* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    150    238     447
    1     0 S   NP   _N1_     1    28.75169    95.01870   -20.47588
    2     1 S   H    _HN1     2     1.02962    92.27216    33.85569
    3     1 S   H    _H1_     3     1.02837    33.98306   151.62289
    4     1 S   H    _H2_     4     1.02778    84.49462   -74.33830
    5     1 S   CT   _CA1     5     1.50111   144.22779   164.54650
    6     5 S   HC   _HA1     6     1.09569   105.27588    51.50580
    7     5 S   CO3  _C1_     7     1.53825   112.32997   -68.81892
    8     7 S   O2Z  _O11     8     1.26363   115.01034   -44.43587
    9     7 S   O2Z  _O12     9     1.26236   114.93110   134.79487
   10     5 S   CT   _CB1    10     1.53088   107.43751   169.50399
   11    10 S   HC   HB11    11     1.09819   109.48113   -49.99626
   12    10 S   HC   HB12    12     1.09833   110.34319    66.58943
   13    10 S   CT   _CG1    13     1.53012   112.64913  -171.10870
   14    13 S   HC   HG11    14     1.09589   110.32528   -60.29343
   15    13 S   HC   HG12    15     1.09623   110.17222    58.93800
   16    13 S   C    _CD1    16     1.51787   112.14649   179.27964
   17    16 S   O    _OE1    17     1.22729   123.19995    -9.84341
   18    16 S   N    _N2_    18     1.38613   111.68612   170.32523
   19    18 S   H    _HN2    19     1.01591   119.02586     2.02236
   20    18 S   CT1  _CA2    20     1.46290   123.37619  -176.27764
   21    20 S   HC   _HA2    21     1.09729   109.34201   -16.17541
   22    20 S   C    _C2_    22     1.53349   108.38609  -132.05893
   23    22 S   O    _O2_    23     1.23005   122.26188  -145.68652
   24    20 S   CT   _CB2    32     1.53508   111.15113   105.82569
   25    24 S   HC   HB21    33     1.09588   109.51788    55.55683
   26    24 S   HC   HB22    34     1.09498   110.81567   174.33936
   27    22 S   N    _N3_    24     1.38514   113.30957    41.67094
   28    27 S   H    _HN3    25     1.01535   118.90720    -0.56023
   29    24 S   S    _SG2    35     1.82811   111.54831   -65.89446
   30    27 S   CT   _CA3    26     1.45450   123.42959   175.09615
   31    30 S   HC   HA31    27     1.09525   109.21468    24.74416
   32    30 S   HC   HA32    28     1.09495   107.12526   141.74776
   33    29 S   CT   _C16    36     1.83245    99.71011   151.22477
   34    33 S   HC   _H3_    37     1.09604   109.29956   -46.54703
   35    30 S   CO3  _C3_    29     1.52930   113.13828   -98.71644
   36    35 S   O2Z  _O31    30     1.26402   115.41786   -44.10491
   37    35 S   O2Z  _O32    31     1.26358   114.97363   136.83504
   38    33 S   CT   _C9_    38     1.52709   107.66228    73.99436
   39    38 S   HC   _H26    39     1.09538   113.64442    36.42755
   40    38 S   HC   _H27    40     1.09357   111.67126   -89.35378
   41    38 S   CO4  _C6_    41     1.49837   103.00106   152.28831
   42    41 S   O    _O19    42     1.22625   122.38636   168.53867
   43    41 S   CT   _C17    43     1.52762   113.17096   -10.74726
   44    33 S   CT   _C12    44     1.55319   114.23399  -169.67482
   45    44 S   HC   _H31    45     1.09882   106.43464   -41.52659
   46    43 S   CT   _C15    62     1.56381   108.80557  -132.84668
   47    46 S   HC   _H34    63     1.09806   109.13356    21.01413
   48    43 S   CT   _C20    75     1.54654   104.13755   105.70758
   49    48 S   HC   _H42    76     1.09312   112.30161   173.91343
   50    48 S   HC   _H43    77     1.09689   111.54406    53.52794
   51    48 S   HC   _H44    78     1.09582   111.73820   -64.86538
   52    44 S   CT   _C13    46     1.56563   116.40429    79.42885
   53    52 S   HC   _H32    47     1.09502   109.05371    75.23379
   54    46 S   OS   _O22    64     1.45368   108.68969   -98.32833
   55    52 S   CT   _C10    48     1.54513   113.19866  -165.41806
   56    55 S   HC   _H28    49     1.09945   109.40013    72.14167
   57    55 S   HC   _H29    50     1.09929   108.73337  -174.41665
   58    54 S   CO4  _C8_    65     1.36222   119.01082   110.73995
   59    58 S   O    _O20    66     1.22265   126.76965     1.88844
   60    52 S   CT   _C19    71     1.53533   114.96515   -42.01056
   61    60 S   HC   _H39    72     1.09439   111.62721   -59.00731
   62    60 S   HC   _H40    73     1.09619   110.57345  -178.30811
   63    60 S   HC   _H41    74     1.09364   111.45697    63.88568
   64    55 S   CT   _C14    51     1.52834   117.03130   -52.15101
