* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    160    248     466
    1     0 S   NP   _N1_     1    30.42729    89.08340   -22.27137
    2     1 S   H    _HN1     2     1.02904   127.28436   -56.05795
    3     1 S   H    _H1_     3     1.03158   114.53040    82.35850
    4     1 S   H    _H2_     4     1.02731    29.52087     1.00775
    5     1 S   CT   _CA1     5     1.50296    82.55837  -168.26226
    6     5 S   HC   _HA1     6     1.09563   105.21968    65.27856
    7     5 S   CO3  _C1_     7     1.53723   113.14200   -55.15866
    8     7 S   O2Z  _O11     8     1.26400   115.34924   -39.77661
    9     7 S   O2Z  _O12     9     1.26290   114.85905   139.47141
   10     5 S   CT   _CB1    10     1.52656   106.67521  -177.13058
   11    10 S   HC   HB11    11     1.09777   108.76404   -51.88050
   12    10 S   HC   HB12    12     1.09803   109.90954    64.10721
   13    10 S   CT   _CG1    13     1.52956   114.42797  -172.60808
   14    13 S   HC   HG11    14     1.09523   111.39711   -70.53827
   15    13 S   HC   HG12    15     1.09552   111.01588    49.71520
   16    13 S   C    _CD1    16     1.51527   108.53712   168.72169
   17    16 S   O    _OE1    17     1.22836   121.95167  -101.43640
   18    16 S   N    _N2_    18     1.38333   112.69871    75.47820
   19    18 S   H    _HN2    19     1.01558   119.25575     7.48849
   20    18 S   CT1  _CA2    20     1.45610   122.70012  -167.67459
   21    20 S   HC   _HA2    21     1.09668   107.96580    34.30076
   22    20 S   C    _C2_    22     1.52931   108.31766   -83.07805
   23    22 S   O    _O2_    23     1.22949   123.16253   -25.79657
   24    20 S   CT   _CB2    32     1.53405   112.24721   156.51783
   25    24 S   HC   HB21    33     1.09675   109.56101    70.03107
   26    24 S   HC   HB22    34     1.09568   110.90913  -172.93020
   27    22 S   N    _N3_    24     1.38532   112.42019   157.04218
   28    27 S   H    _HN3    25     1.01643   120.34586    -2.63203
   29    24 S   S    _SG2    35     1.82709   114.60637   -49.05305
   30    27 S   CT   _CA3    26     1.45343   122.51599   178.52993
   31    30 S   HC   HA31    27     1.09566   107.85889   -54.81492
   32    30 S   HC   HA32    28     1.09560   107.58017    61.53807
   33    29 S   CT   _C22    36     1.82570   100.41054   -69.12109
   34    33 S   HC   _H23    37     1.09536   109.41013   -57.01404
   35    33 S   HC   _H24    38     1.09392   109.06045    59.48187
   36    30 S   CO3  _C3_    29     1.52895   114.28315  -176.75804
   37    36 S   O2Z  _O31    30     1.26342   116.06102    -0.28186
   38    36 S   O2Z  _O32    31     1.26431   114.41665   179.67979
   39    33 S   CM   _C20    39     1.52513   109.91345  -178.01574
   40    39 S   CMA  _C19    40     1.36724   122.61166   -95.64941
   41    40 S   OM   _O40    41     1.26867   125.54219    -3.12719
   42    39 S   CT   _C21    80     1.51887   114.23596    87.65287
   43    42 S   HC   _H20    81     1.09581   109.61036    50.45596
   44    42 S   HC   _H21    82     1.09350   113.38575   169.65280
   45    40 S   OS   _O38    42     1.42042   112.16243   178.37755
   46    42 S   OH   _O39    83     1.42049   110.58411   -69.10445
   47    46 S   HO   _H22    84     0.97180   107.04498  -179.98022
   48    45 S   CT   _C7_    43     1.45244   114.70843  -127.76295
   49    48 S   HC   _H4_    44     1.09320   110.47427   -26.22802
   50    48 S   CT   _C8_    45     1.55400   104.06963    93.06128
   51    50 S   HC   _H10    46     1.09776   108.62991   -39.43992
   52    50 S   HC   _H11    47     1.09840   108.28746    72.85133
   53    48 S   CT   _C6_    62     1.56373   108.00291  -144.42400
   54    53 S   HC   _H3_    63     1.09963   108.63686   -77.96106
   55    50 S   C3T  _C9_    48     1.51416   119.06583  -160.28061
   56    53 S   CM   _C5_    64     1.50906   119.87497    43.57546
   57    55 S   C3T  _C10    49     1.53818   117.34171  -120.95828
   58    57 S   HC   _H5_    50     1.08291   119.06015     7.02040
   59    56 S   CO4  _C16    65     1.48208   108.70840   149.50611
   60    59 S   O    _O35    66     1.21768   127.38024   167.23599
   61    56 S   CM   _C4_    68     1.33697   133.14570   -30.84424
   62    61 S   HC   _H8_    69     1.08150   122.84719    -0.96347
