* LIGAND DATABASE FILE (OPLS2005)
*
001      79    83    156    254     462
    1     0 S   NP   _N1_     1    28.81092    95.71474   -19.63462
    2     1 S   H    _HN1     2     1.02797    75.03813   -90.47605
    3     1 S   H    _H1_     3     1.02946    91.47928    17.95687
    4     1 S   H    _H2_     4     1.02854    43.44346   131.69954
    5     1 S   CT   _CA1     5     1.50066   151.78311   160.54021
    6     5 S   HC   _HA1     6     1.09572   105.34325    38.97293
    7     5 S   CO3  _C1_     7     1.53973   111.99561   -81.36224
    8     7 S   O2Z  _O11     8     1.26450   115.19259   -55.24937
    9     7 S   O2Z  _O12     9     1.26217   114.92771   124.19559
   10     5 S   CT   _CB1    10     1.53129   107.43996   156.82448
   11    10 S   HC   HB11    11     1.09821   109.83903   -49.58808
   12    10 S   HC   HB12    12     1.09803   110.18271    66.88420
   13    10 S   CT   _CG1    13     1.53066   112.49810  -170.52780
   14    13 S   HC   HG11    14     1.09561   110.58387   -51.31319
   15    13 S   HC   HG12    15     1.09610   110.11681    67.66594
   16    13 S   C    _CD1    16     1.51812   111.95221  -171.90680
   17    16 S   O    _OE1    17     1.22737   123.14407   -13.97601
   18    16 S   N    _N2_    18     1.38580   111.75358   166.36215
   19    18 S   H    _HN2    19     1.01569   119.05908     3.21510
   20    18 S   CT1  _CA2    20     1.46191   123.39005  -175.88134
   21    20 S   HC   _HA2    21     1.09721   109.46665   -10.42572
   22    20 S   C    _C2_    22     1.53347   108.39367  -126.32776
   23    22 S   O    _O2_    23     1.23013   122.23354  -144.88169
   24    20 S   CT   _CB2    32     1.53453   111.15420   111.50048
   25    24 S   HC   HB21    33     1.09531   109.85964    57.51456
   26    24 S   HC   HB22    34     1.09528   110.56192   175.57955
   27    22 S   N    _N3_    24     1.38508   113.37530    42.40115
   28    27 S   H    _HN3    25     1.01524   118.93570    -0.40686
   29    24 S   S    _SG2    35     1.83049   111.83444   -65.36353
   30    27 S   CT   _CA3    26     1.45442   123.37588   175.23211
   31    30 S   HC   HA31    27     1.09527   109.17394    25.78892
   32    30 S   HC   HA32    28     1.09495   107.14334   142.76995
   33    29 S   CT   _C20    36     1.86349   100.00489   139.97289
   34    33 S   HC   _H7_    37     1.09714   106.94938    37.31778
   35    30 S   CO3  _C3_    29     1.52921   113.13160   -97.64927
   36    35 S   O2Z  _O31    30     1.26400   115.40029   -45.09750
   37    35 S   O2Z  _O32    31     1.26355   114.98817   135.84423
   38    33 S   CT   _C19    38     1.55533   107.65361   -79.26654
   39    38 S   HC   _H6_    39     1.09619   109.68130    43.30222
   40    38 S   CT   _C18    40     1.53792   115.00830   -79.50002
   41    40 S   HC   _H5_    41     1.09681   109.27407  -169.42718
   42    38 S   OH   _O36    78     1.42955   108.55005   157.84965
   43    42 S   HO   _H22    79     0.97309   107.67032  -173.51874
   44    40 S   CT   _C17    42     1.52359   112.40256   -48.55774
   45    44 S   HC   _H20    43     1.09560   108.87495   -71.37035
   46    44 S   HC   _H21    44     1.09754   109.83356   172.53489
   47    40 S   OH   _O37    76     1.42248   110.08799    72.94211
   48    47 S   HO   _H23    77     0.97594   107.43368   163.69776
   49    44 S   CT   _C16    45     1.53367   111.20325    52.43568
   50    49 S   HC   _H4_    46     1.09789   109.61458    73.48529
   51    33 S   CT   _C12    47     1.56832   111.56016   154.60910
   52    49 S   NP   _N4_    58     1.51557   109.21150  -168.07775
   53    52 S   H    _H3_    59     1.02901   111.41295   -40.25703
   54    51 S   CA   _C7_    48     1.55741   115.58536   -47.90708
   55    52 S   CT   _C14    60     1.52710   105.78695    79.76974
   56    55 S   HC   _H16    61     1.09432   107.22130   -98.96336
