* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    161    231     463
    1     0 S   NP   _N1_     1    30.03939    89.38014   -23.13750
    2     1 S   H    _HN1     2     1.02807    11.22104   -31.22755
    3     1 S   H    _H1_     3     1.02775   118.74027   -44.58614
    4     1 S   H    _H2_     4     1.03224   103.93298    74.95617
    5     1 S   CT   _CA1     5     1.49994   102.69671  -169.15759
    6     5 S   HC   _HA1     6     1.09570   105.15296    67.71271
    7     5 S   CO3  _C1_     7     1.53759   112.47015   -52.64175
    8     7 S   O2Z  _O11     8     1.26353   115.09983   -47.48399
    9     7 S   O2Z  _O12     9     1.26242   114.89074   131.71366
   10     5 S   CT   _CB1    10     1.52995   107.59686  -174.29817
   11    10 S   HC   HB11    11     1.09796   109.51765   -47.44027
   12    10 S   HC   HB12    12     1.09766   110.56553    69.24153
   13    10 S   CT   _CG1    13     1.52907   112.63604  -168.26745
   14    13 S   HC   HG11    14     1.09525   111.17198   -61.27965
   15    13 S   HC   HG12    15     1.09602   110.76370    57.78730
   16    13 S   C    _CD1    16     1.51414   109.74791   176.90668
   17    16 S   O    _OE1    17     1.22892   121.59296   -82.28999
   18    16 S   N    _N2_    18     1.38316   113.19057    95.55953
   19    18 S   H    _HN2    19     1.01565   119.38152     6.10676
   20    18 S   CT1  _CA2    20     1.45722   122.66750   179.77794
   21    20 S   HC   _HA2    21     1.09583   108.82591    22.60687
   22    20 S   C    _C2_    22     1.52928   107.31459   -94.04761
   23    22 S   O    _O2_    23     1.22939   122.89346   -27.41981
   24    20 S   CT   _CB2    32     1.53259   112.58944   145.89826
   25    24 S   HC   HB21    33     1.09660   109.82210    65.01224
   26    24 S   HC   HB22    34     1.09578   110.70315  -177.83988
   27    22 S   N    _N3_    24     1.38620   112.38046   155.45795
   28    27 S   H    _HN3    25     1.01486   119.77244     0.88581
   29    24 S   S    _SG2    35     1.82808   114.74212   -54.84413
   30    27 S   CT   _CA3    26     1.45460   122.84968   175.25897
   31    30 S   HC   HA31    27     1.09536   108.98726    29.71971
   32    30 S   HC   HA32    28     1.09479   107.16865   146.87808
   33    29 S   CT   _C22    36     1.82777   100.16447   -61.02981
   34    33 S   HC   _H3_    37     1.09521   108.38716   -53.88933
   35    33 S   HC   _H4_    38     1.08895   107.08740    62.83629
   36    30 S   CO3  _C3_    29     1.53055   113.54112   -93.30510
   37    36 S   O2Z  _O31    30     1.26379   115.78200   -31.26428
   38    36 S   O2Z  _O32    31     1.26404   114.70186   149.59505
   39    33 S   CT   _C12    39     1.53477   110.18471  -176.15559
   40    39 S   HC   _H31    40     1.09413   112.52160   -36.07477
   41    39 S   CO4  _C4_    41     1.51019   109.04005    85.08675
   42    41 S   O    _O21    42     1.22097   125.91721   -79.75956
   43    41 S   OS   _O23    43     1.36599   109.77275    98.40132
   44    43 S   CT   _C13    44     1.44277   110.11109     1.21740
   45    44 S   HC   _H32    45     1.09383   106.52501   -94.65461
   46    39 S   CT   _C14    46     1.53910   116.22610  -162.40590
   47    46 S   HC   _H33    47     1.10133   107.51098   166.14137
   48    44 S   CM   _C5_    79     1.50112   106.84022   145.27026
   49    48 S   HC   _H28    80     1.08992   114.31901   -55.55203
   50    46 S   CT   _C23    48     1.54258   117.26657    44.19626
   51    50 S   HC   _H54    49     1.09746   108.35198   -67.82076
   52    48 S   CM   _C9_    81     1.34771   127.77489   120.42060
   53    50 S   CT   _C20    50     1.55155   114.31993    53.32343
   54    53 S   HC   _H48    51     1.09769   109.39715   174.31090
   55    53 S   HC   _H49    52     1.09547   108.57092   -71.64819
   56    50 S   OS   _O26    65     1.44936   109.05556   174.79832
   57    52 S   CT   _C17    82     1.50400   124.81939     4.93006
   58    57 S   HC   _H40    83     1.09544   110.13914   133.45198
   59    57 S   HC   _H41    84     1.09450   110.34233  -107.06169
   60    57 S   HC   _H42    85     1.09227   113.32855    14.48204
