* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    142    207     408
    1     0 S   NP   _N1_     1    29.39082    94.46890   -26.17509
    2     1 S   H    _HN1     2     1.02826    19.15253   170.89821
    3     1 S   H    _H1_     3     1.02804   117.41742  -125.21111
    4     1 S   H    _H2_     4     1.02943    88.06527   -15.49093
    5     1 S   CT   _CA1     5     1.50131   117.30175    96.60736
    6     5 S   HC   _HA1     6     1.09566   105.15800    79.04324
    7     5 S   CO3  _C1_     7     1.53724   112.52784   -41.20858
    8     7 S   O2Z  _O11     8     1.26386   115.08111   -40.59319
    9     7 S   O2Z  _O12     9     1.26198   114.99766   138.69209
   10     5 S   CT   _CB1    10     1.53058   107.40050  -162.89716
   11    10 S   HC   HB11    11     1.09848   109.36614   -48.15927
   12    10 S   HC   HB12    12     1.09802   110.42515    68.35679
   13    10 S   CT   _CG1    13     1.53077   112.77409  -169.01008
   14    13 S   HC   HG11    14     1.09540   110.88970   -67.24358
   15    13 S   HC   HG12    15     1.09654   109.63987    52.03651
   16    13 S   C    _CD1    16     1.51832   111.67283   172.60761
   17    16 S   O    _OE1    17     1.22761   122.99522    16.98253
   18    16 S   N    _N2_    18     1.38644   112.07549  -163.31449
   19    18 S   H    _HN2    19     1.01571   119.02153     1.21515
   20    18 S   CT1  _CA2    20     1.46328   123.25637   176.14237
   21    20 S   HC   _HA2    21     1.09740   109.26603     6.59089
   22    20 S   C    _C2_    22     1.53616   108.72238  -108.90491
   23    22 S   O    _O2_    23     1.23069   122.22693  -148.23074
   24    20 S   CT   _CB2    32     1.53334   111.77983   128.57598
   25    24 S   HC   HB21    33     1.09599   110.13700    57.70559
   26    24 S   HC   HB22    34     1.09524   110.37747   176.94802
   27    22 S   N    _N3_    24     1.38302   113.79644    39.13279
   28    27 S   H    _HN3    25     1.01551   119.60721    -2.93612
   29    24 S   S    _SG2    35     1.82287   111.41796   -63.00740
   30    27 S   CT   _CA3    26     1.45281   123.34010   177.36084
   31    30 S   HC   HA31    27     1.09546   107.48091   -65.74683
   32    30 S   HC   HA32    28     1.09553   108.04764    50.73395
   33    29 S   CT   _C15    36     1.80953    99.05736   179.17386
   34    33 S   HC   _H14    37     1.09409   111.24426   -44.65924
   35    33 S   HC   _H15    38     1.09394   110.47385    75.85998
   36    30 S   CO3  _C3_    29     1.52992   113.99490   172.74620
   37    36 S   O2Z  _O31    30     1.26394   116.07296    -0.91386
   38    36 S   O2Z  _O32    31     1.26422   114.42125   179.15050
   39    33 S   CO4  _C14    39     1.51190   108.32178  -164.68287
   40    39 S   O    _O43    40     1.23118   121.19215   -85.95102
   41    39 S   CT   _C13    41     1.51754   116.11919    93.06842
   42    41 S   HC   _H12    42     1.09375   108.29604    65.54180
   43    41 S   HC   _H13    43     1.09346   108.73300   -54.07174
   44    41 S   OS   _O42    44     1.41236   110.59974  -174.14850
   45    44 S   P2   _P2_    45     1.63602   118.33061  -176.55679
   46    45 S   O2Z  _O41    46     1.51258   107.75219  -174.37991
   47    45 S   O2Z  _O40    47     1.51250   108.62419    52.91950
   48    45 S   OS   _O39    48     1.62499    98.95688   -61.21145
   49    48 S   P2   _P1_    49     1.62558   131.40293   168.10382
   50    49 S   O2Z  _O38    50     1.51282   109.53575    57.68956
   51    49 S   O2Z  _O37    51     1.51257   108.81013   -76.51523
   52    49 S   OS   _O36    52     1.63621    98.71333   171.22210
   53    52 S   CT   _C12    53     1.42510   118.70840   -65.73544
   54    53 S   HC   _H10    54     1.09422   107.73307  -106.42738