   65    64 S   HC   _H33    52     1.09509   110.39712   -59.61160
   66    58 S   CT   _C18    67     1.49842   109.28225  -178.63155
   67    66 S   HC   _H36    68     1.09288   109.79933   -62.22609
   68    66 S   HC   _H37    69     1.09376   109.37327   178.63427
   69    66 S   HC   _H38    70     1.09299   109.82650    59.67207
   70    64 S   CT   _C11    53     1.52154   112.84538    68.15874
   71    70 S   HC   _H30    54     1.09814   109.70367    29.69279
   72    70 S   CM   _C4_    55     1.49435   101.04424   140.87481
   73    72 S   CO4  _C5_    56     1.47532   108.97372   -18.06553
   74    73 S   O    _O18    57     1.21754   127.06418  -172.57418
   75    72 S   CM   _C7_    59     1.33618   129.71457   163.04649
   76    75 S   HC   _H24    60     1.08456   121.18419     0.20367
   77    75 S   HC   _H25    61     1.08531   121.72281   179.52687
   78    64 S   OS   _O21    58     1.44372   107.48031  -175.31349
  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
  15   8   2   1   1  10   5   4  13   4  18  19   6  19   7   6
   2   1   1  12   8  10  13   6   5   6   4   4   2   1   1   8
   5   3   2   1   1   8   4   6   5   2   3   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    52    53    55    46    60    48  
   38    39    40    41    43    44    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    46    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    52    70    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    55    64    70    71    72    46    47    54    58    60    48    49    50    51  
   45    52    53    55    56    57    64    70    46    47    54    60    61    62    63    48    49    50    51  
   52    53    55    46    60    48  
   47    54    58    59    66    48    49    50    51    52    55    64    65    70    71    72    73    75    78  
   54    58    48    64    70    71    72  
   49    50    51    52    54    70  
   50    51  
   51  
    0  
   53    55    56    57    64    65    70    78    60    61    62    63  
   55    56    57    64    60    61    62    63  
   58    59    66    67    68    69    64    70    71    72  
   56    57    64    65    70    71    72    73    78    60    61    62    63  
   57    64    65    70    78    60  
   64    65    70    78    60  
   59    66    67    68    69    70  
   66    67    68    69  
   61    62    63    64  
   62    63  
   63  
    0  
   65    70    71    72    73    74    78    75  
   70    71    72    73    78  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    78    75    76    77  
   72    73    78    75  
   73    74    78    75    76    77  
   74    78    75    76    77  
   78    75  
   76    77    78  
   77  
    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   1.4250   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   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    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    60   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    78   320.000  1.410
   70    71   340.000  1.090
   70    72   317.000  1.510
   70    46   268.000  1.529
   72    73   320.000  1.462
   72    75   549.000  1.340
   73    74   570.000  1.229
   73    78   214.000  1.327
   75    76   340.000  1.080
   75    77   340.000  1.080
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    58   214.000  1.327
   58    59   570.000  1.229
   58    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    46    70    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    55    58.35000  112.70000
   44    52    60    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    64    58.35000  112.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   55    52    53    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    70    58.35000  112.70000
   55    64    78    50.00000  109.50000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    70.00000  112.02700
   64    70    46    58.35000  112.70000
   64    78    73    83.00000  116.90000
   70    64    65    37.50000  110.70000
   70    72    73    65.00000  116.34900
   70    72    75    70.00000  124.00000
   70    46    47    37.50000  110.70000
   70    46    54    50.00000  109.50000
   72    70    71    35.00000  109.50000
   72    73    74    80.00000  123.72100
   72    73    78    90.00000  111.29400
   72    75    76    35.00000  120.00000
   72    75    77    35.00000  120.00000
   78    64    65    35.00000  109.50000
