* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    153    249     453
    1     0 S   NP   _N1_     1    30.40437    95.40283   -15.89707
    2     1 S   H    _HN1     2     1.02959   102.01065    16.12881
    3     1 S   H    _H1_     3     1.02838    66.12676   119.57507
    4     1 S   H    _H2_     4     1.02780    46.28522   -87.86462
    5     1 S   CT   _CA1     5     1.50096   146.36941  -148.47650
    6     5 S   HC   _HA1     6     1.09537   105.37801   -18.40333
    7     5 S   CO3  _C1_     7     1.54073   112.37176  -139.18524
    8     7 S   O2Z  _O11     8     1.26398   115.02132   -38.94829
    9     7 S   O2Z  _O12     9     1.26302   115.18149   140.69304
   10     5 S   CT   _CB1    10     1.53182   107.52701   100.23121
   11    10 S   HC   HB11    11     1.09809   110.20693   -43.36176
   12    10 S   HC   HB12    12     1.09843   109.98041    73.35171
   13    10 S   CT   _CG1    13     1.53072   112.46903  -164.24411
   14    13 S   HC   HG11    14     1.09262   110.51089   -45.55322
   15    13 S   HC   HG12    15     1.09582   110.33620    73.13853
   16    13 S   C    _CD1    16     1.51668   111.38523  -166.81412
   17    16 S   O    _OE1    17     1.22784   122.60685   -32.84832
   18    16 S   N    _N2_    18     1.38479   112.17559   147.72904
   19    18 S   H    _HN2    19     1.01620   119.25166     1.87283
   20    18 S   CT1  _CA2    20     1.46190   123.47897  -174.98714
   21    20 S   HC   _HA2    21     1.09719   109.48164   -13.17342
   22    20 S   C    _C2_    22     1.53345   108.51643  -129.20862
   23    22 S   O    _O2_    23     1.23015   122.22843  -146.21579
   24    20 S   CT   _CB2    32     1.53479   110.77990   108.77355
   25    24 S   HC   HB21    33     1.09343   109.28881    55.64627
   26    24 S   HC   HB22    34     1.09501   110.79063   174.15199
   27    22 S   N    _N3_    24     1.38507   113.36534    41.25146
   28    27 S   H    _HN3    25     1.01530   118.89253    -0.73807
   29    24 S   S    _SG2    35     1.82836   111.52322   -66.37048
   30    27 S   CT   _CA3    26     1.45447   123.43843   175.11408
   31    30 S   HC   HA31    27     1.09525   109.21319    24.69937
   32    30 S   HC   HA32    28     1.09496   107.12143   141.68767
   33    29 S   CT   _C12    36     1.85428   100.30385   156.89111
   34    33 S   HC   _H3_    37     1.09857   106.09639    33.96087
   35    30 S   CO3  _C3_    29     1.52928   113.15975   -98.77232
   36    35 S   O2Z  _O31    30     1.26401   115.43096   -44.25889
   37    35 S   O2Z  _O32    31     1.26363   114.97938   136.71014
   38    33 S   CT   _C7_    38     1.54238   108.69727   148.80262
   39    38 S   HC   _H27    39     1.09588   110.50287    49.14718
   40    38 S   CO4  _C4_    40     1.52549   111.57464   167.49112
   41    40 S   O    _O16    41     1.23328   121.24130   165.13543
   42    38 S   CT   _C16    74     1.53699   111.94202   -70.94073
   43    42 S   HC   _H33    75     1.09586   111.03753   -61.50827
   44    42 S   HC   _H34    76     1.09583   110.97875   179.23102
   45    42 S   HC   _H35    77     1.09366   112.12445    59.70831
   46    40 S   CT   _C8_    42     1.52439   117.75748   -14.76961
   47    46 S   HC   _H28    43     1.09446   105.35438    79.66377
   48    46 S   CT   _C14    44     1.56027   111.28169   -40.85870
   49    46 S   OH   _O19    72     1.41513   108.28643  -165.78743
   50    49 S   HO   _H41    73     0.97276   107.65274   -55.51322
   51    33 S   CT   _C10    45     1.56521   108.76021   -83.02262
   52    51 S   HC   _H30    46     1.09612   109.70985   -17.99563
   53    48 S   CT   _C13    55     1.61516   113.71691  -175.39436
   54    48 S   CT   _C18    67     1.57130   110.60152   -52.03624
   55    54 S   HC   _H39    68     1.09118   112.22408  -166.83251
