* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    144    217     422
    1     0 S   NP   _N1_     1    28.46434    94.91643   -23.97998
    2     1 S   H    _HN1     2     1.02771   106.45891  -117.89930
    3     1 S   H    _H1_     3     1.02951    85.01017   -10.21798
    4     1 S   H    _H2_     4     1.02831    24.40383   144.96708
    5     1 S   CT   _CA1     5     1.50162   130.06194   102.32003
    6     5 S   HC   _HA1     6     1.09567   105.20934    76.84319
    7     5 S   CO3  _C1_     7     1.53813   112.09288   -43.41297
    8     7 S   O2Z  _O11     8     1.26390   114.98409   -46.96515
    9     7 S   O2Z  _O12     9     1.26195   114.95687   131.77093
   10     5 S   CT   _CB1    10     1.53067   107.37592  -165.16980
   11    10 S   HC   HB11    11     1.09837   109.53688   -48.33125
   12    10 S   HC   HB12    12     1.09810   110.39418    68.27073
   13    10 S   CT   _CG1    13     1.53029   112.62638  -169.20847
   14    13 S   HC   HG11    14     1.09582   110.68821   -63.10698
   15    13 S   HC   HG12    15     1.09658   109.80523    56.13035
   16    13 S   C    _CD1    16     1.51857   111.98851   176.72416
   17    16 S   O    _OE1    17     1.22763   123.21342     8.41429
   18    16 S   N    _N2_    18     1.38495   111.84879  -171.99227
   19    18 S   H    _HN2    19     1.02034   119.26755     3.50068
   20    18 S   CT1  _CA2    20     1.45930   123.39892   179.94065
   21    20 S   HC   _HA2    21     1.09611   109.29817    13.95079
   22    20 S   C    _C2_    22     1.53876   110.80861  -104.09131
   23    22 S   O    _O2_    23     1.23158   120.77713  -168.89372
   24    20 S   CT   _CB2    32     1.53531   111.66748   136.43848
   25    24 S   HC   HB21    33     1.09214   108.69626    70.29375
   26    24 S   HC   HB22    34     1.09494   109.96534  -172.84286
   27    22 S   N    _N3_    24     1.38183   115.29081    12.55960
   28    27 S   H    _HN3    25     1.01456   117.92666     0.12972
   29    24 S   S    _SG2    35     1.82394   114.50769   -51.58935
   30    27 S   CT   _CA3    26     1.45533   123.78562  -166.71013
   31    30 S   HC   HA31    27     1.09489   106.76563    72.34305
   32    30 S   HC   HA32    28     1.09539   107.05064  -172.73988
   33    29 S   CT   _C7_    36     1.83243    98.68359   159.04728
   34    33 S   HC   _H3_    37     1.09259   107.26796    44.44130
   35    30 S   CO3  _C3_    29     1.52703   116.12191   -51.30151
   36    35 S   O2Z  _O31    30     1.26243   115.53807   -58.76069
   37    35 S   O2Z  _O32    31     1.26642   114.61381   122.39929
   38    33 S   CM   _C6_    38     1.50651   109.98211   165.22304
   39    38 S   HC   _H9_    39     1.09111   115.67156    49.85906
   40    33 S   C    _C8_    47     1.53017   108.91730   -75.68722
   41    40 S   O    _O34    48     1.22981   123.03339   -67.85980
   42    38 S   CMA  _C5_    40     1.35562   126.34449  -131.04697
   43    42 S   OM   _O39    41     1.26847   125.55258    -0.13270
   44    40 S   N    _N4_    49     1.38779   112.63620   111.38965
   45    44 S   H    _H10    50     1.01391   119.13039     0.87424
   46    42 S   OS   _O33    42     1.42233   109.28492  -179.74589
   47    44 S   CT   _C9_    51     1.45547   124.00914  -177.96433
   48    47 S   HC   _H11    52     1.09543   108.99758   -28.45350
   49    47 S   HC   _H12    53     1.09577   105.77739  -143.88609
   50    46 S   CT   _C4_    43     1.42620   115.73886  -175.43027
   51    50 S   HC   _H6_    44     1.09409   107.76084   178.72175
   52    50 S   HC   _H7_    45     1.09508   111.05473    60.74108
   53    50 S   HC   _H8_    46     1.09500   111.03917   -63.34007
   54    47 S   CT1  _C10    54     1.53538   113.16983    96.01399
   55    54 S   HC   _H4_    55     1.09799   108.10276   166.72282
   56    54 S   CO3  _C11    56     1.54135   109.69468   -77.10884
   57    56 S   O2Z  _O36    57     1.26482   115.70005   109.72277
   58    56 S   O2Z  _O35    58     1.26407   114.86731   -71.71567
   59    54 S   N    _N5_    59     1.46428   112.34640    49.22638
