    36     1.83723    97.62901  -178.13943
   34    33 S   HC   _H3_    37     1.10573   104.55105    35.07632
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CT   _C9_    38     1.53536   110.50411   -80.05636
   39    38 S   HC   _H28    39     1.09770   108.00593   158.86332
   40    38 S   HC   _H29    40     1.09809   108.65476    46.23272
   41    38 S   CT   _C11    41     1.54761   114.83266   -78.45815
   42    41 S   HC   _H31    42     1.09206   106.32607    60.50573
   43    41 S   CT   _C14    43     1.57200   112.04014   -54.48385
   44    43 S   CT   _C7_    44     1.57151   109.32926   174.03724
   45    44 S   HC   _H24    45     1.10129   109.66954  -101.78765
   46    44 S   HC   _H25    46     1.09976   110.05830   142.42961
   47    43 S   CT   _C13    62     1.57846   108.45154    54.02402
   48    43 S   CT   _C16    73     1.55194   111.65235   -67.58516
   49    48 S   HC   _H33    74     1.08081   108.50579    60.30867
   50    48 S   HC   _H34    75     1.08083   108.48048   -59.62242
   51    48 S   HC   _H35    76     1.07981   108.60877  -179.66080
   52    44 S   CT   _C6_    47     1.52795   115.31851    19.97008
   53    52 S   HC   _H22    48     1.09820   111.22638   160.99066
   54    52 S   HC   _H23    49     1.10078   108.60432   -83.68356
   55    33 S   CT   _C10    63     1.54116   111.72739   152.85361
   56    55 S   HC   _H30    64     1.10226   108.15777   -38.35278
   57    47 S   CO4  _C5_    68     1.51006   111.74219   178.60900
   58    57 S   O    _O17    69     1.22687   123.41374  -108.60358
   59    57 S   HC   _H21    70     1.10263   115.64297    71.52866
   60    47 S   OH   _O18    71     1.44196   108.20278    68.22767
   61    60 S   HO   _H42    72     0.96560   105.67827   177.47563
   62    52 S   CT   _C8_    50     1.51845   112.29554    36.71033
   63    62 S   HC   _H26    51     1.08958   109.36990    59.49253
   64    62 S   HC   _H27    52     1.09040   108.15401   175.76973
   65    55 S   CO4  _C4_    65     1.50646   109.03718  -149.53793
   66    65 S   O    _O16    66     1.22608   123.43315    -5.37509
   67    65 S   HC   _H20    67     1.10358   115.60407   174.76482
   68    41 S   CT   _C15    53     1.57924   112.98088   173.25927
   69    68 S   CT   _C17    54     1.54334   114.22300    37.80702
   70    69 S   HC   _H36    55     1.08431   109.15844   -55.22743
   71    69 S   HC   _H37    56     1.08434   109.19118  -175.22804
   72    69 S   HC   _H38    57     1.08469   109.18472    64.76953
   73    68 S   CT   _C18    58     1.55234   108.23797   -80.49183
   74    73 S   HC   _H39    59     1.08048   108.51217    59.24325
   75    73 S   HC   _H40    60     1.08030   108.49692   -60.71065
   76    73 S   HC   _H41    61     1.07959   108.56387   179.30648
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  15   6   5  26   8  23  17   7   6  16   8
   2   1   1   8   5   4   9   5   5   2   1   2   1  11   4   3
   2   1   1   8   7   3   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    55    56    65  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    68    47    55    56    65    66    67    57    60  
   38    39    40    41    47    55    56    65  
   36    37  
   37  
    0  
   39    40    41    42    43    44    62    68    69    73    47    55    56    65    48  
   40    41    42    43    68    55  
   41    42    43    68    55  
   42    43    44    45    46    52    62    63    64    68    69    70    71    72    73    74    75    76    47    55    57    60    48    49    50    51  
   43    44    62    68    69    73    47    48  
   44    45    46    52    53    54    62    68    69    73    47    55    56    65    57    58    59    60    61    48    49    50    51  
   45    46    52    53    54    62    63    64    68    47    55    57    60    48    49    50    51  
   46    52    53    54    62    47    48  
   52    53    54    62    47    48  
   55    56    65    66    67    57    58    59    60    61    48    49    50    51    52    68  
   49    50    51    52    55    57    60    68  