   78    64    70    50.00000  109.50000
   78    73    74    83.00000  123.40000
   75    72    73    65.00000  118.96000
   77    75    76    35.00000  117.00000
   46    43    44    58.35000  112.70000
   46    70    71    37.50000  110.70000
   46    70    72    70.00000  112.02700
   46    54    58    83.00000  116.90000
   54    46    47    35.00000  109.50000
   54    58    59    83.00000  123.40000
   54    58    66    81.00000  111.40000
   58    66    67    35.00000  109.50000
   58    66    68    35.00000  109.50000
   58    66    69    35.00000  109.50000
   66    58    59    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    55    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.44750  1.0 1.0
   29    33    44    43  -0.17800 -1.0 2.0
   29    33    44    43   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    52   0.44750  1.0 1.0
   29    33    44    52  -0.17800 -1.0 2.0
   29    33    44    52   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    44    52    53   0.15000  1.0 3.0
   33    44    52    55   0.56750  1.0 1.0
   33    44    52    55  -0.07550 -1.0 2.0
   33    44    52    55   0.20000  1.0 3.0
   33    44    52    60   0.56750  1.0 1.0
   33    44    52    60  -0.07550 -1.0 2.0
   33    44    52    60   0.20000  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    41  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    52   0.15000  1.0 3.0
   38    33   -44    43   0.56750  1.0 1.0
   38    33   -44    43  -0.07550 -1.0 2.0
   38    33   -44    43   0.20000  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    52   0.56750  1.0 1.0
   38    33    44    52  -0.07550 -1.0 2.0
   38    33    44    52   0.20000  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    46   0.60050  1.0 1.0
   38    41    43    46   0.05600 -1.0 2.0
   38    41    43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.95700  1.0 1.0
   41    43   -44    33  -0.18200 -1.0 2.0
   41    43   -44    33   0.29450  1.0 3.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    46    70  -0.95700  1.0 1.0
   41    43    46    70  -0.18200 -1.0 2.0
   41    43    46    70   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    54  -0.09450  1.0 1.0
   41    43    46    54  -1.12950 -1.0 2.0
   41    43    46    54   0.54000  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    55   0.56750  1.0 1.0
   43    44    52    55  -0.07550 -1.0 2.0
   43    44    52    55   0.20000  1.0 3.0
   43    44    52    60   0.56750  1.0 1.0
   43    44    52    60  -0.07550 -1.0 2.0
   43    44    52    60   0.20000  1.0 3.0
   43    46    54    58  -0.25900  1.0 1.0
   43    46    54    58  -0.47000 -1.0 2.0
   43    46    54    58   0.11750  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    70   0.56750  1.0 1.0
   44    43    46    70  -0.07550 -1.0 2.0
   44    43    46    70   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.62750  1.0 1.0
   44    43    46    54  -0.30950 -1.0 2.0
   44    43    46    54   0.27300  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    55    56   0.15000  1.0 3.0
   44    52    55    57   0.15000  1.0 3.0
   44    52    55    64   0.56750  1.0 1.0
   44    52    55    64  -0.07550 -1.0 2.0
   44    52    55    64   0.20000  1.0 3.0
   44    52    60    61   0.15000  1.0 3.0
   44    52    60    62   0.15000  1.0 3.0
   44    52    60    63   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   45    44    52    60   0.15000  1.0 3.0
   52    55    64    65   0.15000  1.0 3.0
   52    55    64    70   0.56750  1.0 1.0
   52    55    64    70  -0.07550 -1.0 2.0
   52    55    64    70   0.20000  1.0 3.0
   52    55    64    78   0.62750  1.0 1.0
   52    55    64    78  -0.30950 -1.0 2.0
   52    55    64    78   0.27300  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    64   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   55    52    60    61   0.15000  1.0 3.0
   55    52    60    62   0.15000  1.0 3.0
   55    52    60    63   0.15000  1.0 3.0
   55    64    70    71   0.15000  1.0 3.0
   55    64    70    72   0.34400  1.0 1.0
   55    64    70    72   0.09450 -1.0 2.0
   55    64    70    72   0.11100  1.0 3.0
   55    64    70    46   0.56750  1.0 1.0
   55    64    70    46  -0.07550 -1.0 2.0
   55    64    70    46   0.20000  1.0 3.0
   55    64    78    73  -0.25900  1.0 1.0
   55    64    78    73  -0.47000 -1.0 2.0
   55    64    78    73   0.11750  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    70   0.15000  1.0 3.0
