* LIGAND DATABASE FILE (OPLS2005)
*
001      92    91    162    231     469
    1     0 S   NP   _N1_     1    28.25411    93.77393   -21.11346
    2     1 S   H    _HN1     2     1.02772    92.28600   -49.83840
    3     1 S   H    _H1_     3     1.02986    92.67848    58.58079
    4     1 S   H    _H2_     4     1.02840    26.54492  -177.50323
    5     1 S   CT   _CA1     5     1.50165   137.36329  -177.15119
    6     5 S   HC   _HA1     6     1.09509   104.98416    58.54994
    7     5 S   CO3  _C1_     7     1.53663   112.61057   -61.04102
    8     7 S   O2Z  _O11     8     1.26299   115.00672   -41.17529
    9     7 S   O2Z  _O12     9     1.26280   114.81647   137.90162
   10     5 S   CT   _CB1    10     1.53044   107.35655   175.81769
   11    10 S   HC   HB11    11     1.09792   108.53816   -56.79648
   12    10 S   HC   HB12    12     1.09825   110.43464    59.18895
   13    10 S   CT   _CG1    13     1.53081   113.31120  -178.66558
   14    13 S   HC   HG11    14     1.09604   109.89802   -69.43245
   15    13 S   HC   HG12    15     1.09502   110.50586    49.47063
   16    13 S   C    _CD1    16     1.51859   112.02352   169.20063
   17    16 S   O    _OE1    17     1.22825   122.87377   -22.92029
   18    16 S   N    _N2_    18     1.38411   112.20852   158.88789
   19    18 S   H    _HN2    19     1.01747   119.16955    -0.29871
   20    18 S   CT1  _CA2    20     1.46137   123.54561  -178.98201
   21    20 S   HC   _HA2    21     1.09729   109.53133    -2.11877
   22    20 S   C    _C2_    22     1.53263   107.76814  -118.01722
   23    22 S   O    _O2_    23     1.23025   122.50037  -136.33922
   24    20 S   CT   _CB2    32     1.53474   111.84191   119.91777
   25    24 S   HC   HB21    33     1.09346   109.25352    59.64779
   26    24 S   HC   HB22    34     1.09435   109.56818   177.92359
   27    22 S   N    _N3_    24     1.38516   113.28707    50.38391
   28    27 S   H    _HN3    25     1.01507   119.29774    -2.54576
   29    24 S   S    _SG2    35     1.82920   111.62124   -61.24061
   30    27 S   CT   _CA3    26     1.45344   122.82632   173.02647
   31    30 S   HC   HA31    27     1.09565   108.37093    39.73890
   32    30 S   HC   HA32    28     1.09471   107.21638   156.73701
   33    29 S   CT   _C5_    36     1.86765   101.94006  -176.31996
   34    33 S   OM   _O42    37     1.31773   107.86444  -168.63233
   35    30 S   CO3  _C3_    29     1.53213   114.32740   -82.72392
   36    35 S   O2Z  _O31    30     1.26366   116.33161   -20.45106
   37    35 S   O2Z  _O32    31     1.26506   114.33082   160.03744
   38    33 S   CT   _C6_    38     1.54701   113.61667   -46.56109
   39    38 S   HC   _H7_    39     1.09852   109.11918    72.69118
   40    38 S   HC   _H8_    40     1.09964   111.47645  -170.27110
   41    33 S   S    _S1_    88     1.87413   106.44657    75.15830
   42    38 S   CO4  _C7_    41     1.53561   117.89276   -48.71739
   43    42 S   O    _O33    42     1.22893   123.30509   -23.99965
   44    41 S   CT   _C4_    89     1.81364   101.90155  -176.70420
   45    44 S   HC   _H4_    90     1.09375   108.49825  -173.58656
   46    44 S   HC   _H5_    91     1.09249   110.79123    68.30198
   47    44 S   HC   _H6_    92     1.09254   111.51893   -54.78758
   48    42 S   CT   _C8_    43     1.51602   115.03444   158.57192
   49    48 S   HC   _H9_    44     1.09497   108.85054    64.97701
   50    48 S   HC   _H10    45     1.09504   108.28821   -51.99115
   51    48 S   CO4  _C9_    46     1.51279   115.05129  -173.89035
   52    51 S   O    _O34    47     1.23152   121.51805   -62.79097
   53    51 S   CT   _C10    48     1.51218   117.41961   119.20437
   54    53 S   HC   _H11    49     1.09465   108.48127   175.60332
   55    53 S   HC   _H12    50     1.09477   107.51311    58.75753
   56    53 S   CO4  _C11    51     1.51210   114.54055   -63.46588
   57    56 S   O    _O35    52     1.23130   121.89847   -23.64055
   58    56 S   CT   _C12    53     1.51842   117.51835   158.71607
   59    58 S   HC   _H13    54     1.09649   107.64533  -157.22330
   60    58 S   HC   _H14    55     1.09605   107.85899   -42.21948
   61    58 S   CT   _C13    56     1.52793   113.34097    80.78413
   62    61 S   HC   _H3_    57     1.09680   108.02052   175.75268
   63    61 S   CT   _C14    58     1.53032   112.82863    53.85035
   64    63 S   HC   _H15    59     1.09567   111.28707   -74.08449
   65    63 S   HC   _H16    60     1.09578   109.44882    46.53767
   66    61 S   OH   _O41    86     1.42624   108.58521   -68.61032
   67    66 S   HO   _H27    87     0.97415   107.23799  -175.63166
   68    63 S   CO4  _C15    61     1.52145   112.29852   166.30185
   69    68 S   O    _O36    62     1.23091   122.37144    22.95338
