* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    157    252     475
    1     0 S   NP   _N1_     1    28.66257    96.19737   -22.13372
    2     1 S   H    _HN1     2     1.02778    95.32638   -86.85194
    3     1 S   H    _H1_     3     1.02960    76.87991    20.76333
    4     1 S   H    _H2_     4     1.02836    38.84014   161.03537
    5     1 S   CT   _CA1     5     1.50122   146.13834   127.88568
    6     5 S   HC   _HA1     6     1.09576   105.22212    80.66306
    7     5 S   CO3  _C1_     7     1.53776   112.41419   -39.51637
    8     7 S   O2Z  _O11     8     1.26356   115.00064   -43.22607
    9     7 S   O2Z  _O12     9     1.26239   114.92251   135.95164
   10     5 S   CT   _CB1    10     1.53097   107.42223  -161.44552
   11    10 S   HC   HB11    11     1.09825   109.28337   -50.97956
   12    10 S   HC   HB12    12     1.09818   110.42708    65.55352
   13    10 S   CT   _CG1    13     1.53013   112.70318  -172.09863
   14    13 S   HC   HG11    14     1.09595   110.44347   -64.59098
   15    13 S   HC   HG12    15     1.09656   109.96566    54.62529
   16    13 S   C    _CD1    16     1.51828   112.34351   174.94046
   17    16 S   O    _OE1    17     1.22715   123.26048    -1.60718
   18    16 S   N    _N2_    18     1.38624   111.63172   178.76014
   19    18 S   H    _HN2    19     1.01576   119.02262     1.46260
   20    18 S   CT1  _CA2    20     1.46159   123.44881   179.46734
   21    20 S   HC   _HA2    21     1.09721   109.46557    -2.02661
   22    20 S   C    _C2_    22     1.53564   108.58891  -117.78203
   23    22 S   O    _O2_    23     1.23064   122.27351  -145.64069
   24    20 S   CT   _CB2    32     1.53187   111.46715   120.05312
   25    24 S   HC   HB21    33     1.09610   110.05346    55.74314
   26    24 S   HC   HB22    34     1.09503   109.91094   174.54900
   27    22 S   N    _N3_    24     1.38501   113.59126    41.78917
   28    27 S   H    _HN3    25     1.01488   119.05122    -0.20748
   29    24 S   S    _SG2    35     1.82878   112.30827   -65.52251
   30    27 S   CT   _CA3    26     1.45421   123.18225   175.41273
   31    30 S   HC   HA31    27     1.09541   109.03143    29.44982
   32    30 S   HC   HA32    28     1.09493   107.21367   146.37666
   33    29 S   CT   _C10    36     1.83057    98.47285   172.24225
   34    33 S   HC   _H6_    37     1.09748   104.86839   -66.25415
   35    30 S   CO3  _C3_    29     1.52902   113.06984   -93.88303
   36    35 S   O2Z  _O31    30     1.26401   115.33324   -48.08326
   37    35 S   O2Z  _O32    31     1.26350   115.02720   132.79706
   38    33 S   CT   _C9_    38     1.52663   112.91643   175.28478
   39    38 S   HC   _H5_    39     1.09980   108.53708    63.24457
   40    33 S   OS   _O33    51     1.42231   111.13421    51.29335
   41    38 S   CT   _C8_    40     1.53976   112.12210  -175.97946
   42    41 S   HC   _H4_    41     1.09984   109.74488   158.80978
   43    38 S   CO3  _C18    82     1.54630   114.87081   -56.45025
   44    43 S   O2Z  _O41    83     1.26195   116.60411   -48.05934
   45    43 S   O2Z  _O40    84     1.26567   114.25835   132.92751
   46    41 S   CM   _C4_    42     1.50559   113.94015   -81.99628
   47    46 S   HC   _H13    43     1.08092   124.17685   -38.88188
   48    46 S   CM   _C5_    44     1.33801   111.50543   145.65918
   49    48 S   HC   _H14    45     1.08088   124.20264   176.35610
   50    48 S   CT   _C6_    46     1.50416   111.80431    -1.39746
   51    41 S   CT   _C7_    47     1.55490   115.61852    34.43791
   52    51 S   HC   _H3_    48     1.09854   109.09631    87.75794
   53    50 S   CT   _C19    75     1.53501   112.40786   100.92304
   54    53 S   HC   _H21    76     1.09506   112.25796   -55.33027
   55    53 S   HC   _H22    77     1.09543   110.12940  -176.84272
   56    50 S   OH   _O43    80     1.42076   109.55492  -137.56964