   56    54 S   HC   _H40    69     1.09068   112.06375    75.09629
   57    51 S   OS   _O18    47     1.44938   103.43442    96.30247
   58    65 S   C3T  _C15    56     1.48351   108.34168   -59.52351
   59    53 S   CT   _C17    61     1.53143   116.01223    66.69686
   60    59 S   HC   _H36    62     1.09188   112.66202   -65.46437
   61    59 S   HC   _H37    63     1.09684   111.04206   176.06468
   62    59 S   HC   _H38    64     1.09292   112.00240    57.66088
   63    54 S   OH   _O21    70     1.42030   112.59086   -45.83964
   64    63 S   HO   _H43    71     0.97234   107.27882  -178.96184
   65    57 S   CT   _C9_    48     1.42643   118.33759   170.37112
   66    65 S   HC   _H29    49     1.09413   107.97558   176.32459
   67    58 S   C3T  _C6_    57     1.51293   121.80778  -137.65270
   68    67 S   HC   _H25    58     1.08087   120.42697  -148.98051
   69    67 S   HC   _H26    59     1.08287   118.68813     0.86139
   70    65 S   CT   _C11    50     1.53259   113.85605    51.80512
   71    70 S   HC   _H31    51     1.09728   109.54067   160.16565
   72    58 S   O3T  _O17    60     1.42101   118.72930   -68.71286
   73    70 S   CT   _C5_    52     1.54480   104.55699   -83.63941
   74    73 S   HC   _H23    53     1.09019   111.96362   120.73463
   75    73 S   HC   _H24    54     1.09798   107.73158  -122.90098
   76    70 S   OH   _O20    65     1.41260   112.94796    39.72299
   77    76 S   HO   _H42    66     0.97592   107.23404  -172.56558
  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
  17   8   2   1   1  14   8  13   5   5   2   1   1  15   6  23
   4   1  13   4  22   8   3   2   9  16  10   3   2   1   1   1
  12   6   5   2   1   7   5   1   4   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    48    51    52    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    48    51    52    57    65    53    54    42    43    44    45  
   38    39    40    48    51    52    57    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    51    52    57    49    42    43    44    45  
   40    41    46    51    42    43    44    45  
   41    46    47    48    51    53    54    49    50    42    43    44    45  
   46    47    48    49    42  
   43    44    45    46    51  
   44    45  
   45  
    0  
   47    48    51    52    57    73    53    58    59    54    55    56    63    49    50  
   48    51    53    54    49    50  
   51    52    57    65    70    73    74    75    53    58    67    72    59    60    61    62    54    55    56    63    64    49    50  
   50    51    53    54  
    0  
   52    57    65    66    70    73    53    58    59    54    55    56    63  
   57    65    53    54  
   58    67    68    69    72    59    60    61    62    76    54    55    56    63    57    65    66    70    71    73    74    75  
   55    56    63    64    57    58    59    73  
   56    63    64  
   63    64  
   65    66    70    71    73    58    67    72    76  
   67    68    69    72    59    60    61    62    76    65    66    70    71    73    74    75  
   60    61    62    65    67    70    72    73    74    75  
   61    62    73  
   62    73  
   73  
   64  
    0  
   66    70    71    73    74    75    67    68    69    72    76    77  
   70    71    73    67    72    76  
   68    69    72    70    73  
   69    72  
   72  
   71    73    74    75    72    76    77  
   73    74    75    76    77  
   73  
   74    75    76    77  
   75    76  
   76  
   77  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660   0.145000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   320.000  1.410
   48    51   268.000  1.529
   48    53   268.000  1.529
   48    54   268.000  1.529
   51    52   340.000  1.090
   51    57   320.000  1.410
   57    65   320.000  1.410