   56    55    64    78   0.23400  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    70   0.15000  1.0 3.0
   57    55    64    78   0.23400  1.0 3.0
   64    70   -72    73   0.09700  1.0 1.0
   64    70   -72    73   0.15600 -1.0 2.0
   64    70   -72    73  -0.50800  1.0 3.0
   64    70    72    75   0.09850  1.0 1.0
   64    70    72    75   0.15250 -1.0 2.0
   64    70    72    75  -0.50650  1.0 3.0
   64    70    46    43   0.56750  1.0 1.0
   64    70    46    43  -0.07550 -1.0 2.0
   64    70    46    43   0.20000  1.0 3.0
   64    70    46    47   0.15000  1.0 3.0
   64    70    46    54   0.62750  1.0 1.0
   64    70    46    54  -0.30950 -1.0 2.0
   64    70    46    54   0.27300  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    46   0.15000  1.0 3.0
   65    64    78    73   0.08050  1.0 3.0
   70    64   -78    73  -0.25900  1.0 1.0
   70    64   -78    73  -0.47000 -1.0 2.0
   70    64   -78    73   0.11750  1.0 3.0
   70    72    73    74  -0.64400  1.0 1.0
   70    72    73    74   0.26850 -1.0 2.0
   70    72   -73    78  -0.15000  1.0 1.0
   70    72   -73    78   0.89550 -1.0 2.0
   70    72   -73    78  -0.06900  1.0 3.0
   70    72    75    76   7.00000 -1.0 2.0
   70    72    75    77   7.00000 -1.0 2.0
   70    46    54    58  -0.25900  1.0 1.0
   70    46    54    58  -0.47000 -1.0 2.0
   70    46    54    58   0.11750  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    75   0.00000  1.0 1.0
   71    70    46    43   0.15000  1.0 3.0
   71    70    46    47   0.15000  1.0 3.0
   71    70    46    54   0.23400  1.0 3.0
   72    70    46    43   0.34400  1.0 1.0
   72    70    46    43   0.09450 -1.0 2.0
   72    70    46    43   0.11100  1.0 3.0
   72    70    46    47   0.15000  1.0 3.0
   72    70    46    54   0.61850  1.0 1.0
   72    70    46    54  -0.22750 -1.0 2.0
   72    70    46    54   0.15300  1.0 3.0
   72    73   -78    64   2.00000 -1.0 2.0
   73    72    75    76   7.00000 -1.0 2.0
   73    72    75    77   7.00000 -1.0 2.0
   74    73    78    64   3.00000 -1.0 2.0
   78    64    70    71   0.23400  1.0 3.0
   78    64   -70    72   0.61850  1.0 1.0
   78    64   -70    72  -0.22750 -1.0 2.0
   78    64   -70    72   0.15300  1.0 3.0
   78    64    70    46   0.62750  1.0 1.0
   78    64    70    46  -0.30950 -1.0 2.0
   78    64    70    46   0.27300  1.0 3.0
   75    72    73    74   1.00000 -1.0 2.0
   75    72    73    78  -0.56150  1.0 1.0
   75    72    73    78   2.19150 -1.0 2.0
   46    43    44    33   0.56750  1.0 1.0
   46    43    44    33  -0.07550 -1.0 2.0
   46    43    44    33   0.20000  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.56750  1.0 1.0
   46    43    44    52  -0.07550 -1.0 2.0
   46    43    44    52   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    70    72    73   0.09700  1.0 1.0
   46    70    72    73   0.15600 -1.0 2.0
   46    70    72    73  -0.50800  1.0 3.0
   46    70    72    75   0.09850  1.0 1.0
   46    70    72    75   0.15250 -1.0 2.0
   46    70    72    75  -0.50650  1.0 3.0
   46    54    58    59   3.00000 -1.0 2.0
   46    54    58    66   1.63150  1.0 1.0
   46    54    58    66   2.92000 -1.0 2.0
   47    46    54    58   0.08050  1.0 3.0
   54    58    66    67   0.00000  1.0 1.0
   54    58    66    68   0.00000  1.0 1.0
   54    58    66    69   0.00000  1.0 1.0
   59    58    66    67   0.00000  1.0 1.0
   59    58    66    68   0.00000  1.0 1.0
   59    58    66    69   0.00000  1.0 1.0
   60    52    55    56   0.15000  1.0 3.0
   60    52    55    57   0.15000  1.0 3.0
   60    52    55    64   0.56750  1.0 1.0
   60    52    55    64  -0.07550 -1.0 2.0
   60    52    55    64   0.20000  1.0 3.0
   48    43    44    33   0.56750  1.0 1.0
   48    43    44    33  -0.07550 -1.0 2.0
   48    43    44    33   0.20000  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    46    70   0.56750  1.0 1.0
   48    43    46    70  -0.07550 -1.0 2.0
   48    43    46    70   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    54   0.62750  1.0 1.0
   48    43    46    54  -0.30950 -1.0 2.0
   48    43    46    54   0.27300  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    43    41    42  10.50000 -1.0 2.0
   70    73    72    75   1.10000 -1.0 2.0
   72    78    73    74  10.50000 -1.0 2.0
   76    77    75    72   1.10000 -1.0 2.0
   54    66    58    59  10.50000 -1.0 2.0
END