   57    56 S   HO   _H24    81     0.97343   107.23694   -75.52664
   58    51 S   CO   _C11    49     1.54612   113.06554   -32.01198
   59    58 S   HC   _H7_    50     1.09777   110.64520   -74.73194
   60    53 S   OH   _O42    78     1.42648   109.78344    65.41310
   61    60 S   HO   _H23    79     0.97260   106.89631   179.87333
   62    58 S   OS1  _O34    52     1.43594   108.28880   166.90707
   63    62 S   CO1  _C12    53     1.43440   112.76579  -177.46773
   64    63 S   HC   _H8_    54     1.09774   108.13902    61.87278
   65    63 S   CT   _C13    55     1.53334   107.89538  -179.69290
   66    65 S   HC   _H9_    56     1.09670   110.00268    54.69449
   67    65 S   CT   _C14    57     1.53237   110.94146   176.58350
   68    67 S   HC   _H10    58     1.09675   110.15159    74.15207
   69    65 S   OH5  _O39    73     1.42926   110.22733   -62.27160
   70    69 S   HO   _H20    74     0.97245   108.14250   -56.23266
   71    67 S   CT   _C15    59     1.53298   111.60942   -48.54277
   72    71 S   HC   _H11    60     1.09703   109.01284   -72.21816
   73    67 S   OH5  _O38    71     1.42985   109.60471  -170.07029
   74    73 S   HO   _H19    72     0.97236   108.09222    60.42478
   75    71 S   CT   _C16    61     1.53213   110.76370    49.02296
   76    75 S   HC   _H12    62     1.09786   110.94623    64.21507
   77    71 S   OH5  _O37    69     1.42598   109.65026   170.98104
   78    77 S   HO   _H18    70     0.97301   108.13789   -60.33380
   79    63 S   OS1  _O35    63     1.42900   111.66630   -59.33295
   80    75 S   CT   _C17    64     1.52907   111.76956  -174.96223
   81    80 S   HC   _H15    65     1.09496   111.02679    69.04019
   82    80 S   HC   _H16    66     1.09398   111.51034   -53.37245
   83    80 S   OH5  _O36    67     1.42552   109.06061  -172.31883
   84    83 S   HO   _H17    68     0.97233   106.96827  -179.24671
  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   8   5   4   3
  14   6   2   1   1  14   8   9  16   8   4   1   1   9   4  11
   4  12  11   5   7   4   3   3   1   6   2   1   1   8  13   6
  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    58    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    46    51    58    59    40    62    43    44    45  
   38    39    41    58    40    43  
   36    37  
   37  
    0  
   39    41    42    46    47    48    50    51    52    58    40    43    44    45  
   41    42    46    51    40    43    44    45  
   62    63    43    41    50    51    52    58    59  
   42    46    47    48    49    50    51    52    58    59    62    53    56    43    44    45  
   46    47    48    50    51    52    58    43  
   44    45    46    51  
   45  
    0  
   47    48    49    50    51    52    58    53    56  
   48    49    50    51  
   49    50    51    52    58    53    54    55    60    56    57  
   50    51    53    56  
   51    52    58    59    62    53    54    55    60    61    56    57  
   52    58    59    62    63    53    54    55    60    56    57  
   58    59    62    53    56  
   54    55    60    61    56    57    58  
   55    60    61    56  
   60    61    56  
   57    58    60  
    0  
   59    62    63    64    65    79  
   62    63  
   61  
    0  
   63    64    65    66    67    75    79    69  
   64    65    66    67    68    71    75    76    79    80    73    69    70  
   65    66    67    75    79    69  
   66    67    68    71    72    75    79    77    73    74    69    70  
   67    68    71    79    73    69    70  
   68    71    72    75    76    79    80    77    78    73    74    69    70  
   71    72    75    77    73    74    69  
   70    71    73    79  
    0  
   72    75    76    79    80    81    82    83    77    78    73    74  
   75    76    79    80    77    78    73  
   74    75    77  
    0  
   76    79    80    81    82    83    84    77    78  