   65    66   340.000  1.090
   65    70   268.000  1.529
   65    58   275.000  1.510
   70    71   340.000  1.090
   70    73   268.000  1.529
   70    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    53   268.000  1.529
   53    58   275.000  1.510
   53    59   268.000  1.529
   58    67   260.000  1.509
   58    72   335.000  1.432
   67    68   340.000  1.088
   67    69   340.000  1.088
   67    72   335.000  1.432
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   76    77   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   320.000  1.410
   63    64   553.000  0.945
   49    50   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    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    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    70.00000  116.00000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    35.00000  109.50000
   40    46    48    63.00000  111.10000
   40    46    49    90.00000  109.61100
   46    40    41    80.00000  120.40000
   46    48    51    58.35000  112.70000
   46    48    53    58.35000  112.70000
   46    48    54    58.35000  112.70000
   46    49    50    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    57    50.00000  109.50000
   48    53    73    58.35000  112.70000
   48    53    58    70.00000  112.37300
   48    53    59    58.35000  112.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    63    50.00000  109.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    57    65    60.00000  109.50000
   57    51    52    35.00000  109.50000
   57    65    66    35.00000  109.50000
   57    65    70    50.00000  109.50000
   57    65    58    50.00000  109.50000
   65    70    71    37.50000  110.70000
   65    70    73    58.35000  112.70000
   65    70    76    50.00000  109.50000
   65    58    53    58.35000  112.70000
   65    58    67    60.00000  120.94000
   65    58    72    80.00000  116.47100
   70    65    66    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    53    58.35000  112.70000
   70    76    77    55.00000  108.50000
   73    70    71    37.50000  110.70000
   73    53    58    70.00000  112.37300
   73    53    59    58.35000  112.70000
   75    73    74    33.00000  107.80000
   53    48    51    58.35000  112.70000
   53    73    74    37.50000  110.70000
   53    73    75    37.50000  110.70000
   53    58    67    60.00000  120.94000
   53    58    72    80.00000  116.47100
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   58    65    66    45.00000  109.38400
   58    65    70    70.00000  112.37300
   58    67    68    37.50000  117.20000
   58    67    69    37.50000  117.20000
   58    67    72    15.00000   60.43100
   58    72    67    15.00000   59.14900
   69    67    68    35.00000  114.30000
   72    58    67    15.00000   60.43100
   72    67    68    50.00000  114.27700
   72    67    69    50.00000  114.27700
   59    53    58    70.00000  112.37300
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   76    70    71    35.00000  109.50000
   76    70    73    50.00000  109.50000
   54    48    51    58.35000  112.70000
   54    48    53    58.35000  112.70000
   54    63    64    55.00000  108.50000
   56    54    55    33.00000  107.80000
   63    54    55    35.00000  109.50000
   63    54    56    35.00000  109.50000
   49    46    47    35.00000  109.50000
   49    46    48    50.00000  109.50000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    57   0.56750  1.0 1.0
   29    33    51    57  -0.07550 -1.0 2.0
   29    33    51    57   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    46   0.60050  1.0 1.0
   33    38    40    46   0.05600 -1.0 2.0
   33    38    40    46   0.26150  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    45   0.15000  1.0 3.0
   33    51    57    65   0.06250  1.0 1.0