   57    55 S   HC   _H17    62     1.09424   109.27856   142.27624
   58    54 S   CA   _C8_    49     1.40227   121.56584   -32.93151
   59    58 S   HA   _H11    50     1.08433   122.10933     0.10468
   60    51 S   CT   _C13    63     1.55287   114.56979  -168.98792
   61    60 S   HC   _H14    64     1.09652   113.20164    85.04375
   62    60 S   HC   _H15    65     1.09188   113.11536   -35.45185
   63    58 S   CA   _C9_    51     1.38031   118.49113  -179.94766
   64    63 S   CA   _C10    52     1.37891   122.69471     1.34785
   65    64 S   CA   _C5_    53     1.38409   121.26263     1.19779
   66    64 S   OS   _O34    71     1.36279   111.02561  -179.89347
   67    54 S   CA   _C6_    54     1.43162   119.58604   151.57177
   68    65 S   OS   _O33    66     1.36652   127.25636   178.63413
   69    66 S   CO   _C11    72     1.43827   102.02637     0.17132
   70    69 S   HC   _H12    73     1.09596   108.70986  -121.43178
   71    69 S   HC   _H13    74     1.09604   108.73627   120.41218
   72    67 S   CT   _C15    55     1.51573   119.07215     2.36033
   73    72 S   HC   _H18    56     1.09549   111.53180   129.74518
   74    72 S   HC   _H19    57     1.09588   110.39423  -108.77184
   75    68 S   CT   _C4_    67     1.42046   118.35306     2.99683
   76    75 S   HC   _H8_    68     1.09448   107.61931   178.00737
   77    75 S   HC   _H9_    69     1.09462   111.28271    60.59532
   78    75 S   HC   _H10    70     1.09446   111.12728   -64.68377
   79    63 S   OS   _O35    75     1.36290   124.40326  -178.82714
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   8   2   1   1  14   7  12   7   4   1  13   6   5   2   1
  16   7  15  13   8  15   9   5   4  10   4   4   1   1   9  10
  12   6   5   5   3   2   1   2   1   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    51    54    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    50    51    54    58    67    52    55    60    61    62    47    42    43  
   38    39    40    49    51    54    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    49    51    54    60    47    48    42    43  
   40    41    44    51    47    42    43  
   41    44    45    46    49    50    51    52    47    48    42    43  
   44    45    46    49    47    48    42  
   43    44    47    51  
    0  
   45    46    49    50    51    54    72    52    53    55    60    47    48  
   46    49    50    51    52    47  
   49    50    51    52    47  
   48    49  
    0  
   50    51    54    58    67    72    73    74    52    53    55    56    57    60    61    62  
   51    54    72    52    53    55    60  
   54    58    59    63    65    67    72    52    53    55    56    57    60    61    62  
   53    55    56    57    60    61    62    54    65    67    72    73    74  
   55    56    57    60    67    72    73    74  
   58    59    63    64    65    67    72    73    74    55    60    61    62    68    79  
   56    57    60    61    62    67    72    73    74  
   57    60    61    62    72  
   60    61    62    72  
   59    63    64    65    67    72    60    66    69    79  
   63    64    67    79  
   61    62    67    72  
   62  
    0  
   64    65    67    68    66    69    70    71    79  
   65    67    72    68    75    66    69    70    71    79  
   67    72    73    74    68    75    76    77    78    66    69    79  
   69    70    71    79    67    68  
   72    73    74    68    75  
   75    76    77    78    72  
   70    71    79  
   71    79  
   79  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
    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   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   53   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    52   367.000  1.471
   51    54   317.000  1.510
   51    60   268.000  1.529
   54    58   469.000  1.400