   60    59 S   H    _H13    60     1.01595   115.93987  -104.51942
   61    59 S   C    _C12    61     1.38227   123.98919    75.85308
   62    61 S   O    _O37    62     1.22896   124.92286     2.16057
   63    61 S   CT1  _C13    63     1.52465   112.81814  -179.59458
   64    63 S   HC   _H5_    64     1.09209   110.79950     6.35332
   65    63 S   CT   _C14    65     1.53229   112.24407   131.07692
   66    65 S   HC   _H14    66     1.09772   111.29197    47.16324
   67    65 S   HC   _H15    67     1.09828   110.36928   164.18291
   68    63 S   NP   _N6_    80     1.49450   108.71139  -108.87793
   69    68 S   H    _H21    81     1.02878   111.14147    50.80600
   70    68 S   H    _H22    82     1.02811   112.43526   -70.00421
   71    68 S   H    _H23    83     1.03246   110.77515   168.31784
   72    65 S   CA   _C15    68     1.51081   111.53032   -75.32277
   73    72 S   CA   _C16    69     1.40243   120.11223   -86.53707
   74    73 S   HA   _H16    70     1.08761   120.39386    -1.54813
   75    73 S   CA   _C17    71     1.39478   120.52007   177.56675
   76    75 S   HA   _H17    72     1.08620   119.88455  -179.25612
   77    75 S   CA   _C18    73     1.39082   119.58367    -0.64224
   78    77 S   CA   _C19    74     1.39235   120.77146     1.29271
   79    78 S   HA   _H18    75     1.08629   120.84545   179.77445
   80    77 S   OH   _O38    78     1.36588   118.14058  -177.89885
   81    80 S   HO   _H20    79     0.97588   108.66307   165.09838
   82    72 S   CA   _C20    76     1.40199   120.76935    91.39027
   83    82 S   HA   _H19    77     1.08742   120.45132     1.96334
  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
  11   6   2   1   1   8   4   8   3   6   2   8   4   4  10   5
   4   3   2   1   1   9   6   5   2   1   7   3  11   4  11   8
  13   5   4   4   2   1   1   9   8   4   7   3   6   5   3   2
   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    50    40    41    44  
   42    43    46    40  
   41    44    45    47    48    49    54    42  
   44    45    47  
   43    46    50    51    52    53  
   46    50  
   45    47    48    49    54    55    56    59  
   47    48    49    54  
   50    51    52    53  
   48    49    54    55    56    57    58    59    60    61  
   49    54    55    56    59  
   54    55    56    59  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61    62    63  
   56    57    58    59    60    61  
   57    58    59    60    61  
   58    59  
   59  
   60    61    62    63    64    65    68  
   61    62    63  
   62    63    64    65    66    67    72    68    69    70    71  
   63    64    65    68  
   64    65    66    67    72    73    82    68    69    70    71  
   65    66    67    72    68    69    70    71  
   66    67    72    73    74    75    78    82    83    68    69    70    71  
   67    72    73    82    68  
   72    73    82    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79    82    83  
   74    75    76    77    78    82    83    80  
   75    76    77    82  
   76    77    78    79    82    80    81  
   77    78    80  
   78    79    82    83    80    81  
   79    82    83    80    81  
   82    83    80  
   81    82  
    0  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   69   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.522
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   40    41   570.000  1.229
   40    44   490.000  1.335
   44    45   434.000  1.010
   44    47   337.000  1.449
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.522
   54    59   337.000  1.449
   56    57   656.000  1.250
   56    58   656.000  1.250
   59    60   434.000  1.010
   59    61   490.000  1.335
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    68   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   317.000  1.510
   72    73   469.000  1.400
   72    82   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   469.000  1.400
   77    80   450.000  1.364
   78    79   367.000  1.080
   78    82   469.000  1.400
   82    83   367.000  1.080