   50    51  
   51  
    0  
   53    54    62    63    64    68    69    73  
   54    62    63    64    68  
   62    63    64    68  
   56    65    66    67    57    58    59    60    61  
   65    66    67    57    60  
   58    59    60    61    65  
   59    60  
   60  
   61    65  
    0  
   63    64    68    69    70    71    72    73    74    75    76  
   64    68    69    73  
   68    69    73  
   66    67  
   67  
    0  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   59   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   67   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   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   268.000  1.529
   33    55   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    68   268.000  1.529
   43    44   268.000  1.529
   43    47   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   268.000  1.529
   68    73   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   47    55   268.000  1.529
   47    57   317.000  1.522
   47    60   320.000  1.410
   55    56   340.000  1.090
   55    65   317.000  1.522
   65    66   570.000  1.229
   65    67   340.000  1.090
   57    58   570.000  1.229
   57    59   340.000  1.090
   60    61   553.000  0.945
   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    65    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    68    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    58.35000  112.70000
   41    43    47    58.35000  112.70000
   41    43    48    58.35000  112.70000
   41    68    62    58.35000  112.70000
   41    68    69    58.35000  112.70000
   41    68    73    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    47    55    58.35000  112.70000
   43    47    57    63.00000  111.10000
   43    47    60    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    62    58.35000  112.70000
   46    44    45    33.00000  107.80000
   52    44    45    37.50000  110.70000
   52    44    46    37.50000  110.70000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    68    58.35000  112.70000
   54    52    53    33.00000  107.80000
   62    52    53    37.50000  110.70000
   62    52    54    37.50000  110.70000
   62    68    69    58.35000  112.70000
   62    68    73    58.35000  112.70000
   64    62    63    33.00000  107.80000
   68    41    42    37.50000  110.70000
   68    41    43    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    72    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    68    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    55    56    37.50000  110.70000
   47    55    65    63.00000  111.10000
   47    57    58    80.00000  120.40000
   47    57    59    35.00000  115.00000
   47    60    61    55.00000  108.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    65    66    80.00000  120.40000
   55    65    67    35.00000  115.00000
   65    55    56    35.00000  109.50000
   67    65    66    35.00000  123.00000
   57    47    55    63.00000  111.10000
   59    57    58    35.00000  123.00000
   60    47    55    50.00000  109.50000
   60    47    57    90.00000  109.61100
   48    43    44    58.35000  112.70000
   48    43    47    58.35000  112.70000
   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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    65   0.56750  1.0 1.0
   29    33    55    65  -0.07550 -1.0 2.0
   29    33    55    65   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    68   0.56750  1.0 1.0
   33    38    41    68  -0.07550 -1.0 2.0
   33    38    41    68   0.20000  1.0 3.0
   33    55    65    66   0.30150 -1.0 2.0
   33    55    65    67   0.74550  1.0 1.0
   33    55    65    67  -0.00500 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    55    47   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    65  -0.11250  1.0 3.0
   38    33    55    47   0.56750  1.0 1.0
   38    33    55    47  -0.07550 -1.0 2.0
   38    33    55    47   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    65  -0.95700  1.0 1.0