   54    67   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   469.000  1.400
   63    79   450.000  1.364
   64    65   469.000  1.400
   64    66   450.000  1.364
   65    67   469.000  1.400
   65    68   450.000  1.364
   67    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    52   367.000  1.471
   52    53   434.000  1.010
   52    55   367.000  1.471
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   68    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   66    69   320.000  1.380
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    79   320.000  1.380
   47    48   553.000  0.945
   42    43   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    51    49    58.35000  112.70000
   33    51    54    70.00000  112.17500
   33    51    60    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    49    58.35000  112.70000
   40    47    48    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    58.35000  112.70000
   44    49    52    80.00000  111.20000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    51    54    70.00000  112.17500
   49    51    60    58.35000  112.70000
   49    52    72    75.00000  113.01200
   49    52    53    35.00000  109.50000
   49    52    55    75.00000  113.01200
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    54    58    70.00000  120.00000
   51    54    67    70.00000  120.00000
   51    60    55    58.35000  112.70000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   54    58    59    35.00000  120.00000
   54    58    63    63.00000  120.00000
   54    67    65    63.00000  120.00000
   54    67    72    70.00000  120.00000
   58    63    64    63.00000  120.00000
   58    63    79    70.00000  120.00000
   63    58    59    35.00000  120.00000
   63    64    65    63.00000  120.00000
   63    64    66    70.00000  120.00000
   63    79    69   100.00000  112.36700
   64    65    67    63.00000  120.00000
   64    65    68    70.00000  120.00000
   64    66    69   100.00000  112.36700
   65    67    72    70.00000  120.00000
   65    68    75    75.00000  111.00000
   67    54    58    63.00000  120.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    52    75.00000  110.83300
   72    52    53    35.00000  109.50000
   72    52    55    75.00000  113.01200
   74    72    73    33.00000  107.80000
   52    49    50    35.00000  109.50000
   52    49    51    80.00000  111.20000
   52    72    73    35.00000  109.50000
   52    72    74    35.00000  109.50000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    60    80.00000  111.20000
   55    52    53    35.00000  109.50000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   57    55    56    33.00000  107.80000
   60    51    54    70.00000  112.17500
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   68    65    67    70.00000  120.00000
   68    75    76    35.00000  109.50000
   68    75    77    35.00000  109.50000
   68    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   66    64    65    70.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    79    92.60000  111.55000
   71    69    70    33.00000  109.50000
   79    63    64    70.00000  120.00000
   79    69    70    35.00000  109.50000
   79    69    71    35.00000  109.50000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    51    49   0.44750  1.0 1.0
   29    33    51    49  -0.17800 -1.0 2.0
   29    33    51    49   0.20200  1.0 3.0
   29    33    51    54   0.56750  1.0 1.0
   29    33    51    54  -0.07550 -1.0 2.0
   29    33    51    54   0.20000  1.0 3.0
   29    33    51    60   0.44750  1.0 1.0
   29    33    51    60  -0.17800 -1.0 2.0
   29    33    51    60   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.86500  1.0 1.0
   33    38    40    47  -0.17500 -1.0 2.0
   33    38    40    47   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    51    54    58   0.04150 -1.0 2.0