   79    80    81    82    83    77  
   78    79    80  
    0  
   80    81    82    83  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   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    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    43   317.000  1.522
   41    42   340.000  1.090
   41    46   317.000  1.510
   41    51   268.000  1.529
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   340.000  1.080
   48    50   317.000  1.510
   50    51   268.000  1.529
   50    53   268.000  1.529
   50    56   320.000  1.410
   51    52   340.000  1.090
   51    58   250.000  1.527
   58    59   340.000  1.090
   58    40   320.000  1.380
   58    62   320.000  1.380
   62    63   370.000  1.399
   63    64   360.000  1.097
   63    65   255.000  1.525
   63    79   370.000  1.399
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    69   355.000  1.421
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   355.000  1.421
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   355.000  1.421
   75    76   340.000  1.090
   75    79   335.000  1.422
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   355.000  1.421
   83    84   580.000  0.967
   77    78   580.000  0.967
   73    74   580.000  0.967
   69    70   580.000  0.967
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   320.000  1.410
   60    61   553.000  0.945
   56    57   553.000  0.945
   43    44   656.000  1.250
   43    45   656.000  1.250
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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    43    70.00000  109.69300
   33    40    58    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    46    70.00000  112.02700
   38    41    51    58.35000  112.70000
   38    43    44    70.00000  117.00000
   38    43    45    70.00000  117.00000
   41    38    39    37.50000  110.70000
   41    46    47    35.00000  117.00000
   41    46    48    70.00000  124.00000
   41    51    50    58.35000  112.70000
   41    51    52    37.50000  110.70000
   41    51    58    75.00000  109.43000
   46    41    42    35.00000  109.50000
   46    48    49    35.00000  120.00000
   46    48    50    70.00000  124.00000
   48    46    47    35.00000  120.00000
   48    50    51    70.00000  112.02700
   48    50    53    70.00000  112.02700
   48    50    56    90.00000  110.39200
   50    48    49    35.00000  117.00000
   50    51    52    37.50000  110.70000
   50    51    58    75.00000  109.43000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    60    50.00000  109.50000
   50    56    57    55.00000  108.50000
   51    41    42    37.50000  110.70000
   51    41    46    70.00000  112.02700
   51    58    59    45.00000  112.01100
   51    58    40    90.00000  108.56700
   51    58    62    90.00000  108.56700
   58    51    52    45.00000  108.72000
   58    62    63    90.00000  112.10700
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    58    59    35.00000  109.50000
   62    58    59    35.00000  109.50000
   62    58    40    92.60000  111.55000
   62    63    64    60.00000  105.75400
   62    63    65    90.00000  109.70700
   62    63    79   110.00000  113.16000
   63    65    66    45.00000  109.54000
   63    65    67    70.00000  111.10000
   63    65    69    90.00000  109.42000
   63    79    75    90.00000  112.10700
   65    63    64    45.00000  111.65000
   65    67    68    37.50000  110.70000
   65    67    71    58.35000  112.70000
   65    67    73    90.00000  111.45300
   65    69    70    65.00000  108.53500
   67    65    66    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    58.35000  112.70000
   67    71    77    90.00000  111.45300
   67    73    74    65.00000  108.53500
   71    67    68    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    95.00000  107.88500
   71    75    80    58.35000  112.70000
   71    77    78    65.00000  108.53500
