* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    160    267     486
    1     0 S   NP   _N1_     1    28.16918    94.15379   -25.58969
    2     1 S   H    _HN1     2     1.02959    92.68035    -1.56085
    3     1 S   H    _H1_     3     1.02836    14.84501   164.14236
    4     1 S   H    _H2_     4     1.02778   110.20808  -112.22372
    5     1 S   CT   _CA1     5     1.50128   120.84604   114.17554
    6     5 S   HC   _HA1     6     1.09575   105.22021    71.26302
    7     5 S   CO3  _C1_     7     1.53791   112.36201   -48.93795
    8     7 S   O2Z  _O11     8     1.26366   114.99620   -43.94541
    9     7 S   O2Z  _O12     9     1.26237   114.93387   135.17110
   10     5 S   CT   _CB1    10     1.53098   107.42464  -170.81825
   11    10 S   HC   HB11    11     1.09827   109.34667   -50.48407
   12    10 S   HC   HB12    12     1.09816   110.42215    66.07798
   13    10 S   CT   _CG1    13     1.53014   112.66109  -171.55531
   14    13 S   HC   HG11    14     1.09595   110.48395   -64.14573
   15    13 S   HC   HG12    15     1.09656   109.92624    55.05084
   16    13 S   C    _CD1    16     1.51838   112.33011   175.42466
   17    16 S   O    _OE1    17     1.22745   123.29300    -0.07133
   18    16 S   N    _N2_    18     1.38553   111.68803   179.89913
   19    18 S   H    _HN2    19     1.01556   119.01606     4.67462
   20    18 S   CT1  _CA2    20     1.45877   122.93293   178.01397
   21    20 S   HC   _HA2    21     1.09717   108.99920    23.12196
   22    20 S   C    _C2_    22     1.52885   106.73948   -94.09455
   23    22 S   O    _O2_    23     1.23003   122.91953   -29.70390
   24    20 S   CT   _CB2    32     1.53370   112.20371   146.36249
   25    24 S   HC   HB21    33     1.09424   109.46285    54.64603
   26    24 S   HC   HB22    34     1.09385   109.59096   173.42502
   27    22 S   N    _N3_    24     1.38470   112.69484   153.08287
   28    27 S   H    _HN3    25     1.01665   120.40526    -2.08027
   29    24 S   S    _SG2    35     1.82954   110.58063   -66.03395
   30    27 S   CT   _CA3    26     1.45359   122.36638   178.52329
   31    30 S   HC   HA31    27     1.09576   107.56286   -59.75274
   32    30 S   HC   HA32    28     1.09568   107.82559    56.53029
   33    29 S   CT   _C19    36     1.88429   102.64278  -178.54330
   34    30 S   CO3  _C3_    29     1.52867   114.41011   178.30511
   35    34 S   O2Z  _O31    30     1.26317   116.07987    -6.30366
   36    34 S   O2Z  _O32    31     1.26443   114.40366   173.81024
   37    33 S   CM   _C4_    37     1.51738   107.44926    61.41632
   38    37 S   HC   _H22    38     1.09046   116.06889   -81.70000
   39    33 S   CT   _C13    73     1.54518   107.56367   -58.97765
   40    39 S   HC   _H35    74     1.09675   111.16483    71.18158
   41    39 S   HC   _H36    75     1.09897   109.92524   -46.51618
   42    37 S   CMA  _C5_    39     1.35090   126.55586    99.45426
   43    42 S   OM   _O19    40     1.26202   129.26452   178.60703
   44    42 S   CT   _C7_    41     1.52629   119.58579    -1.50506
   45    44 S   HC   _H23    42     1.09968   109.03102   112.38198
   46    44 S   HC   _H24    43     1.10002   110.59638  -131.08642
   47    44 S   CT   _C9_    44     1.53283   114.93119    -9.57988
   48    47 S   HC   _H27    45     1.09491   109.68611   165.06525
   49    47 S   HC   _H28    46     1.09662   108.65466   -81.45148
   50    33 S   CT   _C15    47     1.56851   107.88618  -179.18435
   51    50 S   HC   _H39    48     1.09998   108.70157    47.03194
   52    50 S   CT   _C18    49     1.56624   112.74143   164.76478
   53    52 S   HC   _H42    50     1.09886   108.44803    64.32773
   54    52 S   CT   _C12    51     1.55342   112.57243  -178.74057