   38    33    55    65  -0.18200 -1.0 2.0
   38    33    55    65   0.29450  1.0 3.0
   38    41    43    44   0.56750  1.0 1.0
   38    41    43    44  -0.07550 -1.0 2.0
   38    41    43    44   0.20000  1.0 3.0
   38    41   -43    47   0.56750  1.0 1.0
   38    41   -43    47  -0.07550 -1.0 2.0
   38    41   -43    47   0.20000  1.0 3.0
   38    41    43    48   0.56750  1.0 1.0
   38    41    43    48  -0.07550 -1.0 2.0
   38    41    43    48   0.20000  1.0 3.0
   38    41    68    62   0.56750  1.0 1.0
   38    41    68    62  -0.07550 -1.0 2.0
   38    41    68    62   0.20000  1.0 3.0
   38    41    68    69   0.56750  1.0 1.0
   38    41    68    69  -0.07550 -1.0 2.0
   38    41    68    69   0.20000  1.0 3.0
   38    41    68    73   0.56750  1.0 1.0
   38    41    68    73  -0.07550 -1.0 2.0
   38    41    68    73   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    68   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    68   0.15000  1.0 3.0
   41    43    44    45   0.15000  1.0 3.0
   41    43    44    46   0.15000  1.0 3.0
   41    43    44    52   0.56750  1.0 1.0
   41    43    44    52  -0.07550 -1.0 2.0
   41    43    44    52   0.20000  1.0 3.0
   41    43    47    55   0.56750  1.0 1.0
   41    43    47    55  -0.07550 -1.0 2.0
   41    43    47    55   0.20000  1.0 3.0
   41    43    47    57  -0.95700  1.0 1.0
   41    43    47    57  -0.18200 -1.0 2.0
   41    43    47    57   0.29450  1.0 3.0
   41    43    47    60   0.86500  1.0 1.0
   41    43    47    60  -0.17500 -1.0 2.0
   41    43    47    60   0.20800  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50   0.15000  1.0 3.0
   41    43    48    51   0.15000  1.0 3.0
   41    68    69    70   0.15000  1.0 3.0
   41    68    69    71   0.15000  1.0 3.0
   41    68    69    72   0.15000  1.0 3.0
   41    68    73    74   0.15000  1.0 3.0
   41    68    73    75   0.15000  1.0 3.0
   41    68    73    76   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    68    62   0.15000  1.0 3.0
   42    41    68    69   0.15000  1.0 3.0
   42    41    68    73   0.15000  1.0 3.0
   43    41    68    62   0.56750  1.0 1.0
   43    41    68    62  -0.07550 -1.0 2.0
   43    41    68    62   0.20000  1.0 3.0
   43    41    68    69   0.56750  1.0 1.0
   43    41    68    69  -0.07550 -1.0 2.0
   43    41    68    69   0.20000  1.0 3.0
   43    41    68    73   0.56750  1.0 1.0
   43    41    68    73  -0.07550 -1.0 2.0
   43    41    68    73   0.20000  1.0 3.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    54   0.15000  1.0 3.0
   43    44   -52    62   0.56750  1.0 1.0
   43    44   -52    62  -0.07550 -1.0 2.0
   43    44   -52    62   0.20000  1.0 3.0
   43    47   -55    33   0.56750  1.0 1.0
   43    47   -55    33  -0.07550 -1.0 2.0
   43    47   -55    33   0.20000  1.0 3.0
   43    47    55    56   0.15000  1.0 3.0
   43    47    55    65  -0.95700  1.0 1.0
   43    47    55    65  -0.18200 -1.0 2.0
   43    47    55    65   0.29450  1.0 3.0
   43    47    57    58   0.30150 -1.0 2.0
   43    47    57    59   0.74550  1.0 1.0
   43    47    57    59  -0.00500 -1.0 2.0
   43    47    60    61  -0.11600  1.0 1.0
   43    47    60    61  -0.09450 -1.0 2.0
   43    47    60    61   0.21250  1.0 3.0
   44    43    47    55   0.56750  1.0 1.0
   44    43    47    55  -0.07550 -1.0 2.0
   44    43    47    55   0.20000  1.0 3.0
   44    43    47    57  -0.95700  1.0 1.0
   44    43    47    57  -0.18200 -1.0 2.0
   44    43    47    57   0.29450  1.0 3.0
   44    43    47    60   0.86500  1.0 1.0
   44    43    47    60  -0.17500 -1.0 2.0
   44    43    47    60   0.20800  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    62    63   0.15000  1.0 3.0
   44    52    62    64   0.15000  1.0 3.0
   44    52    62    68   0.56750  1.0 1.0
   44    52    62    68  -0.07550 -1.0 2.0
   44    52    62    68   0.20000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    54   0.15000  1.0 3.0
   45    44    52    62   0.15000  1.0 3.0
   46    44    52    53   0.15000  1.0 3.0
   46    44    52    54   0.15000  1.0 3.0