   75    71    72    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    90.00000  111.45300
   79    63    64    60.00000  105.75400
   79    63    65    90.00000  109.70700
   79    75    76    55.00000  108.98800
   80    75    76    37.50000  110.70000
   80    75    79    95.00000  107.88500
   80    83    84    65.00000  108.53500
   82    80    81    33.00000  107.80000
   83    80    81    60.00000  109.39000
   83    80    82    60.00000  109.39000
   77    71    72    60.00000  109.39000
   77    71    75    90.00000  111.45300
   73    67    68    60.00000  109.39000
   73    67    71    90.00000  111.45300
   69    65    66    60.00000  109.39000
   69    65    67    90.00000  111.45300
   53    50    51    58.35000  112.70000
   53    60    61    55.00000  108.50000
   55    53    54    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    55    35.00000  109.50000
   56    50    51    50.00000  109.50000
   56    50    53    50.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    41    70.00000  109.69300
   45    43    44    80.00000  126.00000
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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    40    58   0.14700  1.0 1.0
   29    33    40    58  -1.16150 -1.0 2.0
   29    33    40    58   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    46   0.34400  1.0 1.0
   33    38    41    46   0.09450 -1.0 2.0
   33    38    41    46   0.11100  1.0 3.0
   33    38    41    51   0.56750  1.0 1.0
   33    38    41    51  -0.07550 -1.0 2.0
   33    38    41    51   0.20000  1.0 3.0
   33    38    43    44   0.41150 -1.0 2.0
   33    38    43    45   0.41150 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    40    58   0.37050  1.0 3.0
   38    33    40    58   0.06250  1.0 1.0
   38    33    40    58  -0.01100 -1.0 2.0
   38    33    40    58   0.28050  1.0 3.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    48   0.09850  1.0 1.0
   38    41    46    48   0.15250 -1.0 2.0
   38    41    46    48  -0.50650  1.0 3.0
   38    41    51    50   0.56750  1.0 1.0
   38    41    51    50  -0.07550 -1.0 2.0
   38    41    51    50   0.20000  1.0 3.0
   38    41    51    52   0.15000  1.0 3.0
   38    41   -51    58   3.97050  1.0 1.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   39    38    41    51   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   41    38    43    44   0.41150 -1.0 2.0
   41    38    43    45   0.41150 -1.0 2.0
   41    46    48    49   7.00000 -1.0 2.0
   41    46   -48    50   7.00000 -1.0 2.0
   41    51    58    59   0.15000  1.0 3.0
   41    51    58    40   0.62750  1.0 1.0
   41    51    58    40  -0.30950 -1.0 2.0
   41    51    58    40   0.27300  1.0 3.0
   41    51    58    62   0.62750  1.0 1.0
   41    51    58    62  -0.30950 -1.0 2.0
   41    51    58    62   0.27300  1.0 3.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    48   0.00000  1.0 1.0
   42    41    51    50   0.15000  1.0 3.0
   42    41    51    52   0.15000  1.0 3.0
   42    41    51    58   0.15000  1.0 3.0
   46    41   -51    50   0.34400  1.0 1.0
   46    41   -51    50   0.09450 -1.0 2.0
   46    41   -51    50   0.11100  1.0 3.0
   46    41    51    52   0.15000  1.0 3.0
   46    41    51    58   0.34400  1.0 1.0
   46    41    51    58   0.09450 -1.0 2.0
   46    41    51    58   0.11100  1.0 3.0
   46    48   -50    51   0.09850  1.0 1.0
   46    48   -50    51   0.15250 -1.0 2.0
   46    48   -50    51  -0.50650  1.0 3.0
   46    48    50    53   0.09850  1.0 1.0
   46    48    50    53   0.15250 -1.0 2.0
   46    48    50    53  -0.50650  1.0 3.0
   46    48    50    56   0.67800  1.0 1.0
   46    48    50    56   0.47050 -1.0 2.0
   46    48    50    56  -0.62500  1.0 3.0
   47    46    48    49   7.00000 -1.0 2.0
   47    46    48    50   7.00000 -1.0 2.0
   48    50   -51    41   0.34400  1.0 1.0