   63    61 S   HC   _H9_    70     1.08611   121.54103   179.90721
   64    55 S   CO   _C18    75     1.51913   119.00166    45.91362
   65    64 S   HC   _H7_    76     1.09577   111.76506   162.50337
   66    57 S   CT   _C11    51     1.49926   121.36128   155.60081
   67    66 S   HC   _H12    52     1.09633   109.24029   159.88811
   68    66 S   HC   _H13    53     1.09540   111.48169    43.18720
   69    82 S   OS   _O34    67     1.43830   106.83934   129.05372
   70    64 S   OH   _O37    77     1.42716   108.51006    45.62965
   71    70 S   HO   _H19    78     0.97558   107.04654   153.53587
   72    55 S   O3T  _O33    79     1.45442   112.25474   176.40414
   73    66 S   CT   _C12    54     1.53851   110.98780   -79.75869
   74    73 S   HC   _H14    55     1.09785   108.65486   -78.31681
   75    73 S   HC   _H15    56     1.09598   110.48013   165.70795
   76    73 S   CM   _C13    57     1.51376   110.67778    42.87517
   77    76 S   CM   _C14    58     1.34839   119.16224  -100.26513
   78    77 S   HC   _H16    59     1.08933   118.54904    -7.01353
   79    76 S   CT   _C17    71     1.50859   115.90671    69.46341
   80    79 S   HC   _H17    72     1.09608   112.27579     7.91502
   81    79 S   HC   _H18    73     1.09589   108.99655   125.36193
   82    77 S   CT   _C15    60     1.49617   126.21486   167.55650
   83    82 S   HC   _H6_    61     1.09620   111.81217    13.57733
   84    79 S   OS   _O36    74     1.42823   111.83421  -115.80929
  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
  10   4   3   2   1   1   9  10   3   5   3   2  10   1   1  17
   8  15   6   5  14   7  13   9  13   6   8   3   4   1   1  10
   5   9   6   5   5   4   1   2  10   4   3   8   7   3   4   2
   1   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    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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    45    42    43    44    46  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    45    48    42    43    44    46    47  
   41    45    48    49    50    53    42    43    44    46  
   45    48    42  
   43    44    46    47    45  
   44    46    47  
   46    47  
   48    49    50    51    52    55    82    53    54    56  
   47  
    0  
   49    50    51    52    55    57    77    82    83    53    54    56    59    69    61    64    72  
   50    51    52    55    82    53    54    56  
   51    52    55    57    58    66    82    53    54    56    84    64    65    70    72  
   52    55    57    53    64    72  
   55    57    53    64    72  
   54    56    59    60    69    61    62    63    55    76    77    78    82    83  
   56    59    69    61    77    82    83  
   57    58    66    67    68    73    79    84    64    65    70    71    72  
   59    60    69    61    62    63    77    82    83  
   58    66    67    68    73    74    75    76    84    64    65    70    72  
   66    67    68    73    64    72  
   60    69    61    62    63    77    82    83  
   69    61    82  
   62    63    69    82  
   63  
    0  
   65    70    71    72    66    76    79    80    81    84  
   70    71    72    79    84  
   67    68    73    74    75    76    77    79    72  
   68    73    74    75    76    72  
   73    74    75    76    72  
   76    77    78    82    83  
   71    72    79    84  
   84  
   73    84  
   74    75    76    77    78    82    79    80    81    84  
   75    76    77    79  
   76    77    79  
   77    78    82    83    79    80    81    84  
   78    82    83    79    80    81    84  
   82    83    79  
   80    81    84    82  
   81    84  
   84  
   83  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.9000   0.1400  -0.400000   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    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  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    45   440.000  1.360
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   275.000  1.510
   55    57   260.000  1.509
   55    64   275.000  1.510
   55    72   335.000  1.432
   57    58   340.000  1.088
   57    66   275.000  1.510
   57    72   335.000  1.432
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.510