   55    53 S   HC   _H11    55     1.09465   109.61114    11.66192
   56    53 S   CT   _C11    56     1.52201   109.14116   133.26957
   57    56 S   HC   _H6_    57     1.09642   110.09215    49.73954
   58    56 S   CT   _C10    58     1.52633   114.93161   175.04342
   59    58 S   HC   _H5_    59     1.09393   113.12726   -83.33233
   60    58 S   CT   _C9_    60     1.51586   101.11142   155.94805
   61    60 S   HC   _H4_    61     1.09633   108.47667    78.98970
   62    58 S   OH   _O44    78     1.42319   112.31168    38.92598
   63    62 S   HO   _H16    79     0.97227   107.78968   -73.36808
   64    60 S   CO   _C8_    62     1.53214   103.53882   -35.42096
   65    64 S   HC   _H3_    63     1.09580   108.57898   139.20291
   66    60 S   OH   _O45    76     1.41243   114.10621  -160.96974
   67    66 S   HO   _H17    77     0.97224   107.44478   -48.76007
   68    64 S   N*   _N4_    64     1.47043   115.64897  -100.17720
   69    56 S   OS   _O35    75     1.44628   109.35386   -65.88694
   70    68 S   CM   _C5_    65     1.38208   120.92724    94.90512
   71    70 S   HC   _H8_    66     1.08345   117.42304     0.38052
   72    70 S   CM   _C4_    67     1.33445   123.33797   179.80719
   73    72 S   HC   _H7_    68     1.08282   121.99853  -179.31045
   74    72 S   C    _C7_    69     1.47316   119.26496     0.29871
   75    74 S   O    _O34    70     1.22693   121.07442   179.61134
   76    74 S   NNB  _N5_    71     1.38082   114.75367     0.00000
   77    76 S   H    _H9_    72     1.01413   116.78371   179.94405
   78    68 S   C    _C6_    73     1.40558   118.07913   -84.56359
   79    78 S   O    _O33    74     1.23281   124.43870     0.22206
  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   6   5   4   3
   8   4   3   2   1   1   6   4   7   3   2   5   7   3   2   5
   7   3   2   7  10   5   4  12   6  11   7  11   7   4   1  11
   5   3   1  10   2   8   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45  
   41    42    43    44  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45    46    47    48    49  
   46    47    48    49    50    51    52  
   47    48    49  
   48    49  
   49    50    51    52    53  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53  
   53    54    55    56    57    58    69  
   54    55    56    57    58    59    60    64    69    62  
   55    56    57    58    69  
   56    57    58    69  
   57    58    59    60    61    64    65    68    69    66    62    63  
   58    59    60    64    69    62  
   59    60    61    64    65    68    69    66    67    62    63  
   60    61    64    69    66    62    63  
   61    64    65    68    70    78    69    66    67    62    63  
   64    65    68    69    66    67    62  
   63    64    66    69  
    0  
   65    68    70    71    72    76    78    79    69    66    67  
   68    70    78    69    66  
   67    68    69  
    0  
   70    71    72    73    74    76    77    78    79    69  
   70    78  
   71    72    73    74    75    76    78    79  
   72    73    74    78  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79  
   76    77    78  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   46   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   49   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   50   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.510000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.2500   0.1700  -0.600000   1.8100   1.6000   0.054801302  -1.445846770
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0800   0.080000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0800  -0.070000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.450000   1.9250   1.7000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.420000   1.5250   1.4250   0.001000000  -1.480495490