   46    44    52    62   0.15000  1.0 3.0
   52    62   -68    41   0.56750  1.0 1.0
   52    62   -68    41  -0.07550 -1.0 2.0
   52    62   -68    41   0.20000  1.0 3.0
   52    62    68    69   0.56750  1.0 1.0
   52    62    68    69  -0.07550 -1.0 2.0
   52    62    68    69   0.20000  1.0 3.0
   52    62    68    73   0.56750  1.0 1.0
   52    62    68    73  -0.07550 -1.0 2.0
   52    62    68    73   0.20000  1.0 3.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    64   0.15000  1.0 3.0
   53    52    62    68   0.15000  1.0 3.0
   54    52    62    63   0.15000  1.0 3.0
   54    52    62    64   0.15000  1.0 3.0
   54    52    62    68   0.15000  1.0 3.0
   62    68    69    70   0.15000  1.0 3.0
   62    68    69    71   0.15000  1.0 3.0
   62    68    69    72   0.15000  1.0 3.0
   62    68    73    74   0.15000  1.0 3.0
   62    68    73    75   0.15000  1.0 3.0
   62    68    73    76   0.15000  1.0 3.0
   63    62    68    41   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    73   0.15000  1.0 3.0
   64    62    68    41   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    73   0.15000  1.0 3.0
   68    41   -43    44   0.56750  1.0 1.0
   68    41   -43    44  -0.07550 -1.0 2.0
   68    41   -43    44   0.20000  1.0 3.0
   68    41    43    47   0.56750  1.0 1.0
   68    41    43    47  -0.07550 -1.0 2.0
   68    41    43    47   0.20000  1.0 3.0
   68    41    43    48   0.56750  1.0 1.0
   68    41    43    48  -0.07550 -1.0 2.0
   68    41    43    48   0.20000  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   73    68    69    70   0.15000  1.0 3.0
   73    68    69    71   0.15000  1.0 3.0
   73    68    69    72   0.15000  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43    44    52   0.56750  1.0 1.0
   47    43    44    52  -0.07550 -1.0 2.0
   47    43    44    52   0.20000  1.0 3.0
   47    43    48    49   0.15000  1.0 3.0
   47    43    48    50   0.15000  1.0 3.0
   47    43    48    51   0.15000  1.0 3.0
   47    55    65    66   0.30150 -1.0 2.0
   47    55    65    67   0.74550  1.0 1.0
   47    55    65    67  -0.00500 -1.0 2.0
   55    33    38    39   0.15000  1.0 3.0
   55    33    38    40   0.15000  1.0 3.0
   55    33   -38    41   0.56750  1.0 1.0
   55    33   -38    41  -0.07550 -1.0 2.0
   55    33   -38    41   0.20000  1.0 3.0
   55    47    57    58   0.30150 -1.0 2.0
   55    47    57    59   0.74550  1.0 1.0
   55    47    57    59  -0.00500 -1.0 2.0
   55    47    60    61  -0.11600  1.0 1.0
   55    47    60    61  -0.09450 -1.0 2.0
   55    47    60    61   0.21250  1.0 3.0
   56    55    65    66   0.00000  1.0 1.0
   56    55    65    67   0.00000  1.0 1.0
   57    47    55    33  -0.95700  1.0 1.0
   57    47    55    33  -0.18200 -1.0 2.0
   57    47    55    33   0.29450  1.0 3.0
   57    47    55    56  -0.11250  1.0 3.0
   57    47    55    65   0.11950  1.0 1.0
   57    47    55    65   0.20300 -1.0 2.0
   57    47    55    65  -0.70800  1.0 3.0
   57    47    60    61   0.91850  1.0 1.0
   57    47    60    61   0.57950  1.0 3.0
   60    47    55    33   0.86500  1.0 1.0
   60    47    55    33  -0.17500 -1.0 2.0
   60    47    55    33   0.20800  1.0 3.0
   60    47    55    56   0.23400  1.0 3.0
   60    47    55    65  -0.09450  1.0 1.0
   60    47    55    65  -1.12950 -1.0 2.0
   60    47    55    65   0.54000  1.0 3.0
   60    47    57    58   0.30150 -1.0 2.0
   60    47    57    59   0.00000  1.0 1.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    46   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    47    55   0.56750  1.0 1.0
   48    43    47    55  -0.07550 -1.0 2.0
   48    43    47    55   0.20000  1.0 3.0
   48    43    47    57  -0.95700  1.0 1.0
   48    43    47    57  -0.18200 -1.0 2.0
   48    43    47    57   0.29450  1.0 3.0
   48    43    47    60   0.86500  1.0 1.0
   48    43    47    60  -0.17500 -1.0 2.0
   48    43    47    60   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   55    67    65    66  10.50000 -1.0 2.0
   47    59    57    58  10.50000 -1.0 2.0
END