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    82   317.000  1.510
   82    83   340.000  1.090
   82    53   268.000  1.529
   82    69   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    69   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   320.000  1.410
   84    64   320.000  1.380
   64    65   340.000  1.090
   64    70   380.000  1.407
   70    71   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   320.000  1.410
   46    47   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    45    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    46    90.00000  110.39200
   40    45    48    90.00000  111.18400
   45    40    41    65.00000  121.00000
   45    48    49    35.00000  109.50000
   45    48    50    50.00000  109.50000
   45    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    70.00000  112.37300
   48    53    82    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    60.00000  120.94000
   50    55    64    75.00000  109.43000
   50    55    72    80.00000  116.47100
   52    50    51    33.00000  107.80000
   55    50    51    45.00000  109.38400
   55    50    52    45.00000  109.38400
   55    57    58    37.50000  117.20000
   55    57    66    60.00000  120.94000
   55    57    72    15.00000   60.43100
   55    64    84    90.00000  108.56700
   55    64    65    45.00000  112.01100
   55    64    70    90.00000  110.19100
   55    72    57    15.00000   59.14900
   57    66    67    45.00000  109.38400
   57    66    68    45.00000  109.38400
   57    66    73    70.00000  112.37300
   66    57    58    40.00000  115.04500
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    70.00000  112.02700
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    76    77    70.00000  124.00000
   73    76    79    65.00000  117.92700
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    77    78    35.00000  120.00000
   76    77    82    70.00000  124.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    84    85.00000  110.90400
   77    82    83    35.00000  109.50000
   77    82    53    70.00000  112.02700
   77    82    69    85.00000  110.90400
   82    77    78    35.00000  117.00000
   82    53    54    37.50000  110.70000
   82    53    56    70.00000  112.02700
   82    69    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    82    83    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    69    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   69    82    83    35.00000  109.50000
   69    82    53    50.00000  109.50000
   69    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   79    76    77    70.00000  124.00000
   79    84    64    60.00000  109.50000
   81    79    80    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    81    35.00000  109.50000
   84    64    65    35.00000  109.50000
   84    64    70   110.00000  112.08000
   64    55    57    60.00000  120.94000
   64    70    71    70.00000  107.92000
   70    64    65    60.00000  108.02500
   72    55    57    15.00000   60.43100
   72    55    64    80.00000  116.47100
   72    57    58    50.00000  114.27700
   72    57    66    80.00000  116.47100
   42    39    40    70.00000  124.00000
   42    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    35.00000  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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    45   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    46   0.18000  1.0 1.0
   33    39    42    46   0.16450 -1.0 2.0
   33    39    42    46   0.04450  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    45    48  -2.26850  1.0 1.0
   39    40    45    48   3.39050 -1.0 2.0
   39    42    46    47  -0.07800  1.0 1.0
   39    42    46    47  -0.21500 -1.0 2.0
   39    42    46    47  -0.03150  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    46   0.67800  1.0 1.0
   40    39    42    46   0.47050 -1.0 2.0
   40    39    42    46  -0.62500  1.0 3.0
   40    45    48    49   0.08050  1.0 3.0
   40    45    48    50  -0.46850  1.0 1.0
   40    45    48    50   0.09300 -1.0 2.0
   40    45    48    50  -0.12850  1.0 3.0
   40    45    48    53  -0.46850  1.0 1.0
   40    45    48    53   0.09300 -1.0 2.0
   40    45    48    53  -0.12850  1.0 3.0
   41    40    45    48   2.00000 -1.0 2.0