   33    51    57    65  -0.01100 -1.0 2.0
   33    51    57    65   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    57   0.23400  1.0 3.0
   38    33    51    48   0.56750  1.0 1.0
   38    33    51    48  -0.07550 -1.0 2.0
   38    33    51    48   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    57   0.62750  1.0 1.0
   38    33    51    57  -0.30950 -1.0 2.0
   38    33    51    57   0.27300  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40   -46    48   0.60050  1.0 1.0
   38    40   -46    48   0.05600 -1.0 2.0
   38    40   -46    48   0.26150  1.0 3.0
   38    40    46    49   0.55300  1.0 1.0
   38    40    46    49   1.25850 -1.0 2.0
   38    40    46    49  -0.23600  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    46   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    45  -0.11250  1.0 3.0
   40    46    48    51  -0.95700  1.0 1.0
   40    46    48    51  -0.18200 -1.0 2.0
   40    46    48    51   0.29450  1.0 3.0
   40    46    48    53  -0.95700  1.0 1.0
   40    46    48    53  -0.18200 -1.0 2.0
   40    46    48    53   0.29450  1.0 3.0
   40    46    48    54  -0.95700  1.0 1.0
   40    46    48    54  -0.18200 -1.0 2.0
   40    46    48    54   0.29450  1.0 3.0
   40    46    49    50   0.91850  1.0 1.0
   40    46    49    50   0.57950  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    48   0.30150 -1.0 2.0
   41    40    46    49   0.30150 -1.0 2.0
   46    48   -51    33   0.56750  1.0 1.0
   46    48   -51    33  -0.07550 -1.0 2.0
   46    48   -51    33   0.20000  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    57   0.62750  1.0 1.0
   46    48    51    57  -0.30950 -1.0 2.0
   46    48    51    57   0.27300  1.0 3.0
   46    48    53    73   0.56750  1.0 1.0
   46    48    53    73  -0.07550 -1.0 2.0
   46    48    53    73   0.20000  1.0 3.0
   46    48    53    58   0.47050  1.0 1.0
   46    48    53    58   0.03900 -1.0 2.0
   46    48    53    58   0.20100  1.0 3.0
   46    48    53    59   0.56750  1.0 1.0
   46    48    53    59  -0.07550 -1.0 2.0
   46    48    53    59   0.20000  1.0 3.0
   46    48    54    55   0.15000  1.0 3.0
   46    48    54    56   0.15000  1.0 3.0
   46    48    54    63   0.86500  1.0 1.0
   46    48    54    63  -0.17500 -1.0 2.0
   46    48    54    63   0.20800  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   47    46    48    53   0.15000  1.0 3.0
   47    46    48    54   0.15000  1.0 3.0
   47    46    49    50   0.19450  1.0 3.0
   48    46    49    50  -0.11600  1.0 1.0
   48    46    49    50  -0.09450 -1.0 2.0
   48    46    49    50   0.21250  1.0 3.0
   48    51    57    65   0.06250  1.0 1.0
   48    51    57    65  -0.01100 -1.0 2.0
   48    51    57    65   0.28050  1.0 3.0
   48    53   -58    65   0.56750  1.0 1.0
   48    53   -58    65  -0.07550 -1.0 2.0
   48    53   -58    65   0.20000  1.0 3.0
   48    53    58    67   0.07850  1.0 1.0
   48    53    58    67  -0.03950 -1.0 2.0
   48    53    58    67   0.67350  1.0 3.0
   48    53    58    72   0.02550  1.0 1.0
   48    53    58    72  -0.02600 -1.0 2.0
   48    53    58    72   1.20400  1.0 3.0
   48    53    59    60   0.15000  1.0 3.0
   48    53    59    61   0.15000  1.0 3.0
   48    53    59    62   0.15000  1.0 3.0
   48    54    63    64  -0.11600  1.0 1.0
   48    54    63    64  -0.09450 -1.0 2.0
   48    54    63    64   0.21250  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40  -0.95700  1.0 1.0
   51    33   -38    40  -0.18200 -1.0 2.0
   51    33   -38    40   0.29450  1.0 3.0
   51    33    38    42   0.56750  1.0 1.0
   51    33    38    42  -0.07550 -1.0 2.0
   51    33    38    42   0.20000  1.0 3.0
   51    48    53    73   0.56750  1.0 1.0
   51    48    53    73  -0.07550 -1.0 2.0
   51    48    53    73   0.20000  1.0 3.0