   76   3.2500   0.1700  -0.510000   1.8100   1.6000   0.054801302  -1.445846770
   77   0.5000   0.0300   0.360000   1.5900   1.4000   0.030040813  -0.651083722
   78   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.400000   1.5250   1.4250   0.001000000  -1.480495490
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   317.000  1.522
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   320.000  1.410
   44    45   230.000  1.697
   45    46   525.000  1.480
   45    47   525.000  1.480
   45    48   230.000  1.697
   48    49   230.000  1.697
   49    50   525.000  1.480
   49    51   525.000  1.480
   49    52   230.000  1.697
   52    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    69   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   320.000  1.410
   60    61   340.000  1.090
   60    64   250.000  1.527
   60    66   320.000  1.410
   64    65   340.000  1.090
   64    68   275.000  1.479
   64    69   320.000  1.380
   68    70   448.000  1.365
   68    78   418.000  1.388
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   340.000  1.080
   72    74   410.000  1.444
   74    75   570.000  1.229
   74    76   418.000  1.388
   76    77   434.000  1.010
   76    78   418.000  1.388
   78    79   570.000  1.229
   66    67   553.000  0.945
   62    63   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  110.18000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    90.00000  108.74100
   41    39    40    80.00000  120.40000
   41    44    45   100.00000  120.50000
   43    41    42    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    35.00000  109.50000
   44    45    46   100.00000  108.23000
   44    45    47   100.00000  108.23000
   44    45    48    45.00000  102.60000
   45    48    49    50.00000  132.62000
   47    45    46   140.00000  119.90000
   48    45    46   100.00000  108.23000
   48    45    47   100.00000  108.23000
   48    49    50   100.00000  108.23000
   48    49    51   100.00000  108.23000
   48    49    52    45.00000  102.60000
   49    52    53   100.00000  120.50000
   51    49    50   140.00000  119.90000
   52    49    50   100.00000  108.23000
   52    49    51   100.00000  108.23000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    56    50.00000  109.50000
   53    56    57    37.50000  110.70000
   53    56    58    58.35000  112.70000
   53    56    69    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    58.35000  112.70000
   56    58    62    50.00000  109.50000
   56    69    64    60.00000  109.50000
   58    56    57    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    64    75.00000  109.43000
   58    60    66    50.00000  109.50000
   58    62    63    55.00000  108.50000
   60    58    59    37.50000  110.70000
   60    64    65    45.00000  112.01100
   60    64    68    75.00000  107.44000
   60    64    69    90.00000  108.56700
   60    66    67    55.00000  108.50000
   64    60    61    45.00000  108.72000
   64    68    70    70.00000  121.20000
   64    68    78    70.00000  117.60000
   68    64    65    55.00000  103.44000
   68    70    71    35.00000  119.10000
   68    70    72    70.00000  121.20000
   68    78    76    70.00000  118.60000
   68    78    79    80.00000  120.60000
   70    72    73    35.00000  120.00000
   70    72    74    70.00000  118.70000
   72    70    71    35.00000  120.00000
   72    74    75    80.00000  125.30000
   72    74    76    70.00000  114.10000
   74    72    73    35.00000  119.70000
   74    76    77    35.00000  116.80000
   74    76    78    70.00000  126.40000