   45    48    50    51   0.23400  1.0 3.0
   45    48    50    52   0.23400  1.0 3.0
   45    48    50    55  -0.26800  1.0 1.0
   45    48    50    55   0.69150 -1.0 2.0
   45    48    50    55  -0.48750  1.0 3.0
   45    48    53    82   0.62750  1.0 1.0
   45    48    53    82  -0.30950 -1.0 2.0
   45    48    53    82   0.27300  1.0 3.0
   45    48    53    54   0.23400  1.0 3.0
   45    48    53    56   0.61850  1.0 1.0
   45    48    53    56  -0.22750 -1.0 2.0
   45    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.07850  1.0 1.0
   48    50    55    57  -0.03950 -1.0 2.0
   48    50    55    57   0.67350  1.0 3.0
   48    50    55    64   3.97050  1.0 1.0
   48    50    55    72   0.02550  1.0 1.0
   48    50    55    72  -0.02600 -1.0 2.0
   48    50    55    72   1.20400  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    82   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    82   0.56750  1.0 1.0
   50    48    53    82  -0.07550 -1.0 2.0
   50    48    53    82   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   0.15000  1.0 3.0
   50    55    57    66   0.56750  1.0 1.0
   50    55    57    66  -0.07550 -1.0 2.0
   50    55    57    66   0.20000  1.0 3.0
   50    55   -57    72   0.02550  1.0 1.0
   50    55   -57    72  -0.02600 -1.0 2.0
   50    55   -57    72   1.20400  1.0 3.0
   50    55    64    84   0.62750  1.0 1.0
   50    55    64    84  -0.30950 -1.0 2.0
   50    55    64    84   0.27300  1.0 3.0
   50    55    64    65   0.15000  1.0 3.0
   50    55    64    70   0.86500  1.0 1.0
   50    55    64    70  -0.17500 -1.0 2.0
   50    55    64    70   0.20800  1.0 3.0
   50    55   -72    57   0.06250  1.0 1.0
   50    55   -72    57  -0.01100 -1.0 2.0
   50    55   -72    57   0.28050  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    64   0.15000  1.0 3.0
   51    50    55    72   0.23400  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    64   0.15000  1.0 3.0
   52    50    55    72   0.23400  1.0 3.0
   55    57    66    67   0.15000  1.0 3.0
   55    57    66    68   0.15000  1.0 3.0
   55    57    66    73   0.07850  1.0 1.0
   55    57    66    73  -0.03950 -1.0 2.0
   55    57    66    73   0.67350  1.0 3.0
   55    64    70    71  -0.11600  1.0 1.0
   55    64    70    71  -0.09450 -1.0 2.0
   55    64    70    71   0.21250  1.0 3.0
   57    55    64    84  -0.26800  1.0 1.0
   57    55    64    84   0.69150 -1.0 2.0
   57    55    64    84  -0.48750  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    70   0.86500  1.0 1.0
   57    55    64    70  -0.17500 -1.0 2.0
   57    55    64    70   0.20800  1.0 3.0
   57    66    73    74   0.15000  1.0 3.0
   57    66    73    75   0.15000  1.0 3.0
   57    66    73    76   0.34400  1.0 1.0
   57    66    73    76   0.09450 -1.0 2.0
   57    66    73    76   0.11100  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    68   0.15000  1.0 3.0
   58    57    66    73   0.15000  1.0 3.0
   58    57   -72    55   0.36800  1.0 3.0
   66    57   -72    55   0.06250  1.0 1.0
   66    57   -72    55  -0.01100 -1.0 2.0
   66    57   -72    55   0.28050  1.0 3.0
   66    73    76    77   0.09850  1.0 1.0
   66    73    76    77   0.15250 -1.0 2.0
   66    73    76    77  -0.50650  1.0 3.0
   66    73    76    79   0.46850  1.0 1.0
   66    73    76    79   0.08550 -1.0 2.0
   66    73    76    79   0.09800  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    76   0.15000  1.0 3.0
   73    76    77    78   7.00000 -1.0 2.0
   73    76    77    82   7.00000 -1.0 2.0
   73    76    79    80   0.34800  1.0 3.0
   73    76    79    81   0.34800  1.0 3.0
   73    76    79    84   0.09700  1.0 1.0
   73    76    79    84   0.15600 -1.0 2.0
   73    76    79    84  -0.50800  1.0 3.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    79   0.34800  1.0 3.0
   75    73    76    77   0.00000  1.0 1.0
   75    73    76    79   0.34800  1.0 3.0
   76    77    82    83   0.00000  1.0 1.0
   76    77    82    53   0.09850  1.0 1.0
   76    77    82    53   0.15250 -1.0 2.0
   76    77    82    53  -0.50650  1.0 3.0
   76    77    82    69   0.39000  1.0 1.0
   76    77    82    69  -0.05800 -1.0 2.0
   76    77    82    69  -0.55150  1.0 3.0
   76    79    84    64  -0.77900  1.0 1.0