   61    52 S   CT   _C21    86     1.50856   120.18722  -174.98312
   62    61 S   HC   _H50    87     1.09422   110.51339  -123.83582
   63    61 S   HC   _H51    88     1.09508   112.20982    -3.15412
   64    53 S   CM   _C10    53     1.52262   116.71692    52.45310
   65    56 S   CO4  _C11    66     1.36090   116.87917   155.39707
   66    65 S   O    _O22    67     1.22154   126.97053    -9.76320
   67    61 S   OH   _O25    89     1.42151   109.23317   116.78534
   68    67 S   HO   _H56    90     0.97222   107.02283   179.60534
   69    64 S   CM   _C7_    54     1.34809   119.85645  -115.45368
   70    69 S   HC   _H30    55     1.08934   118.04843     1.27380
   71    64 S   CT   _C18    61     1.50381   116.00179    67.32533
   72    71 S   HC   _H43    62     1.09399   110.53495   -76.95311
   73    71 S   HC   _H44    63     1.09496   110.24800    43.18113
   74    71 S   HC   _H45    64     1.09232   113.21055   161.93842
   75    65 S   CM   _C8_    68     1.48179   108.94611   167.59372
   76    69 S   CT   _C19    56     1.49427   128.50611   179.70658
   77    76 S   HC   _H46    57     1.09125   113.97945    -2.84324
   78    76 S   HC   _H47    58     1.09490   109.27330  -123.89259
   79    75 S   CM   _C6_    69     1.34477   119.90205  -124.58641
   80    79 S   HC   _H29    70     1.08918   117.87584  -178.38662
   81    75 S   CT   _C16    75     1.49534   117.35166    56.69024
   82    81 S   HC   _H37    76     1.09432   110.87216   -63.15010
   83    81 S   HC   _H38    77     1.09395   109.99050    57.44879
   84    81 S   HC   _H39    78     1.09523   112.03403   176.83096
   85    76 S   OH   _O24    59     1.42179   108.24160   118.17357
   86    85 S   HO   _H55    60     0.97305   106.77553   174.16561
   87    79 S   CT   _C15    71     1.49607   128.10980     3.03622
   88    87 S   HC   _H34    72     1.09409   109.89396  -112.14949
   89    87 S   HC   _H35    73     1.09493   109.37300   129.31371
   90    87 S   HC   _H36    74     1.09246   113.58278     9.68706
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   8  12   6  12   5  11
   3  11   6   9  12   5   4   6   7   3   2   1   4   3   2  10
   9   3   1   1  10   5   4   2   1   1  10   4   3   2   9   5
   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    53    56    48  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    48    49    52  
   45    46    47    50    51    53    56    48    49    52    57    61  
   46    47    50    48    49    52  
   47    50    51    53    54    55    64    56    65    48    49    52  
   50    51    53    56    48  
   49    52    57    58    59    60    61    62    63    67    50  
   52    57    61  
   51    53    54    55    64    69    71    56    65    66    75  
   53    54    55    64    56    65  
   57    58    59    60    61    62    63    67    68  
   54    55    64    69    70    76    71    72    73    74    56    65  
   55    64    69    71    56  
   64    69    71    56  
   65    66    75    79    81    64  
   58    59    60    61    62    63    67  
   59    60    61  
   60    61  
   61  
   62    63    67    68  
   63    67    68  
   67    68  
   69    70    76    77    78    85    71    72    73    74  
   66    75    79    80    87    81    82    83    84  
   75    79    81  
   68  
    0  
   70    76    77    78    85    86    71    72    73    74  
   76    77    78    85    71  
   72    73    74    76  
   73    74  
   74  
    0  
   79    80    87    88    89    90    81    82    83    84  
   77    78    85    86  
   78    85    86  
   85    86  
   80    87    88    89    90    81    82    83    84  
   87    88    89    90    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86  
    0  
   88    89    90  
   89    90  
   90  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   317.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    64   317.000  1.510
   64    69   549.000  1.340
   64    71   317.000  1.510
   69    70   340.000  1.080
   69    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    85   320.000  1.410
   85    86   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   56    65   214.000  1.327