   33    51    54    67   0.04150 -1.0 2.0
   33    51    60    55   0.56750  1.0 1.0
   33    51    60    55  -0.07550 -1.0 2.0
   33    51    60    55   0.20000  1.0 3.0
   33    51    60    61   0.15000  1.0 3.0
   33    51    60    62   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    51    49   0.15000  1.0 3.0
   34    33    51    54   0.43200  1.0 3.0
   34    33    51    60   0.15000  1.0 3.0
   38    33    51    49   0.56750  1.0 1.0
   38    33    51    49  -0.07550 -1.0 2.0
   38    33    51    49   0.20000  1.0 3.0
   38    33    51    54  -0.03700  1.0 1.0
   38    33    51    54   0.37200 -1.0 2.0
   38    33    51    54  -0.47300  1.0 3.0
   38    33    51    60   0.56750  1.0 1.0
   38    33    51    60  -0.07550 -1.0 2.0
   38    33    51    60   0.20000  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40   -44    49   0.56750  1.0 1.0
   38    40   -44    49  -0.07550 -1.0 2.0
   38    40   -44    49   0.20000  1.0 3.0
   38    40    47    48  -0.11600  1.0 1.0
   38    40    47    48  -0.09450 -1.0 2.0
   38    40    47    48   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.56750  1.0 1.0
   40    44    49    51  -0.07550 -1.0 2.0
   40    44    49    51   0.20000  1.0 3.0
   40    44    49    52   1.36600  1.0 1.0
   40    44    49    52  -0.11450 -1.0 2.0
   40    44    49    52   0.24250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    47    48   0.19450  1.0 3.0
   44    40    47    48  -0.11600  1.0 1.0
   44    40    47    48  -0.09450 -1.0 2.0
   44    40    47    48   0.21250  1.0 3.0
   44    49   -51    33   0.56750  1.0 1.0
   44    49   -51    33  -0.07550 -1.0 2.0
   44    49   -51    33   0.20000  1.0 3.0
   44    49    51    54  -0.03700  1.0 1.0
   44    49    51    54   0.37200 -1.0 2.0
   44    49    51    54  -0.47300  1.0 3.0
   44    49    51    60   0.56750  1.0 1.0
   44    49    51    60  -0.07550 -1.0 2.0
   44    49    51    60   0.20000  1.0 3.0
   44    49    52    72   0.47100  1.0 1.0
   44    49    52    53   0.17350  1.0 3.0
   44    49    52    55   0.47100  1.0 1.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.19200  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    52   0.19200  1.0 3.0
   49    51    54    58   0.04150 -1.0 2.0
   49    51    54    67   0.04150 -1.0 2.0
   49    51   -60    55   0.56750  1.0 1.0
   49    51   -60    55  -0.07550 -1.0 2.0
   49    51   -60    55   0.20000  1.0 3.0
   49    51    60    61   0.15000  1.0 3.0
   49    51    60    62   0.15000  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.15000  1.0 3.0
   49    52   -55    60   0.47100  1.0 1.0
   50    49    51    33   0.15000  1.0 3.0
   50    49    51    54   0.43200  1.0 3.0
   50    49    51    60   0.15000  1.0 3.0
   50    49    52    72   0.15000  1.0 3.0
   50    49    52    53   0.13050  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.56750  1.0 1.0
   51    33   -38    40  -0.07550 -1.0 2.0
   51    33   -38    40   0.20000  1.0 3.0
   51    33    38    42   0.86500  1.0 1.0
   51    33    38    42  -0.17500 -1.0 2.0
   51    33    38    42   0.20800  1.0 3.0
   51    49    52    72   0.47100  1.0 1.0
   51    49    52    53   0.17350  1.0 3.0
   51    49   -52    55   0.47100  1.0 1.0
   51    54    58    59   3.62500 -1.0 2.0
   51    54    58    63   3.62500 -1.0 2.0
   51    54    67    65   3.62500 -1.0 2.0
   51    54   -67    72   3.62500 -1.0 2.0
   54    51    60    55  -0.03700  1.0 1.0
   54    51    60    55   0.37200 -1.0 2.0
   54    51    60    55  -0.47300  1.0 3.0
   54    51    60    61   0.43200  1.0 3.0
   54    51    60    62   0.43200  1.0 3.0
   54    58    63    64   3.62500 -1.0 2.0
   54    58    63    79   3.62500 -1.0 2.0
   54    67    72    73   0.00000  1.0 1.0
   54    67    72    74   0.00000  1.0 1.0