   76    79    84    64  -0.36900 -1.0 2.0
   76    79    84    64   0.40400  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    84   0.39000  1.0 1.0
   77    76    79    84  -0.05800 -1.0 2.0
   77    76    79    84  -0.55150  1.0 3.0
   77    82    53    48   0.34400  1.0 1.0
   77    82    53    48   0.09450 -1.0 2.0
   77    82    53    48   0.11100  1.0 3.0
   77    82    53    54   0.15000  1.0 3.0
   77    82    53    56   0.31000  1.0 1.0
   77    82    53    56   0.14700 -1.0 2.0
   77    82    53    56   0.07550  1.0 3.0
   77    82    69    59  -0.82050  1.0 1.0
   77    82    69    59   0.00600 -1.0 2.0
   77    82    69    59   0.04400  1.0 3.0
   78    77    82    83   0.33100  1.0 3.0
   78    77    82    53   0.00000  1.0 1.0
   78    77    82    69   0.00000  1.0 1.0
   82    53   -56    59   0.09700  1.0 1.0
   82    53   -56    59   0.15600 -1.0 2.0
   82    53   -56    59  -0.50800  1.0 3.0
   82    53    56    61   0.09850  1.0 1.0
   82    53    56    61   0.15250 -1.0 2.0
   82    53    56    61  -0.50650  1.0 3.0
   83    82    53    48   0.15000  1.0 3.0
   83    82    53    54   0.15000  1.0 3.0
   83    82    53    56   0.15000  1.0 3.0
   83    82    69    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.47050  1.0 1.0
   53    48    50    55   0.03900 -1.0 2.0
   53    48    50    55   0.20100  1.0 3.0
   53    82   -69    59  -0.25900  1.0 1.0
   53    82   -69    59  -0.47000 -1.0 2.0
   53    82   -69    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    69  -0.15000  1.0 1.0
   53    56   -59    69   0.89550 -1.0 2.0
   53    56   -59    69  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -69    82   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    69    82   3.00000 -1.0 2.0
   69    82    53    48   0.62750  1.0 1.0
   69    82    53    48  -0.30950 -1.0 2.0
   69    82    53    48   0.27300  1.0 3.0
   69    82    53    54   0.23400  1.0 3.0
   69    82   -53    56   0.61850  1.0 1.0
   69    82   -53    56  -0.22750 -1.0 2.0
   69    82   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    69  -0.56150  1.0 1.0
   61    56    59    69   2.19150 -1.0 2.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    82   7.00000 -1.0 2.0
   79    84    64    55   0.06250  1.0 1.0
   79    84    64    55  -0.01100 -1.0 2.0
   79    84    64    55   0.28050  1.0 3.0
   79    84    64    65   0.37050  1.0 3.0
   79    84    64    70  -0.70900  1.0 1.0
   79    84    64    70  -1.18000 -1.0 2.0
   79    84    64    70   0.91650  1.0 3.0
   80    79    84    64   0.37050  1.0 3.0
   81    79    84    64   0.37050  1.0 3.0
   84    64    70    71  -0.50000  1.0 1.0
   84    64    70    71  -0.73950 -1.0 2.0
   84    64    70    71   0.17150  1.0 3.0
   64    55    57    58   0.15000  1.0 3.0
   64    55    57    66   3.97050  1.0 1.0
   64    55   -57    72   0.02550  1.0 1.0
   64    55   -57    72  -0.02600 -1.0 2.0
   64    55   -57    72   1.20400  1.0 3.0
   64    55   -72    57   0.06250  1.0 1.0
   64    55   -72    57  -0.01100 -1.0 2.0
   64    55   -72    57   0.28050  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   72    55   -57    58   0.23400  1.0 3.0
   72    55   -57    66   0.02550  1.0 1.0
   72    55   -57    66  -0.02600 -1.0 2.0
   72    55   -57    66   1.20400  1.0 3.0
   72    55    64    84   1.11900  1.0 1.0
   72    55    64    84  -1.16350 -1.0 2.0
   72    55    64    84  -0.34150  1.0 3.0
   72    55    64    65   0.23400  1.0 3.0
   72    55    64    70   3.69350  1.0 1.0
   72    55    64    70  -1.82950 -1.0 2.0
   72    57    66    67   0.23400  1.0 3.0
   72    57    66    68   0.23400  1.0 3.0
   72    57    66    73   0.02550  1.0 1.0
   72    57    66    73  -0.02600 -1.0 2.0
   72    57    66    73   1.20400  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    45   7.00000 -1.0 2.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47   0.19450  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
   37    30    36    38  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    45    40    39  15.00000 -1.0 2.0
   73    79    76    77   1.10000 -1.0 2.0
   82    78    77    76   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    69    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
END