   55    54 S   HC   _H33    52     1.09646   109.39491    50.44669
   56    54 S   HC   _H34    53     1.09543   109.98139   -66.04535
   57    52 S   CT   _C17    68     1.55393   110.76330   -52.52470
   58    57 S   HC   _H41    69     1.09698   109.29203   -58.84009
   59    54 S   CT   _C14    54     1.53975   114.17408   173.50080
   60    59 S   HC   _H37    55     1.09800   109.15375    70.49906
   61    59 S   HC   _H38    56     1.09684   109.64344  -173.97273
   62    57 S   CT   _C11    70     1.52683   109.64181    58.98000
   63    62 S   HC   _H31    71     1.09617   110.21506   179.49024
   64    62 S   HC   _H32    72     1.09685   110.67878    61.57403
   65    59 S   CT   _C20    57     1.52407   111.12170   -51.18103
   66    65 S   CO4  _C6_    58     1.51785   116.64863   166.92481
   67    66 S   O    _O20    59     1.22385   124.73881    40.64211
   68    65 S   CT   _C21    76     1.53971   111.25790   -70.53687
   69    68 S   HC   _H43    77     1.09312   112.88064    61.02205
   70    68 S   HC   _H44    78     1.09689   110.16682   -58.82785
   71    68 S   HC   _H45    79     1.09527   112.43999  -177.20271
   72    66 S   CT   _C8_    60     1.51937   111.35071  -140.80485
   73    72 S   HC   _H25    61     1.09379   108.83390   118.36646
   74    72 S   HC   _H26    62     1.09205   111.07443  -119.23544
   75    72 S   CT   _C10    63     1.53589   103.01829     0.38765
   76    75 S   HC   _H29    64     1.09443   110.93442   146.89966
   77    75 S   HC   _H30    65     1.09535   111.10462   -93.29373
   78    65 S   CT   _C16    66     1.54218   107.69422    57.66763
   79    78 S   HC   _H40    67     1.10413   108.59169    51.96923
  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  12   5   4   3
  20   2   1   1  14   5  13   6   5   8   4   8   5   4   8   4
   3  11   4  16   8  12   6   5  14   7  13   5   4   6   2   1
  14  13   6   7   3   2   1   7   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    52    62    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    53    54    57    62    63    64    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    52    62    39    40    41  
   42    43    44    50    39  
   40    41    42    47    50    51    52    57    58    62    63    64    78  
   41    50    57    62    63    64  
   50    57    62    63    64  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    52  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    53    54    57  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    56    59    78    57    58    62  
   52    53    54    57  
   53    54    55    56    59    60    61    65    75    78    79    57    58    62    63    64  
   54    55    56    59    78    57    58    62  
   55    56    59    60    61    65    66    78    57    58    62    68  
   56    59    60    61    65    57  
   59    60    61    65    57  
   58    62    63    64    68    59    65    66    72    75    76    77    78    79  
   62    63    64    65    75    78    79  
   60    61    65    66    67    72    75    78    79    68    69    70    71  
   61    65    66    78    68  
   65    66    78    68  
   63    64    65    75    78    79  
   64    78  
   78  
   66    67    72    73    74    75    76    77    78    79    68    69    70    71  
   67    72    73    74    75    76    77    78    79    68    69    70    71  
   72    73    74    75    78    68  
   69    70    71    72    75    78    79  
   70    71    78  
   71    78  
   78  
   73    74    75    76    77    78    79  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   317.000  1.522
   65    78   268.000  1.529
   65    68   268.000  1.529
   66    67   570.000  1.229
   66    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    57   268.000  1.529