   48    50   -51    41   0.09450 -1.0 2.0
   48    50   -51    41   0.11100  1.0 3.0
   48    50    51    52   0.15000  1.0 3.0
   48    50    51    58   0.34400  1.0 1.0
   48    50    51    58   0.09450 -1.0 2.0
   48    50    51    58   0.11100  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    55   0.15000  1.0 3.0
   48    50    53    60   1.05650  1.0 1.0
   48    50    53    60   0.15600 -1.0 2.0
   48    50    53    60   0.53150  1.0 3.0
   48    50    56    57  -0.07800  1.0 1.0
   48    50    56    57  -0.21500 -1.0 2.0
   48    50    56    57  -0.03150  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    53   0.00000  1.0 1.0
   49    48    50    56   0.00000  1.0 1.0
   50    51    58    59   0.15000  1.0 3.0
   50    51    58    40   0.62750  1.0 1.0
   50    51    58    40  -0.30950 -1.0 2.0
   50    51    58    40   0.27300  1.0 3.0
   50    51    58    62   0.62750  1.0 1.0
   50    51    58    62  -0.30950 -1.0 2.0
   50    51    58    62   0.27300  1.0 3.0
   50    53    60    61  -0.11600  1.0 1.0
   50    53    60    61  -0.09450 -1.0 2.0
   50    53    60    61   0.21250  1.0 3.0
   51    41    46    47   0.00000  1.0 1.0
   51    41   -46    48   0.09850  1.0 1.0
   51    41   -46    48   0.15250 -1.0 2.0
   51    41   -46    48  -0.50650  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    60   0.86500  1.0 1.0
   51    50    53    60  -0.17500 -1.0 2.0
   51    50    53    60   0.20800  1.0 3.0
   51    50    56    57  -0.11600  1.0 1.0
   51    50    56    57  -0.09450 -1.0 2.0
   51    50    56    57   0.21250  1.0 3.0
   51    58   -40    33   0.06250  1.0 1.0
   51    58   -40    33  -0.01100 -1.0 2.0
   51    58   -40    33   0.28050  1.0 3.0
   51    58    62    63   0.06250  1.0 1.0
   51    58    62    63  -0.01100 -1.0 2.0
   51    58    62    63   0.28050  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    40   0.23400  1.0 3.0
   52    51    58    62   0.23400  1.0 3.0
   58    62    63    64   0.37050  1.0 3.0
   58    62    63    65   0.06250  1.0 1.0
   58    62    63    65  -0.01100 -1.0 2.0
   58    62    63    65   0.28050  1.0 3.0
   58    62    63    79  -0.12700  1.0 1.0
   58    62    63    79  -1.16200 -1.0 2.0
   58    62    63    79   0.58800  1.0 3.0
   59    58    40    33   0.37050  1.0 3.0
   59    58    62    63   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33   -38    41   0.62750  1.0 1.0
   40    33   -38    41  -0.30950 -1.0 2.0
   40    33   -38    41   0.27300  1.0 3.0
   40    33    38    43  -3.35100  1.0 1.0
   40    33    38    43  -0.37050 -1.0 2.0
   40    33    38    43   0.22400  1.0 3.0
   40    58    62    63  -0.53350  1.0 1.0
   40    58    62    63  -0.78350 -1.0 2.0
   40    58    62    63   0.33750  1.0 3.0
   62    58    40    33  -0.81800  1.0 1.0
   62    63    65    66   0.23400  1.0 3.0
   62    63    65    67   0.62750  1.0 1.0
   62    63    65    67  -0.30950 -1.0 2.0
   62    63    65    67   0.27300  1.0 3.0
   62    63    65    69   1.51850  1.0 1.0
   62    63    79    75  -0.70400  1.0 1.0
   62    63    79    75  -0.90350 -1.0 2.0
   63    65    67    68   0.15000  1.0 3.0
   63    65    67    71   0.56750  1.0 1.0
   63    65    67    71  -0.07550 -1.0 2.0
   63    65    67    71   0.20000  1.0 3.0
   63    65    67    73  -0.47750  1.0 1.0
   63    65    69    70   0.29150  1.0 1.0
   63    65    69    70  -0.28350 -1.0 2.0
   63    65    69    70   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    65    69   0.23400  1.0 3.0
   64    63    79    75   0.37050  1.0 3.0
   65    63    79    75   0.06250  1.0 1.0
   65    63    79    75  -0.01100 -1.0 2.0
   65    63    79    75   0.28050  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67   -71    75   0.56750  1.0 1.0
   65    67   -71    75  -0.07550 -1.0 2.0
   65    67   -71    75   0.20000  1.0 3.0
   65    67    71    77  -0.47750  1.0 1.0