   70    68 S   CT   _C16    63     1.51065   116.50623  -158.62991
   71    70 S   HC   _H17    64     1.09406   107.87619   -45.99826
   72    70 S   HC   _H18    65     1.09483   109.21403  -162.93054
   73    70 S   CO4  _C17    66     1.51118   113.52694    76.06563
   74    73 S   O    _O37    67     1.23019   121.46212    25.52339
   75    73 S   CT   _C18    68     1.51125   116.17263  -154.36737
   76    75 S   HC   _H19    69     1.09497   109.27030   -47.76304
   77    75 S   HC   _H20    70     1.09331   107.56922    69.52271
   78    75 S   CO4  _C19    71     1.51139   114.74105  -168.40682
   79    78 S   O    _O38    72     1.23174   121.33620    57.77096
   80    78 S   CT   _C20    73     1.51157   117.67166  -122.32423
   81    80 S   HC   _H21    74     1.09579   107.54010  -163.14055
   82    80 S   HC   _H22    75     1.09449   108.98097   -46.47993
   83    80 S   CO4  _C21    76     1.51151   114.57863    76.25108
   84    83 S   O    _O39    77     1.23051   122.12884   -11.60023
   85    83 S   CT   _C22    78     1.51312   116.47747   171.32027
   86    85 S   HC   _H23    79     1.09547   109.43446   -29.52824
   87    85 S   HC   _H24    80     1.09428   108.15721    87.57961
   88    85 S   C    _C23    81     1.50804   112.78294  -148.44124
   89    88 S   O    _O40    82     1.22855   122.04677    66.59412
   90    88 S   N    _N4_    83     1.37158   114.31172  -112.05105
   91    90 S   H    _H25    84     1.01560   123.30852     0.41684
   92    90 S   H    _H26    85     1.01738   119.81442   176.65005
  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   8   5   4   3
  12   6   2   1   1  10   5   4   5   7   4   3   2   1   1   8
   4   3   7   4   8   4   3   8   4  10   5   4   9   6  10   5
   4   2   1   7   4   8   4   3   7   4   8   4   3   7   4   8
   4   3   7   4   7   4   3   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    48    41    44    45    46    47  
   38    39    40    42    41    44  
   36    37  
   37  
    0  
   39    40    42    43    48    49    50    51    41    44  
   40    42    43    48    41  
   42    43    48    41  
   44    45    46    47    42  
   43    48    49    50    51    52    53  
   48    49    50    51  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    53    54    55    56  
   50    51    52    53  
   51    52    53  
   52    53    54    55    56    57    58  
   53    54    55    56  
   54    55    56    57    58    59    60    61  
   55    56    57    58  
   56    57    58  
   57    58    59    60    61    62    63    66  
   58    59    60    61  
   59    60    61    62    63    64    65    68    66    67  
   60    61    62    63    66  
   61    62    63    66  
   62    63    64    65    68    69    70    66    67  
   63    64    65    68    66    67  
   64    65    68    69    70    71    72    73    66    67  
   65    68    69    70    66  
   68    69    70    66  
   67    68  
    0  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73    74    75    76    77    78  
   72    73    74    75  
   73    74    75  
   74    75    76    77    78    79    80  
   75    76    77    78  
   76    77    78    79    80    81    82    83  
   77    78    79    80  
   78    79    80  
   79    80    81    82    83    84    85  
   80    81    82    83  
   81    82    83    84    85    86    87    88  
   82    83    84    85  
   83    84    85  
   84    85    86    87    88    89    90  
   85    86    87    88  
   86    87    88    89    90    91    92  
   87    88    89    90  
   88    89    90  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    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  -0.005000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.012500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   90   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   91   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   92   0.5000   0.0300   0.380000   1.5900   1.4000   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   268.000  1.529
   33    41   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.522
   51    52   570.000  1.229
   51    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   317.000  1.522
   56    57   570.000  1.229
   56    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    66   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   317.000  1.522
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.522
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.522
   78    79   570.000  1.229
   78    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   317.000  1.522
   83    84   570.000  1.229
   83    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   317.000  1.522
   88    89   570.000  1.229