   76    74    75    80.00000  120.60000
   76    78    79    80.00000  120.60000
   78    68    70    70.00000  121.60000
   78    76    77    35.00000  116.80000
   69    56    57    35.00000  109.50000
   69    56    58    50.00000  109.50000
   69    64    65    35.00000  109.50000
   69    64    68   105.00000  106.22000
   66    60    61    35.00000  109.50000
   66    60    64    90.00000  111.58700
   62    58    59    35.00000  109.50000
   62    58    60    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.65300  1.0 1.0
   29    33    39    41  -0.03850 -1.0 2.0
   29    33    39    41   0.33900  1.0 3.0
   33    39    41    42   0.00000  1.0 1.0
   33    39    41    43   0.00000  1.0 1.0
   33    39    41    44   0.55300  1.0 1.0
   33    39    41    44   1.25850 -1.0 2.0
   33    39    41    44  -0.23600  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    44    45   0.37500  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    41    44   0.30150 -1.0 2.0
   41    44    45    46   0.00000  1.0 1.0
   41    44    45    47   0.00000  1.0 1.0
   41    44    45    48   0.05050  1.0 1.0
   41    44    45    48  -1.30700 -1.0 2.0
   41    44    45    48   0.91550  1.0 3.0
   42    41    44    45   0.03000  1.0 3.0
   43    41    44    45   0.03000  1.0 3.0
   44    45    48    49   0.15000  1.0 3.0
   45    48    49    50   0.50000  1.0 3.0
   45    48    49    51   0.50000  1.0 3.0
   45    48    49    52   0.15000  1.0 3.0
   46    45    48    49   0.50000  1.0 3.0
   47    45    48    49   0.50000  1.0 3.0
   48    49    52    53   0.05050  1.0 1.0
   48    49    52    53  -1.30700 -1.0 2.0
   48    49    52    53   0.91550  1.0 3.0
   49    52    53    54   0.03000  1.0 3.0
   49    52    53    55   0.03000  1.0 3.0
   49    52    53    56  -2.65550  1.0 1.0
   49    52    53    56  -0.22350 -1.0 2.0
   49    52    53    56   0.24150  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   51    49    52    53   0.00000  1.0 1.0
   52    53    56    57   0.23400  1.0 3.0
   52    53    56    58   0.62750  1.0 1.0
   52    53    56    58  -0.30950 -1.0 2.0
   52    53    56    58   0.27300  1.0 3.0
   52    53    56    69   1.11900  1.0 1.0
   52    53    56    69  -1.16350 -1.0 2.0
   52    53    56    69  -0.34150  1.0 3.0
   53    56    58    59   0.15000  1.0 3.0
   53    56    58    60   0.56750  1.0 1.0
   53    56    58    60  -0.07550 -1.0 2.0
   53    56    58    60   0.20000  1.0 3.0
   53    56    58    62   0.86500  1.0 1.0
   53    56    58    62  -0.17500 -1.0 2.0
   53    56    58    62   0.20800  1.0 3.0
   53    56    69    64   0.06250  1.0 1.0
   53    56    69    64  -0.01100 -1.0 2.0
   53    56    69    64   0.28050  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    69   0.23400  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    69   0.23400  1.0 3.0
   56    58    60    61   0.15000  1.0 3.0
   56    58   -60    64   3.97050  1.0 1.0
   56    58    60    66   0.86500  1.0 1.0
   56    58    60    66  -0.17500 -1.0 2.0
   56    58    60    66   0.20800  1.0 3.0
   56    58    62    63  -0.11600  1.0 1.0
   56    58    62    63  -0.09450 -1.0 2.0
   56    58    62    63   0.21250  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    62   0.23400  1.0 3.0
   57    56    69    64   0.37050  1.0 3.0
   58    56   -69    64   0.06250  1.0 1.0
   58    56   -69    64  -0.01100 -1.0 2.0
   58    56   -69    64   0.28050  1.0 3.0
   58    60    64    65   0.15000  1.0 3.0
   58    60    64    68  -0.27100  1.0 1.0
   58    60    64    68  -0.01700 -1.0 2.0
   58    60    64    68  -0.48600  1.0 3.0
   58    60   -64    69   0.62750  1.0 1.0
   58    60   -64    69  -0.30950 -1.0 2.0
   58    60   -64    69   0.27300  1.0 3.0