   65    67    73    74   0.29150  1.0 1.0
   65    67    73    74  -0.28350 -1.0 2.0
   65    67    73    74   0.43600  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    67    73   0.23400  1.0 3.0
   66    65    69    70   0.19450  1.0 3.0
   67    65    69    70   0.29150  1.0 1.0
   67    65    69    70  -0.28350 -1.0 2.0
   67    65    69    70   0.43600  1.0 3.0
   67    71    75    76   0.15000  1.0 3.0
   67    71    75    79   0.62750  1.0 1.0
   67    71    75    79  -0.30950 -1.0 2.0
   67    71    75    79   0.27300  1.0 3.0
   67    71    75    80   0.56750  1.0 1.0
   67    71    75    80  -0.07550 -1.0 2.0
   67    71    75    80   0.20000  1.0 3.0
   67    71    77    78   0.29150  1.0 1.0
   67    71    77    78  -0.28350 -1.0 2.0
   67    71    77    78   0.43600  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.15000  1.0 3.0
   68    67    71    77   0.23400  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74   0.29150  1.0 1.0
   71    67    73    74  -0.28350 -1.0 2.0
   71    67    73    74   0.43600  1.0 3.0
   71    75   -79    63   0.06250  1.0 1.0
   71    75   -79    63  -0.01100 -1.0 2.0
   71    75   -79    63   0.28050  1.0 3.0
   71    75    80    81   0.15000  1.0 3.0
   71    75    80    82   0.15000  1.0 3.0
   71    75    80    83  -0.47750  1.0 1.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.23400  1.0 3.0
   72    71    75    80   0.15000  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78   0.29150  1.0 1.0
   75    71    77    78  -0.28350 -1.0 2.0
   75    71    77    78   0.43600  1.0 3.0
   75    80    83    84   0.29150  1.0 1.0
   75    80    83    84  -0.28350 -1.0 2.0
   75    80    83    84   0.43600  1.0 3.0
   76    75    79    63   0.37050  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.23400  1.0 3.0
   79    63    65    66   0.23400  1.0 3.0
   79    63   -65    67   0.62750  1.0 1.0
   79    63   -65    67  -0.30950 -1.0 2.0
   79    63   -65    67   0.27300  1.0 3.0
   79    63    65    69   1.51850  1.0 1.0
   79    75    80    81   0.23400  1.0 3.0
   79    75    80    82   0.23400  1.0 3.0
   79    75    80    83   1.51850  1.0 1.0
   80    75    79    63   0.06250  1.0 1.0
   80    75    79    63  -0.01100 -1.0 2.0
   80    75    79    63   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   1.51850  1.0 1.0
   77    71    75    80  -0.47750  1.0 1.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75  -0.47750  1.0 1.0
   73    67    71    77   3.77950  1.0 1.0
   69    65    67    68   0.23400  1.0 3.0
   69    65    67    71  -0.47750  1.0 1.0
   69    65    67    73   3.77950  1.0 1.0
   53    50    51    41   0.56750  1.0 1.0
   53    50    51    41  -0.07550 -1.0 2.0
   53    50    51    41   0.20000  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    58   3.97050  1.0 1.0
   53    50    56    57  -0.11600  1.0 1.0
   53    50    56    57  -0.09450 -1.0 2.0
   53    50    56    57   0.21250  1.0 3.0
   54    53    60    61   0.19450  1.0 3.0
   55    53    60    61   0.19450  1.0 3.0
   56    50    51    41   0.86500  1.0 1.0
   56    50    51    41  -0.17500 -1.0 2.0
   56    50    51    41   0.20800  1.0 3.0
   56    50    51    52   0.23400  1.0 3.0
   56    50    51    58   0.86500  1.0 1.0
   56    50    51    58  -0.17500 -1.0 2.0
   56    50    51    58   0.20800  1.0 3.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    60   3.75450  1.0 1.0
   43    38    41    42  -0.11250  1.0 3.0
   43    38    41    46  -0.98800  1.0 1.0
   43    38    41    46   0.48800 -1.0 2.0
   43    38    41    46   0.76800  1.0 3.0
   43    38    41    51  -1.63150  1.0 1.0
   43    38    41    51  -0.43550 -1.0 2.0
   43    38    41    51   0.24500  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    47    46    48   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   44    38    43    45  10.50000 -1.0 2.0
END