   57    58   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    52    58.35000  112.70000
   33    39    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    58.35000  112.70000
   50    52    57    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    59    58.35000  112.70000
   52    57    78    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    62    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    65    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    66    63.00000  111.10000
   59    65    78    58.35000  112.70000
   59    65    68    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    66    67    80.00000  120.40000
   65    66    72    70.00000  116.00000
   65    78    75    58.35000  112.70000
   65    78    79    37.50000  110.70000
   65    78    57    58.35000  112.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    63.00000  111.10000
   72    66    67    80.00000  120.40000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    57    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    65    66    63.00000  111.10000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    57    58    37.50000  110.70000
   78    57    62    58.35000  112.70000
   57    52    53    37.50000  110.70000
   57    52    54    58.35000  112.70000
   57    78    79    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    39    58.35000  112.70000
   62    57    58    37.50000  110.70000
   62    39    40    37.50000  110.70000
   62    39    41    37.50000  110.70000
   64    62    63    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    62    63    37.50000  110.70000
   39    62    64    37.50000  110.70000
   41    39    40    33.00000  107.80000
   68    65    66    63.00000  111.10000
   68    65    78    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.44750  1.0 1.0
   29    33    50    52  -0.17800 -1.0 2.0
   29    33    50    52   0.20200  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    50    52    53   0.15000  1.0 3.0
   33    50    52    54   0.56750  1.0 1.0
   33    50    52    54  -0.07550 -1.0 2.0
   33    50    52    54   0.20000  1.0 3.0
   33    50    52    57   0.56750  1.0 1.0
   33    50    52    57  -0.07550 -1.0 2.0
   33    50    52    57   0.20000  1.0 3.0
   37    33    50    47   0.34400  1.0 1.0
   37    33    50    47   0.09450 -1.0 2.0
   37    33    50    47   0.11100  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    52   0.34400  1.0 1.0
   37    33    50    52   0.09450 -1.0 2.0
   37    33    50    52   0.11100  1.0 3.0
   37    33    39    62   0.34400  1.0 1.0
   37    33    39    62   0.09450 -1.0 2.0
   37    33    39    62   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   0.00000  1.0 1.0
   37    42    44    46   0.00000  1.0 1.0
   37    42   -44    47   0.09850  1.0 1.0
   37    42   -44    47   0.15250 -1.0 2.0
   37    42   -44    47  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.34400  1.0 1.0
   42    44    47    50   0.09450 -1.0 2.0
   42    44    47    50   0.11100  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    47   0.09700  1.0 1.0
   43    42    44    47   0.15600 -1.0 2.0
   43    42    44    47  -0.50800  1.0 3.0
   44    47   -50    33   0.56750  1.0 1.0
   44    47   -50    33  -0.07550 -1.0 2.0
   44    47   -50    33   0.20000  1.0 3.0
   44    47    50    51   0.15000  1.0 3.0
   44    47    50    52   0.56750  1.0 1.0
   44    47    50    52  -0.07550 -1.0 2.0
   44    47    50    52   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    52    53   0.15000  1.0 3.0
   47    50    52    54   0.56750  1.0 1.0
   47    50    52    54  -0.07550 -1.0 2.0
   47    50    52    54   0.20000  1.0 3.0
   47    50    52    57   0.56750  1.0 1.0