   65    66   570.000  1.229
   65    75   320.000  1.462
   75    79   549.000  1.340
   75    81   317.000  1.510
   79    80   340.000  1.080
   79    87   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    57   317.000  1.510
   52    61   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   320.000  1.410
   67    68   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    85.00000  110.90400
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    49    35.00000  117.00000
   44    48    52    70.00000  124.00000
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    64    70.00000  112.02700
   50    56    65    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    64    69    70.00000  124.00000
   53    64    71    65.00000  117.92700
   55    53    54    33.00000  107.80000
   64    53    54    35.00000  109.50000
   64    53    55    35.00000  109.50000
   64    69    70    35.00000  120.00000
   64    69    76    70.00000  124.00000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    35.00000  109.50000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    85    90.00000  110.39200
   76    69    70    35.00000  117.00000
   76    85    86    55.00000  108.50000
   78    76    77    33.00000  107.80000
   85    76    77    35.00000  109.50000
   85    76    78    35.00000  109.50000
   71    64    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    65    66    83.00000  123.40000
   56    65    75    90.00000  111.29400
   65    75    79    65.00000  118.96000
   65    75    81    65.00000  116.34900
   75    65    66    80.00000  123.72100
   75    79    80    35.00000  120.00000
   75    79    87    70.00000  124.00000
   75    81    82    35.00000  109.50000
   75    81    83    35.00000  109.50000
   75    81    84    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    89    35.00000  109.50000
   79    87    90    35.00000  109.50000
   87    79    80    35.00000  117.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   81    75    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    70.00000  112.02700
   48    52    57    70.00000  124.00000
   48    52    61    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    60    35.00000  109.50000
   52    61    62    35.00000  109.50000
   52    61    63    35.00000  109.50000
   52    61    67    90.00000  110.39200
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    52    57    65.00000  117.92700
   61    67    68    55.00000  108.50000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.56750  1.0 1.0
   39    46    50    53  -0.07550 -1.0 2.0
   39    46    50    53   0.20000  1.0 3.0
   39    46    50    56   0.62750  1.0 1.0
   39    46    50    56  -0.30950 -1.0 2.0
   39    46    50    56   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.82050  1.0 1.0
   41    43    44    48   0.00600 -1.0 2.0
   41    43    44    48   0.04400  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    49   0.00000  1.0 1.0
   43    44    48    52   0.39000  1.0 1.0
   43    44    48    52  -0.05800 -1.0 2.0
   43    44    48    52  -0.55150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48    52    57   7.00000 -1.0 2.0
   44    48    52    61   7.00000 -1.0 2.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    49   0.33100  1.0 3.0
   45    44    48    52   0.00000  1.0 1.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    49   0.00000  1.0 1.0
   46    44    48    52   0.09850  1.0 1.0
   46    44    48    52   0.15250 -1.0 2.0
   46    44    48    52  -0.50650  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    64   0.34400  1.0 1.0
   46    50    53    64   0.09450 -1.0 2.0
   46    50    53    64   0.11100  1.0 3.0
   46    50    56    65  -0.25900  1.0 1.0
   46    50    56    65  -0.47000 -1.0 2.0
   46    50    56    65   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    64    69   0.09850  1.0 1.0
   50    53    64    69   0.15250 -1.0 2.0
   50    53    64    69  -0.50650  1.0 3.0
   50    53    64    71   0.46850  1.0 1.0
   50    53    64    71   0.08550 -1.0 2.0
   50    53    64    71   0.09800  1.0 3.0