   51    48    53    58   0.47050  1.0 1.0
   51    48    53    58   0.03900 -1.0 2.0
   51    48    53    58   0.20100  1.0 3.0
   51    48    53    59   0.56750  1.0 1.0
   51    48    53    59  -0.07550 -1.0 2.0
   51    48    53    59   0.20000  1.0 3.0
   51    48    54    55   0.15000  1.0 3.0
   51    48    54    56   0.15000  1.0 3.0
   51    48    54    63   0.86500  1.0 1.0
   51    48    54    63  -0.17500 -1.0 2.0
   51    48    54    63   0.20800  1.0 3.0
   51    57    65    66   0.37050  1.0 3.0
   51    57    65    70   0.06250  1.0 1.0
   51    57    65    70  -0.01100 -1.0 2.0
   51    57    65    70   0.28050  1.0 3.0
   51    57   -65    58   0.06250  1.0 1.0
   51    57   -65    58  -0.01100 -1.0 2.0
   51    57   -65    58   0.28050  1.0 3.0
   52    51    57    65   0.37050  1.0 3.0
   57    65    70    71   0.23400  1.0 3.0
   57    65    70    73   0.62750  1.0 1.0
   57    65    70    73  -0.30950 -1.0 2.0
   57    65    70    73   0.27300  1.0 3.0
   57    65    70    76   3.69350  1.0 1.0
   57    65    70    76  -1.82950 -1.0 2.0
   57    65    58    53   0.62750  1.0 1.0
   57    65    58    53  -0.30950 -1.0 2.0
   57    65    58    53   0.27300  1.0 3.0
   57    65    58    67  -0.26800  1.0 1.0
   57    65    58    67   0.69150 -1.0 2.0
   57    65    58    67  -0.48750  1.0 3.0
   57    65    58    72   1.11900  1.0 1.0
   57    65    58    72  -1.16350 -1.0 2.0
   57    65    58    72  -0.34150  1.0 3.0
   65    70    73    74   0.15000  1.0 3.0
   65    70    73    75   0.15000  1.0 3.0
   65    70   -73    53   0.56750  1.0 1.0
   65    70   -73    53  -0.07550 -1.0 2.0
   65    70   -73    53   0.20000  1.0 3.0
   65    70    76    77  -0.11600  1.0 1.0
   65    70    76    77  -0.09450 -1.0 2.0
   65    70    76    77   0.21250  1.0 3.0
   65    58    67    68   0.15000  1.0 3.0
   65    58    67    69   0.15000  1.0 3.0
   65    58   -67    72   0.02550  1.0 1.0
   65    58   -67    72  -0.02600 -1.0 2.0
   65    58   -67    72   1.20400  1.0 3.0
   65    58   -72    67   0.06250  1.0 1.0
   65    58   -72    67  -0.01100 -1.0 2.0
   65    58   -72    67   0.28050  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   66    65    70    76   0.23400  1.0 3.0
   66    65    58    53   0.15000  1.0 3.0
   66    65    58    67   0.15000  1.0 3.0
   66    65    58    72   0.23400  1.0 3.0
   70    65   -58    53   0.56750  1.0 1.0
   70    65   -58    53  -0.07550 -1.0 2.0
   70    65   -58    53   0.20000  1.0 3.0
   70    65    58    67   0.07850  1.0 1.0
   70    65    58    67  -0.03950 -1.0 2.0
   70    65    58    67   0.67350  1.0 3.0
   70    65    58    72   0.02550  1.0 1.0
   70    65    58    72  -0.02600 -1.0 2.0
   70    65    58    72   1.20400  1.0 3.0
   70    73    53    48   0.56750  1.0 1.0
   70    73    53    48  -0.07550 -1.0 2.0
   70    73    53    48   0.20000  1.0 3.0
   70    73   -53    58   0.47050  1.0 1.0
   70    73   -53    58   0.03900 -1.0 2.0
   70    73   -53    58   0.20100  1.0 3.0
   70    73    53    59   0.56750  1.0 1.0
   70    73    53    59  -0.07550 -1.0 2.0
   70    73    53    59   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    53   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   73    70    76    77  -0.11600  1.0 1.0
   73    70    76    77  -0.09450 -1.0 2.0
   73    70    76    77   0.21250  1.0 3.0
   73    53   -58    65   0.56750  1.0 1.0
   73    53   -58    65  -0.07550 -1.0 2.0
   73    53   -58    65   0.20000  1.0 3.0
   73    53    58    67   0.07850  1.0 1.0
   73    53    58    67  -0.03950 -1.0 2.0
   73    53    58    67   0.67350  1.0 3.0
   73    53    58    72   0.02550  1.0 1.0
   73    53    58    72  -0.02600 -1.0 2.0
   73    53    58    72   1.20400  1.0 3.0
   73    53    59    60   0.15000  1.0 3.0
   73    53    59    61   0.15000  1.0 3.0