   47    50    52    57  -0.07550 -1.0 2.0
   47    50    52    57   0.20000  1.0 3.0
   48    47    50    33   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   49    47    50    33   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    42   0.09850  1.0 1.0
   50    33   -37    42   0.15250 -1.0 2.0
   50    33   -37    42  -0.50650  1.0 3.0
   50    33    39    62   0.56750  1.0 1.0
   50    33    39    62  -0.07550 -1.0 2.0
   50    33    39    62   0.20000  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    52    54    55   0.15000  1.0 3.0
   50    52    54    56   0.15000  1.0 3.0
   50    52    54    59   0.56750  1.0 1.0
   50    52    54    59  -0.07550 -1.0 2.0
   50    52    54    59   0.20000  1.0 3.0
   50    52    57    78   0.56750  1.0 1.0
   50    52    57    78  -0.07550 -1.0 2.0
   50    52    57    78   0.20000  1.0 3.0
   50    52    57    58   0.15000  1.0 3.0
   50    52   -57    62   0.56750  1.0 1.0
   50    52   -57    62  -0.07550 -1.0 2.0
   50    52   -57    62   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   52    54    59    60   0.15000  1.0 3.0
   52    54    59    61   0.15000  1.0 3.0
   52    54    59    65   0.56750  1.0 1.0
   52    54    59    65  -0.07550 -1.0 2.0
   52    54    59    65   0.20000  1.0 3.0
   52    57    62    63   0.15000  1.0 3.0
   52    57    62    64   0.15000  1.0 3.0
   52    57    62    39   0.56750  1.0 1.0
   52    57    62    39  -0.07550 -1.0 2.0
   52    57    62    39   0.20000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    59   0.15000  1.0 3.0
   53    52    57    78   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    62   0.15000  1.0 3.0
   54    52    57    78   0.56750  1.0 1.0
   54    52    57    78  -0.07550 -1.0 2.0
   54    52    57    78   0.20000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    62   0.56750  1.0 1.0
   54    52    57    62  -0.07550 -1.0 2.0
   54    52    57    62   0.20000  1.0 3.0
   54    59    65    66  -0.95700  1.0 1.0
   54    59    65    66  -0.18200 -1.0 2.0
   54    59    65    66   0.29450  1.0 3.0
   54    59   -65    78   0.56750  1.0 1.0
   54    59   -65    78  -0.07550 -1.0 2.0
   54    59   -65    78   0.20000  1.0 3.0
   54    59    65    68   0.56750  1.0 1.0
   54    59    65    68  -0.07550 -1.0 2.0
   54    59    65    68   0.20000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    65   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   56    54    59    65   0.15000  1.0 3.0
   59    65    66    67   0.30150 -1.0 2.0
   59    65    66    72   0.60050  1.0 1.0
   59    65    66    72   0.05600 -1.0 2.0
   59    65    66    72   0.26150  1.0 3.0
   59    65    78    75   0.56750  1.0 1.0
   59    65    78    75  -0.07550 -1.0 2.0
   59    65    78    75   0.20000  1.0 3.0
   59    65    78    79   0.15000  1.0 3.0
   59    65    78    57   0.56750  1.0 1.0
   59    65    78    57  -0.07550 -1.0 2.0
   59    65    78    57   0.20000  1.0 3.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    70   0.15000  1.0 3.0
   59    65    68    71   0.15000  1.0 3.0
   60    59    65    66  -0.11250  1.0 3.0
   60    59    65    78   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   61    59    65    66  -0.11250  1.0 3.0
   61    59    65    78   0.15000  1.0 3.0
   61    59    65    68   0.15000  1.0 3.0
   65    66    72    73   0.00000  1.0 1.0
   65    66    72    74   0.00000  1.0 1.0
   65    66   -72    75   0.60050  1.0 1.0
   65    66   -72    75   0.05600 -1.0 2.0
   65    66   -72    75   0.26150  1.0 3.0
   65    78   -57    52   0.56750  1.0 1.0
   65    78   -57    52  -0.07550 -1.0 2.0
   65    78   -57    52   0.20000  1.0 3.0
   65    78    57    58   0.15000  1.0 3.0
   65    78    57    62   0.56750  1.0 1.0