   54    67    72    52  -0.46400 -1.0 2.0
   58    54    67    65   3.62500 -1.0 2.0
   58    54    67    72   3.62500 -1.0 2.0
   58    63   -64    65   3.62500 -1.0 2.0
   58    63    64    66   3.62500 -1.0 2.0
   58    63    79    69   1.63200 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   59    58    63    79   3.62500 -1.0 2.0
   63    64    65    67   3.62500 -1.0 2.0
   63    64    65    68   3.62500 -1.0 2.0
   63    64   -66    69   1.63200 -1.0 2.0
   64    63   -79    69   1.63200 -1.0 2.0
   64    65   -67    54   3.62500 -1.0 2.0
   64    65    67    72   3.62500 -1.0 2.0
   64    65    68    75   1.63200 -1.0 2.0
   64    66    69    70   0.08050  1.0 3.0
   64    66    69    71   0.08050  1.0 3.0
   64    66   -69    79  -0.25600  1.0 1.0
   64    66   -69    79  -0.40050 -1.0 2.0
   64    66   -69    79   0.34700  1.0 3.0
   65    64    66    69   1.63200 -1.0 2.0
   65    67    72    73   0.00000  1.0 1.0
   65    67    72    74   0.00000  1.0 1.0
   65    67    72    52  -0.46400 -1.0 2.0
   65    68    75    76   0.08050  1.0 3.0
   65    68    75    77   0.08050  1.0 3.0
   65    68    75    78   0.08050  1.0 3.0
   67    54    58    59   3.62500 -1.0 2.0
   67    54   -58    63   3.62500 -1.0 2.0
   67    65    68    75   1.63200 -1.0 2.0
   67    72   -52    49   0.03550  1.0 1.0
   67    72   -52    49   0.09800 -1.0 2.0
   67    72    52    53   0.17350  1.0 3.0
   67    72    52    55   0.03550  1.0 1.0
   67    72    52    55   0.09800 -1.0 2.0
   72    52    55    56   0.15000  1.0 3.0
   72    52    55    57   0.15000  1.0 3.0
   72    52    55    60   0.47100  1.0 1.0
   73    72    52    49   0.15000  1.0 3.0
   73    72    52    53   0.13050  1.0 3.0
   73    72    52    55   0.15000  1.0 3.0
   74    72    52    49   0.15000  1.0 3.0
   74    72    52    53   0.13050  1.0 3.0
   74    72    52    55   0.15000  1.0 3.0
   52    49    51    33   1.36600  1.0 1.0
   52    49    51    33  -0.11450 -1.0 2.0
   52    49    51    33   0.24250  1.0 3.0
   52    49   -51    54   1.24050  1.0 1.0
   52    49   -51    54   0.48100 -1.0 2.0
   52    49   -51    54   1.08150  1.0 3.0
   52    49   -51    60   1.36600  1.0 1.0
   52    49   -51    60  -0.11450 -1.0 2.0
   52    49   -51    60   0.24250  1.0 3.0
   52    55   -60    51   1.36600  1.0 1.0
   52    55   -60    51  -0.11450 -1.0 2.0
   52    55   -60    51   0.24250  1.0 3.0
   52    55    60    61   0.19200  1.0 3.0
   52    55    60    62   0.19200  1.0 3.0
   53    52    55    56   0.13050  1.0 3.0
   53    52    55    57   0.13050  1.0 3.0
   53    52    55    60   0.17350  1.0 3.0
   56    55    60    51   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   57    55    60    51   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   60    51    54    58   0.04150 -1.0 2.0
   60    51    54    67   0.04150 -1.0 2.0
   68    65    67    54   3.62500 -1.0 2.0
   68    65    67    72   3.62500 -1.0 2.0
   66    64    65    67   3.62500 -1.0 2.0
   66    64    65    68   3.62500 -1.0 2.0
   66    69   -79    63  -0.25600  1.0 1.0
   66    69   -79    63  -0.40050 -1.0 2.0
   66    69   -79    63   0.34700  1.0 3.0
   70    69    79    63   0.08050  1.0 3.0
   71    69    79    63   0.08050  1.0 3.0
   79    63    64    65   3.62500 -1.0 2.0
   79    63   -64    66   3.62500 -1.0 2.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    49   0.86500  1.0 1.0
   47    40    44    49  -0.17500 -1.0 2.0
   47    40    44    49   0.20800  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    47   3.75450  1.0 1.0
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
   58    67    54    51   4.00000 -1.0 2.0
   63    59    58    54   1.10000 -1.0 2.0
   64    79    63    58   4.00000 -1.0 2.0
   65    66    64    63   4.00000 -1.0 2.0
   67    68    65    64   4.00000 -1.0 2.0
   65    72    67    54   4.00000 -1.0 2.0
END