   80    81   553.000  0.945
   68    69   434.000  1.010
   68    70   434.000  1.010
   68    71   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    70.00000  112.33000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    80.00000  120.40000
   33    40    44    70.00000  116.60000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  120.01400
   42    38    39    40.00000  120.50800
   42    46    50    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  115.00700
   40    44    45    35.00000  119.80000
   40    44    47    50.00000  121.90000
   44    40    41    80.00000  122.90000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    54    70.00000  110.72300
   47    44    45    38.00000  118.40000
   47    54    55    37.50000  110.70000
   47    54    56    63.00000  111.10000
   47    54    59    80.00000  109.70000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    56    57    70.00000  117.00000
   54    56    58    70.00000  117.00000
   54    59    60    38.00000  118.40000
   54    59    61    50.00000  121.90000
   56    54    55    35.00000  109.50000
   58    56    57    80.00000  126.00000
   59    54    55    35.00000  109.50000
   59    54    56    63.00000  110.10000
   59    61    62    80.00000  122.90000
   59    61    63    70.00000  116.60000
   61    59    60    35.00000  119.80000
   61    63    64    35.00000  109.50000
   61    63    65    63.00000  111.10000
   61    63    68    80.00000  111.20000
   63    61    62    80.00000  120.40000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    72    63.00000  114.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   65    63    64    37.50000  110.70000
   65    72    73    70.00000  120.00000
   65    72    82    70.00000  120.00000
   67    65    66    33.00000  107.80000
   72    65    66    35.00000  109.50000
   72    65    67    35.00000  109.50000
   72    73    74    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    82    78    63.00000  120.00000
   72    82    83    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    63.00000  120.00000
   75    77    80    70.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  120.00000
   77    78    82    63.00000  120.00000
   77    80    81    35.00000  113.00000
   78    82    83    35.00000  120.00000
   82    72    73    63.00000  120.00000
   82    78    79    35.00000  120.00000
   80    77    78    70.00000  120.00000
   68    63    64    35.00000  109.50000
   68    63    65    80.00000  111.20000
   70    68    69    35.00000  109.50000
   71    68    69    35.00000  109.50000
   71    68    70    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    44   0.00000  1.0 1.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   2.45000 -1.0 2.0
   33    40    44    47   1.49850  1.0 1.0
   33    40    44    47   1.53950 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.30150 -1.0 2.0
   38    33    40    44   0.00000  1.0 1.0
   38    42    46    50  -2.26850  1.0 1.0
   38    42    46    50   3.39050 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    50    51   0.08050  1.0 3.0
   42    46    50    52   0.08050  1.0 3.0
   42    46    50    53   0.08050  1.0 3.0
   43    42    46    50   2.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.51250  1.0 1.0
   40    33    38    42  -0.88800 -1.0 2.0
   40    33    38    42   0.08850  1.0 3.0
   40    44    47    48   0.00000  1.0 1.0
   40    44    47    49   0.00000  1.0 1.0
   40    44    47    54  -0.43950  1.0 1.0
   40    44    47    54  -0.08100 -1.0 2.0
   40    44    47    54   0.03350  1.0 3.0
   41    40    44    45   2.45000 -1.0 2.0
   41    40    44    47   3.04450 -1.0 2.0
   44    47    54    55   0.15000  1.0 3.0
   44    47    54    56  -4.61400  1.0 1.0
   44    47    54    59   2.20050  1.0 1.0
   44    47    54    59   0.63450 -1.0 2.0
   44    47    54    59  -0.91300  1.0 3.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   45    44    47    54   0.00000  1.0 1.0
   47    54    56    57   0.00000  1.0 1.0
   47    54    56    58   0.00000  1.0 1.0