   65    78    57    62  -0.07550 -1.0 2.0
   65    78    57    62   0.20000  1.0 3.0
   66    65   -78    75  -0.95700  1.0 1.0
   66    65   -78    75  -0.18200 -1.0 2.0
   66    65   -78    75   0.29450  1.0 3.0
   66    65    78    79  -0.11250  1.0 3.0
   66    65    78    57  -0.95700  1.0 1.0
   66    65    78    57  -0.18200 -1.0 2.0
   66    65    78    57   0.29450  1.0 3.0
   66    65    68    69  -0.11250  1.0 3.0
   66    65    68    70  -0.11250  1.0 3.0
   66    65    68    71  -0.11250  1.0 3.0
   66    72    75    76  -0.11250  1.0 3.0
   66    72    75    77  -0.11250  1.0 3.0
   66    72   -75    78  -0.95700  1.0 1.0
   66    72   -75    78  -0.18200 -1.0 2.0
   66    72   -75    78   0.29450  1.0 3.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    74   0.00000  1.0 1.0
   67    66    72    75   0.30150 -1.0 2.0
   72    75   -78    65   0.56750  1.0 1.0
   72    75   -78    65  -0.07550 -1.0 2.0
   72    75   -78    65   0.20000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    57   0.56750  1.0 1.0
   72    75    78    57  -0.07550 -1.0 2.0
   72    75    78    57   0.20000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    57    52   0.56750  1.0 1.0
   75    78    57    52  -0.07550 -1.0 2.0
   75    78    57    52   0.20000  1.0 3.0
   75    78    57    58   0.15000  1.0 3.0
   75    78    57    62   0.56750  1.0 1.0
   75    78    57    62  -0.07550 -1.0 2.0
   75    78    57    62   0.20000  1.0 3.0
   76    75    78    65   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    57   0.15000  1.0 3.0
   77    75    78    65   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    57   0.15000  1.0 3.0
   78    65    66    67   0.30150 -1.0 2.0
   78    65   -66    72   0.60050  1.0 1.0
   78    65   -66    72   0.05600 -1.0 2.0
   78    65   -66    72   0.26150  1.0 3.0
   78    65    68    69   0.15000  1.0 3.0
   78    65    68    70   0.15000  1.0 3.0
   78    65    68    71   0.15000  1.0 3.0
   78    57    62    63   0.15000  1.0 3.0
   78    57    62    64   0.15000  1.0 3.0
   78    57    62    39   0.56750  1.0 1.0
   78    57    62    39  -0.07550 -1.0 2.0
   78    57    62    39   0.20000  1.0 3.0
   79    78    57    52   0.15000  1.0 3.0
   79    78    57    58   0.15000  1.0 3.0
   79    78    57    62   0.15000  1.0 3.0
   57    52    54    55   0.15000  1.0 3.0
   57    52    54    56   0.15000  1.0 3.0
   57    52   -54    59   0.56750  1.0 1.0
   57    52   -54    59  -0.07550 -1.0 2.0
   57    52   -54    59   0.20000  1.0 3.0
   57    62   -39    33   0.56750  1.0 1.0
   57    62   -39    33  -0.07550 -1.0 2.0
   57    62   -39    33   0.20000  1.0 3.0
   57    62    39    40   0.15000  1.0 3.0
   57    62    39    41   0.15000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    39   0.15000  1.0 3.0
   63    62    39    33   0.15000  1.0 3.0
   63    62    39    40   0.15000  1.0 3.0
   63    62    39    41   0.15000  1.0 3.0
   64    62    39    33   0.15000  1.0 3.0
   64    62    39    40   0.15000  1.0 3.0
   64    62    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33   -50    52   0.56750  1.0 1.0
   39    33   -50    52  -0.07550 -1.0 2.0
   39    33   -50    52   0.20000  1.0 3.0
   68    65    66    67   0.30150 -1.0 2.0
   68    65    66    72   0.60050  1.0 1.0
   68    65    66    72   0.05600 -1.0 2.0
   68    65    66    72   0.26150  1.0 3.0
   68    65    78    75   0.56750  1.0 1.0
   68    65    78    75  -0.07550 -1.0 2.0
   68    65    78    75   0.20000  1.0 3.0
   68    65    78    79   0.15000  1.0 3.0
   68    65    78    57   0.56750  1.0 1.0
   68    65    78    57  -0.07550 -1.0 2.0
   68    65    78    57   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   65    72    66    67  10.50000 -1.0 2.0
END