   50    56    65    66   3.00000 -1.0 2.0
   50    56    65    75   2.00000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    64   0.15000  1.0 3.0
   51    50    56    65   0.08050  1.0 3.0
   53    50    56    65  -0.25900  1.0 1.0
   53    50    56    65  -0.47000 -1.0 2.0
   53    50    56    65   0.11750  1.0 3.0
   53    64    69    70   7.00000 -1.0 2.0
   53    64    69    76   7.00000 -1.0 2.0
   53    64    71    72   0.34800  1.0 3.0
   53    64    71    73   0.34800  1.0 3.0
   53    64    71    74   0.34800  1.0 3.0
   54    53    64    69   0.00000  1.0 1.0
   54    53    64    71   0.34800  1.0 3.0
   55    53    64    69   0.00000  1.0 1.0
   55    53    64    71   0.34800  1.0 3.0
   64    69    76    77   0.00000  1.0 1.0
   64    69    76    78   0.00000  1.0 1.0
   64    69    76    85   0.67800  1.0 1.0
   64    69    76    85   0.47050 -1.0 2.0
   64    69    76    85  -0.62500  1.0 3.0
   69    64    71    72   0.00000  1.0 1.0
   69    64    71    73   0.00000  1.0 1.0
   69    64    71    74   0.00000  1.0 1.0
   69    76    85    86  -0.07800  1.0 1.0
   69    76    85    86  -0.21500 -1.0 2.0
   69    76    85    86  -0.03150  1.0 3.0
   70    69    76    77   0.33100  1.0 3.0
   70    69    76    78   0.33100  1.0 3.0
   70    69    76    85   0.00000  1.0 1.0
   77    76    85    86   0.19450  1.0 3.0
   78    76    85    86   0.19450  1.0 3.0
   71    64    69    70   7.00000 -1.0 2.0
   71    64    69    76   7.00000 -1.0 2.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    64   0.61850  1.0 1.0
   56    50    53    64  -0.22750 -1.0 2.0
   56    50    53    64   0.15300  1.0 3.0
   56    65    75    79  -0.56150  1.0 1.0
   56    65    75    79   2.19150 -1.0 2.0
   56    65    75    81  -0.15000  1.0 1.0
   56    65    75    81   0.89550 -1.0 2.0
   56    65    75    81  -0.06900  1.0 3.0
   65    75    79    80   7.00000 -1.0 2.0
   65    75    79    87   7.00000 -1.0 2.0
   65    75    81    82   0.15000  1.0 3.0
   65    75    81    83   0.15000  1.0 3.0
   65    75    81    84   0.15000  1.0 3.0
   66    65    75    79   1.00000 -1.0 2.0
   66    65    75    81  -0.64400  1.0 1.0
   66    65    75    81   0.26850 -1.0 2.0
   75    79    87    88   0.00000  1.0 1.0
   75    79    87    89   0.00000  1.0 1.0
   75    79    87    90   0.00000  1.0 1.0
   79    75    81    82   0.00000  1.0 1.0
   79    75    81    83   0.00000  1.0 1.0
   79    75    81    84   0.00000  1.0 1.0
   80    79    87    88   0.33100  1.0 3.0
   80    79    87    89   0.33100  1.0 3.0
   80    79    87    90   0.33100  1.0 3.0
   81    75    79    80   7.00000 -1.0 2.0
   81    75    79    87   7.00000 -1.0 2.0
   48    44    46    39   0.34400  1.0 1.0
   48    44    46    39   0.09450 -1.0 2.0
   48    44    46    39   0.11100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    52    57    58   0.00000  1.0 1.0
   48    52    57    59   0.00000  1.0 1.0
   48    52    57    60   0.00000  1.0 1.0
   48    52    61    62   0.00000  1.0 1.0
   48    52    61    63   0.00000  1.0 1.0
   48    52    61    67   0.67800  1.0 1.0
   48    52    61    67   0.47050 -1.0 2.0
   48    52    61    67  -0.62500  1.0 3.0
   49    48    52    57   7.00000 -1.0 2.0
   49    48    52    61   7.00000 -1.0 2.0
   52    61    67    68  -0.07800  1.0 1.0
   52    61    67    68  -0.21500 -1.0 2.0
   52    61    67    68  -0.03150  1.0 3.0
   57    52    61    62   0.34800  1.0 3.0
   57    52    61    63   0.34800  1.0 3.0
   57    52    61    67   0.18000  1.0 1.0
   57    52    61    67   0.16450 -1.0 2.0
   57    52    61    67   0.04450  1.0 3.0
   61    52    57    58   0.34800  1.0 3.0
   61    52    57    59   0.34800  1.0 3.0
   61    52    57    60   0.34800  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   63    61    67    68   0.19450  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   53    71    64    69  15.00000 -1.0 2.0
   76    70    69    64  15.00000 -1.0 2.0
   56    75    65    66  10.50000 -1.0 2.0
   65    81    75    79  15.00000 -1.0 2.0
   87    80    79    75  15.00000 -1.0 2.0
   44    49    48    52  15.00000 -1.0 2.0
   57    61    52    48  15.00000 -1.0 2.0
END