   73    53    59    62   0.15000  1.0 3.0
   74    73    53    48   0.15000  1.0 3.0
   74    73    53    58   0.15000  1.0 3.0
   74    73    53    59   0.15000  1.0 3.0
   75    73    53    48   0.15000  1.0 3.0
   75    73    53    58   0.15000  1.0 3.0
   75    73    53    59   0.15000  1.0 3.0
   53    48    51    33   0.56750  1.0 1.0
   53    48    51    33  -0.07550 -1.0 2.0
   53    48    51    33   0.20000  1.0 3.0
   53    48    51    52   0.15000  1.0 3.0
   53    48   -51    57   0.62750  1.0 1.0
   53    48   -51    57  -0.30950 -1.0 2.0
   53    48   -51    57   0.27300  1.0 3.0
   53    48    54    55   0.15000  1.0 3.0
   53    48    54    56   0.15000  1.0 3.0
   53    48    54    63   0.86500  1.0 1.0
   53    48    54    63  -0.17500 -1.0 2.0
   53    48    54    63   0.20800  1.0 3.0
   53    58    67    68   0.15000  1.0 3.0
   53    58    67    69   0.15000  1.0 3.0
   53    58   -67    72   0.02550  1.0 1.0
   53    58   -67    72  -0.02600 -1.0 2.0
   53    58   -67    72   1.20400  1.0 3.0
   53    58   -72    67   0.06250  1.0 1.0
   53    58   -72    67  -0.01100 -1.0 2.0
   53    58   -72    67   0.28050  1.0 3.0
   58    65    70    71   0.15000  1.0 3.0
   58    65   -70    73   0.47050  1.0 1.0
   58    65   -70    73   0.03900 -1.0 2.0
   58    65   -70    73   0.20100  1.0 3.0
   58    65    70    76   0.86500  1.0 1.0
   58    65    70    76  -0.17500 -1.0 2.0
   58    65    70    76   0.20800  1.0 3.0
   58    53    59    60   0.15000  1.0 3.0
   58    53    59    61   0.15000  1.0 3.0
   58    53    59    62   0.15000  1.0 3.0
   68    67   -72    58   0.36800  1.0 3.0
   69    67   -72    58   0.36800  1.0 3.0
   72    58   -67    68   0.23400  1.0 3.0
   72    58   -67    69   0.23400  1.0 3.0
   59    53    58    65   0.56750  1.0 1.0
   59    53    58    65  -0.07550 -1.0 2.0
   59    53    58    65   0.20000  1.0 3.0
   59    53    58    67   0.07850  1.0 1.0
   59    53    58    67  -0.03950 -1.0 2.0
   59    53    58    67   0.67350  1.0 3.0
   59    53    58    72   0.02550  1.0 1.0
   59    53    58    72  -0.02600 -1.0 2.0
   59    53    58    72   1.20400  1.0 3.0
   76    70    73    74   0.23400  1.0 3.0
   76    70    73    75   0.23400  1.0 3.0
   76    70    73    53   0.86500  1.0 1.0
   76    70    73    53  -0.17500 -1.0 2.0
   76    70    73    53   0.20800  1.0 3.0
   54    48    51    33   0.56750  1.0 1.0
   54    48    51    33  -0.07550 -1.0 2.0
   54    48    51    33   0.20000  1.0 3.0
   54    48    51    52   0.15000  1.0 3.0
   54    48    51    57   0.62750  1.0 1.0
   54    48    51    57  -0.30950 -1.0 2.0
   54    48    51    57   0.27300  1.0 3.0
   54    48    53    73   0.56750  1.0 1.0
   54    48    53    73  -0.07550 -1.0 2.0
   54    48    53    73   0.20000  1.0 3.0
   54    48    53    58   0.47050  1.0 1.0
   54    48    53    58   0.03900 -1.0 2.0
   54    48    53    58   0.20100  1.0 3.0
   54    48    53    59   0.56750  1.0 1.0
   54    48    53    59  -0.07550 -1.0 2.0
   54    48    53    59   0.20000  1.0 3.0
   55    54    63    64   0.19450  1.0 3.0
   56    54    63    64   0.19450  1.0 3.0
   49    46    48    51   0.86500  1.0 1.0
   49    46    48    51  -0.17500 -1.0 2.0
   49    46    48    51   0.20800  1.0 3.0
   49    46    48    53   0.86500  1.0 1.0
   49    46    48    53  -0.17500 -1.0 2.0
   49    46    48    53   0.20800  1.0 3.0
   49    46    48    54   0.86500  1.0 1.0
   49    46    48    54  -0.17500 -1.0 2.0
   49    46    48    54   0.20800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.60050  1.0 1.0
   42    38    40    46   0.05600 -1.0 2.0
   42    38    40    46   0.26150  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
   37    30    35    36  10.50000 -1.0 2.0
   38    46    40    41  10.50000 -1.0 2.0
END