   88    90   490.000  1.335
   90    91   434.000  1.010
   90    92   434.000  1.010
   66    67   553.000  0.945
   41    44   222.000  1.810
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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  111.63000
   29    33    41    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    41    44    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    51    75.00000  107.99600
   48    42    43    80.00000  120.40000
   48    51    52    80.00000  120.40000
   48    51    53    70.00000  116.00000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    75.00000  107.99600
   53    51    52    80.00000  120.40000
   53    56    57    80.00000  120.40000
   53    56    58    70.00000  116.00000
   55    53    54    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    35.00000  109.50000
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    63.00000  111.10000
   58    56    57    80.00000  120.40000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    66    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    68    63.00000  111.10000
   61    66    67    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    68    69    80.00000  120.40000
   63    68    70    70.00000  116.00000
   65    63    64    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    75.00000  107.99600
   70    68    69    80.00000  120.40000
   70    73    74    80.00000  120.40000
   70    73    75    70.00000  116.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    75.00000  107.99600
   75    73    74    80.00000  120.40000
   75    78    79    80.00000  120.40000
   75    78    80    70.00000  116.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    75.00000  107.99600
   80    78    79    80.00000  120.40000
   80    83    84    80.00000  120.40000
   80    83    85    70.00000  116.00000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   83    85    86    35.00000  109.50000
   83    85    87    35.00000  109.50000
   83    85    88    70.00000  107.85200
   85    83    84    80.00000  120.40000
   85    88    89    80.00000  120.40000
   85    88    90    70.00000  116.60000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   88    90    91    35.00000  119.80000
   88    90    92    35.00000  119.80000
   90    88    89    80.00000  122.90000
   92    90    91    35.00000  120.00000
   66    61    62    35.00000  109.50000
   66    61    63    50.00000  109.50000
   41    33    34    85.00000  114.68000
   41    33    38    75.00000  111.63000
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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   0.01700  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    41   0.08500  1.0 1.0
   24    29    33    41  -0.53150 -1.0 2.0
   24    29    33    41   0.48050  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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    44   0.08500  1.0 1.0
   29    33    41    44  -0.53150 -1.0 2.0
   29    33    41    44   0.48050  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    41    44    45   0.32350  1.0 3.0
   33    41    44    46   0.32350  1.0 3.0
   33    41    44    47   0.32350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    41    44   0.13850  1.0 1.0
   34    33    41    44  -1.34450 -1.0 2.0
   34    33    41    44   0.57400  1.0 3.0
   38    33    41    44   0.01700  1.0 1.0
   38    33    41    44  -0.23550 -1.0 2.0
   38    33    41    44   0.21350  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.00000  1.0 1.0
   38    42    48    51   0.65300  1.0 1.0
   38    42    48    51  -0.03850 -1.0 2.0
   38    42    48    51   0.33900  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    48   0.00000  1.0 1.0
   42    48    51    52   0.30150 -1.0 2.0
   42    48    51    53   0.65300  1.0 1.0
   42    48    51    53  -0.03850 -1.0 2.0
   42    48    51    53   0.33900  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    51   0.30150 -1.0 2.0
   48    51    53    54   0.00000  1.0 1.0
   48    51    53    55   0.00000  1.0 1.0
   48    51    53    56   0.65300  1.0 1.0
   48    51    53    56  -0.03850 -1.0 2.0
   48    51    53    56   0.33900  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    53   0.00000  1.0 1.0
   51    53    56    57   0.30150 -1.0 2.0
   51    53    56    58   0.65300  1.0 1.0
   51    53    56    58  -0.03850 -1.0 2.0
   51    53    56    58   0.33900  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.30150 -1.0 2.0
   53    56    58    59   0.00000  1.0 1.0
   53    56    58    60   0.00000  1.0 1.0
   53    56    58    61   0.60050  1.0 1.0
   53    56    58    61   0.05600 -1.0 2.0