   47    54    59    60   0.00000  1.0 1.0
   47    54    59    61   0.25950  1.0 1.0
   47    54    59    61   0.43850 -1.0 2.0
   47    54    59    61   2.61650  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56  -0.03800  1.0 3.0
   48    47    54    59   0.23200  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    56  -0.03800  1.0 3.0
   49    47    54    59   0.23200  1.0 3.0
   54    59    61    62   3.04450 -1.0 2.0
   54    59    61    63   1.15000  1.0 1.0
   54    59    61    63   3.04450 -1.0 2.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   56    54    59    60   0.00000  1.0 1.0
   56    54    59    61  -0.29800  1.0 1.0
   56    54    59    61   0.13950 -1.0 2.0
   56    54    59    61  -2.45650  1.0 3.0
   59    54    56    57   0.00000  1.0 1.0
   59    54    56    58   0.00000  1.0 1.0
   59    61    63    64   0.00000  1.0 1.0
   59    61    63    65   0.93250  1.0 1.0
   59    61    63    65   0.04450 -1.0 2.0
   59    61    63    65   0.17550  1.0 3.0
   59    61    63    68   0.37150  1.0 1.0
   59    61    63    68   1.25400 -1.0 2.0
   59    61    63    68  -0.40250  1.0 3.0
   60    59    61    62   2.45000 -1.0 2.0
   60    59    61    63   2.45000 -1.0 2.0
   61    63    65    66  -0.03800  1.0 3.0
   61    63    65    67  -0.03800  1.0 3.0
   61    63    65    72  -0.84850  1.0 1.0
   61    63    65    72  -0.22800 -1.0 2.0
   61    63    65    72   0.29250  1.0 3.0
   61    63    68    69   0.17350  1.0 3.0
   61    63    68    70   0.17350  1.0 3.0
   61    63    68    71   0.17350  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    68   0.00000  1.0 1.0
   63    65    72    73   0.00000  1.0 1.0
   63    65    72    82   0.00000  1.0 1.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    72   0.23100  1.0 3.0
   64    63    68    69   0.13050  1.0 3.0
   64    63    68    70   0.13050  1.0 3.0
   64    63    68    71   0.13050  1.0 3.0
   65    63    68    69   0.17350  1.0 3.0
   65    63    68    70   0.17350  1.0 3.0
   65    63    68    71   0.17350  1.0 3.0
   65    72    73    74   3.62500 -1.0 2.0
   65    72    73    75   3.62500 -1.0 2.0
   65    72    82    78   3.62500 -1.0 2.0
   65    72    82    83   3.62500 -1.0 2.0
   66    65    72    73   0.00000  1.0 1.0
   66    65    72    82   0.00000  1.0 1.0
   67    65    72    73   0.00000  1.0 1.0
   67    65    72    82   0.00000  1.0 1.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    77   3.62500 -1.0 2.0
   73    72    82    78   3.62500 -1.0 2.0
   73    72    82    83   3.62500 -1.0 2.0
   73    75   -77    78   3.62500 -1.0 2.0
   73    75    77    80   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    78    79   3.62500 -1.0 2.0
   75    77    78    82   3.62500 -1.0 2.0
   75    77    80    81   0.84100 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    80   3.62500 -1.0 2.0
   77    78   -82    72   3.62500 -1.0 2.0
   77    78    82    83   3.62500 -1.0 2.0
   78    77    80    81   0.84100 -1.0 2.0
   79    78    82    72   3.62500 -1.0 2.0
   79    78    82    83   3.62500 -1.0 2.0
   82    72    73    74   3.62500 -1.0 2.0
   82    72   -73    75   3.62500 -1.0 2.0
   80    77    78    79   3.62500 -1.0 2.0
   80    77    78    82   3.62500 -1.0 2.0
   68    63    65    66   0.23200  1.0 3.0
   68    63    65    67   0.23200  1.0 3.0
   68    63    65    72   0.42250  1.0 1.0
   68    63    65    72  -0.48100 -1.0 2.0
   68    63    65    72   0.35650  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
   33    39    38    42  15.00000 -1.0 2.0
   43    46    42    38  15.00000 -1.0 2.0
   33    44    40    41  10.50000 -1.0 2.0
   45    40    44    47   1.00000 -1.0 2.0
   57    54    56    58  10.50000 -1.0 2.0
   60    61    59    54   1.00000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
   73    82    72    65   4.00000 -1.0 2.0
   75    74    73    72   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   78    80    77    75   4.00000 -1.0 2.0
   82    79    78    77   1.10000 -1.0 2.0
   78    83    82    72   1.10000 -1.0 2.0
END