   58    60    66    67  -0.11600  1.0 1.0
   58    60    66    67  -0.09450 -1.0 2.0
   58    60    66    67   0.21250  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    64   0.15000  1.0 3.0
   59    58    60    66   0.23400  1.0 3.0
   59    58    62    63   0.19450  1.0 3.0
   60    58    62    63  -0.11600  1.0 1.0
   60    58    62    63  -0.09450 -1.0 2.0
   60    58    62    63   0.21250  1.0 3.0
   60    64    68    70   2.08450  1.0 1.0
   60    64    68    70  -0.39300 -1.0 2.0
   60    64    68    70   0.23400  1.0 3.0
   60    64    68    78  -0.43950  1.0 1.0
   60    64    68    78  -0.08100 -1.0 2.0
   60    64    68    78   0.03350  1.0 3.0
   60    64   -69    56   0.06250  1.0 1.0
   60    64   -69    56  -0.01100 -1.0 2.0
   60    64   -69    56   0.28050  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    68   0.15000  1.0 3.0
   61    60    64    69   0.23400  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   64    60    66    67  -0.11600  1.0 1.0
   64    60    66    67  -0.09450 -1.0 2.0
   64    60    66    67   0.21250  1.0 3.0
   64    68    70    71   1.88100 -1.0 2.0
   64    68    70    72  -0.88150  1.0 1.0
   64    68    70    72   2.95600 -1.0 2.0
   64    68    78    76   3.62500 -1.0 2.0
   64    68    78    79   3.04450 -1.0 2.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    78   0.00000  1.0 1.0
   65    64    69    56   0.37050  1.0 3.0
   68    64    69    56  -2.37750  1.0 1.0
   68    64    69    56  -0.08150 -1.0 2.0
   68    64    69    56   0.59000  1.0 3.0
   68    70    72    73   7.00000 -1.0 2.0
   68    70    72    74   7.00000 -1.0 2.0
   70    68    78    76   3.62500 -1.0 2.0
   70    68    78    79   2.67200 -1.0 2.0
   70    72    74    75   1.00000 -1.0 2.0
   70    72   -74    76   1.50000 -1.0 2.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    74   7.00000 -1.0 2.0
   72    74    76    77   1.52500 -1.0 2.0
   72    74    76    78   7.00000 -1.0 2.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   7.00000 -1.0 2.0
   74    76   -78    68   3.00000 -1.0 2.0
   74    76    78    79   3.04450 -1.0 2.0
   75    74    76    77   2.45000 -1.0 2.0
   75    74    76    78   3.04450 -1.0 2.0
   77    76    78    68   2.56700 -1.0 2.0
   77    76    78    79   2.45000 -1.0 2.0
   78    68    70    71   1.44600  1.0 1.0
   78    68   -70    72  -0.18900  1.0 1.0
   78    68   -70    72   1.70900 -1.0 2.0
   69    56    58    59   0.23400  1.0 3.0
   69    56   -58    60   0.62750  1.0 1.0
   69    56   -58    60  -0.30950 -1.0 2.0
   69    56   -58    60   0.27300  1.0 3.0
   69    56    58    62   3.69350  1.0 1.0
   69    56    58    62  -1.82950 -1.0 2.0
   69    64    68    70  -0.28000  1.0 1.0
   69    64    68    70  -1.16550 -1.0 2.0
   69    64    68    78  -2.75650  1.0 1.0
   69    64    68    78  -1.18150 -1.0 2.0
   69    64    68    78   0.81900  1.0 3.0
   66    60    64    65   0.23400  1.0 3.0
   66    60    64    68   2.76900  1.0 1.0
   66    60    64    68  -0.24350 -1.0 2.0
   66    60    64    68  -0.78250  1.0 3.0
   66    60    64    69   3.69350  1.0 1.0
   66    60    64    69  -1.82950 -1.0 2.0
   62    58    60    61   0.23400  1.0 3.0
   62    58    60    64   0.86500  1.0 1.0
   62    58    60    64  -0.17500 -1.0 2.0
   62    58    60    64   0.20800  1.0 3.0
   62    58    60    66   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
   37    30    36    38  10.50000 -1.0 2.0
   33    41    39    40  10.50000 -1.0 2.0
   70    78    68    64   1.00000 -1.0 2.0
   68    71    70    72   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
   77    74    76    78   1.00000 -1.0 2.0
   68    76    78    79  10.50000 -1.0 2.0
END