   53    56    58    61   0.26150  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    58   0.00000  1.0 1.0
   56    58    61    62  -0.11250  1.0 3.0
   56    58    61    63  -0.95700  1.0 1.0
   56    58    61    63  -0.18200 -1.0 2.0
   56    58    61    63   0.29450  1.0 3.0
   56    58    61    66  -0.09450  1.0 1.0
   56    58    61    66  -1.12950 -1.0 2.0
   56    58    61    66   0.54000  1.0 3.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    60   0.00000  1.0 1.0
   57    56    58    61   0.30150 -1.0 2.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    65   0.15000  1.0 3.0
   58    61    63    68  -0.95700  1.0 1.0
   58    61    63    68  -0.18200 -1.0 2.0
   58    61    63    68   0.29450  1.0 3.0
   58    61    66    67  -0.11600  1.0 1.0
   58    61    66    67  -0.09450 -1.0 2.0
   58    61    66    67   0.21250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    66   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    66   0.23400  1.0 3.0
   61    63    68    69   0.30150 -1.0 2.0
   61    63    68    70   0.60050  1.0 1.0
   61    63    68    70   0.05600 -1.0 2.0
   61    63    68    70   0.26150  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    68  -0.11250  1.0 3.0
   62    61    66    67   0.19450  1.0 3.0
   63    61    66    67  -0.11600  1.0 1.0
   63    61    66    67  -0.09450 -1.0 2.0
   63    61    66    67   0.21250  1.0 3.0
   63    68    70    71   0.00000  1.0 1.0
   63    68    70    72   0.00000  1.0 1.0
   63    68    70    73   0.65300  1.0 1.0
   63    68    70    73  -0.03850 -1.0 2.0
   63    68    70    73   0.33900  1.0 3.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   65    63    68    69   0.00000  1.0 1.0
   65    63    68    70   0.00000  1.0 1.0
   68    70    73    74   0.30150 -1.0 2.0
   68    70    73    75   0.65300  1.0 1.0
   68    70    73    75  -0.03850 -1.0 2.0
   68    70    73    75   0.33900  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    70    73   0.30150 -1.0 2.0
   70    73    75    76   0.00000  1.0 1.0
   70    73    75    77   0.00000  1.0 1.0
   70    73    75    78   0.65300  1.0 1.0
   70    73    75    78  -0.03850 -1.0 2.0
   70    73    75    78   0.33900  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    75   0.00000  1.0 1.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    75   0.00000  1.0 1.0
   73    75    78    79   0.30150 -1.0 2.0
   73    75    78    80   0.65300  1.0 1.0
   73    75    78    80  -0.03850 -1.0 2.0
   73    75    78    80   0.33900  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.30150 -1.0 2.0
   75    78    80    81   0.00000  1.0 1.0
   75    78    80    82   0.00000  1.0 1.0
   75    78    80    83   0.65300  1.0 1.0
   75    78    80    83  -0.03850 -1.0 2.0
   75    78    80    83   0.33900  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   77    75    78    79   0.00000  1.0 1.0
   77    75    78    80   0.00000  1.0 1.0
   78    80    83    84   0.30150 -1.0 2.0
   78    80    83    85   0.65300  1.0 1.0
   78    80    83    85  -0.03850 -1.0 2.0
   78    80    83    85   0.33900  1.0 3.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    80    83   0.30150 -1.0 2.0
   80    83    85    86   0.00000  1.0 1.0
   80    83    85    87   0.00000  1.0 1.0
   80    83    85    88   0.65300  1.0 1.0
   80    83    85    88  -0.03850 -1.0 2.0
   80    83    85    88   0.33900  1.0 3.0
   81    80    83    84   0.00000  1.0 1.0
   81    80    83    85   0.00000  1.0 1.0
   82    80    83    84   0.00000  1.0 1.0
   82    80    83    85   0.00000  1.0 1.0
   83    85    88    89   0.30150 -1.0 2.0
   83    85    88    90   0.00000  1.0 1.0
   84    83    85    86   0.00000  1.0 1.0
   84    83    85    87   0.00000  1.0 1.0
   84    83    85    88   0.30150 -1.0 2.0
   85    88    90    91   2.45000 -1.0 2.0
   85    88    90    92   2.45000 -1.0 2.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   87    85    88    89   0.00000  1.0 1.0
   87    85    88    90   0.00000  1.0 1.0
   89    88    90    91   2.45000 -1.0 2.0
   89    88    90    92   2.45000 -1.0 2.0
   66    61    63    64   0.23400  1.0 3.0
   66    61    63    65   0.23400  1.0 3.0
   66    61    63    68  -0.09450  1.0 1.0
   66    61    63    68  -1.12950 -1.0 2.0
   66    61    63    68   0.54000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
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
   38    48    42    43  10.50000 -1.0 2.0
   48    53    51    52  10.50000 -1.0 2.0
   53    58    56    57  10.50000 -1.0 2.0
   63    70    68    69  10.50000 -1.0 2.0
   70    75    73    74  10.50000 -1.0 2.0
   75    80    78    79  10.50000 -1.0 2.0
   80    85    83    84  10.50000 -1.0 2.0
   85    90    88    89  10.50000 -1.0 2.0
   92    88    90    91   1.00000 -1.0 2.0
END
