* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    152    242     453
    1     0 S   NP   _N1_     1    28.79885    94.13720   -20.56287
    2     1 S   H    _HN1     2     1.02768    88.20805   -65.69491
    3     1 S   H    _H1_     3     1.02955    97.11036    42.62795
    4     1 S   H    _H2_     4     1.02830    26.96346   156.44080
    5     1 S   CT   _CA1     5     1.50199   136.89521   172.80811
    6     5 S   HC   _HA1     6     1.09568   105.16521    51.34178
    7     5 S   CO3  _C1_     7     1.53913   112.34441   -68.72834
    8     7 S   O2Z  _O11     8     1.26397   114.95529   -38.73392
    9     7 S   O2Z  _O12     9     1.26262   114.93947   140.03606
   10     5 S   CT   _CB1    10     1.53089   107.37017   169.32687
   11    10 S   HC   HB11    11     1.09810   109.44623   -47.68971
   12    10 S   HC   HB12    12     1.09831   110.34210    68.89865
   13    10 S   CT   _CG1    13     1.53015   112.71832  -168.83547
   14    13 S   HC   HG11    14     1.09358   110.30858   -59.45084
   15    13 S   HC   HG12    15     1.09621   110.24947    59.35028
   16    13 S   C    _CD1    16     1.51828   111.84454   178.93504
   17    16 S   O    _OE1    17     1.22793   122.76041   -25.17681
   18    16 S   N    _N2_    18     1.38571   112.19520   156.67570
   19    18 S   H    _HN2    19     1.01556   119.11330    -0.65998
   20    18 S   CT1  _CA2    20     1.46241   123.36652   179.51021
   21    20 S   HC   _HA2    21     1.09736   109.28375   -15.02619
   22    20 S   C    _C2_    22     1.53426   107.98179  -130.57822
   23    22 S   O    _O2_    23     1.23007   122.35955  -144.58774
   24    20 S   CT   _CB2    32     1.53425   111.88497   107.20699
   25    24 S   HC   HB21    33     1.09576   110.02393    55.71412
   26    24 S   HC   HB22    34     1.09527   110.27429   174.66182
   27    22 S   N    _N3_    24     1.38547   113.29597    42.63283
   28    27 S   H    _HN3    25     1.01531   118.90264    -0.42933
   29    24 S   S    _SG2    35     1.82378   112.06529   -65.40967
   30    27 S   CT   _CA3    26     1.45438   123.38175   175.21943
   31    30 S   HC   HA31    27     1.09529   109.13408    26.23692
   32    30 S   HC   HA32    28     1.09493   107.14284   143.22406
   33    29 S   CT   _C21    36     1.81848    98.79769   176.72446
   34    33 S   HC   _H3_    37     1.09295   110.69601   -49.76295
   35    33 S   HC   _H4_    38     1.09517   107.83077    66.20983
   36    30 S   CO3  _C3_    29     1.52933   113.20197   -97.17009
   37    36 S   O2Z  _O31    30     1.26395   115.44818   -43.52546
   38    36 S   O2Z  _O32    31     1.26361   114.95161   137.41876
   39    33 S   CM   _C4_    39     1.49931   110.43966  -172.03080
   40    39 S   CMA  _C5_    40     1.35290   126.14587   -99.30995
   41    40 S   OM   _O20    41     1.26305   128.31904     2.59254
   42    40 S   OS   _O22    42     1.42169   109.31001  -175.51432
   43    42 S   CT   _C19    43     1.43926   105.08505   -20.93444
   44    43 S   HC   _H41    44     1.10046   106.63244   -82.70969
   45    39 S   CT   _C15    45     1.50904   123.35409    88.58651
   46    45 S   HC   _H37    46     1.10052   105.60960    81.64033
   47    43 S   CT   _C17    61     1.54451   111.44783   157.00807
   48    47 S   HC   _H39    62     1.09859   109.39343   -81.37238
   49    45 S   CT   _C20    47     1.53894   118.93451   -40.11785
   50    49 S   HC   _H42    48     1.09749   109.80623   -49.70497
   51    49 S   CT   _C13    49     1.53948   112.61159  -173.41751
   52    51 S   HC   _H33    50     1.09807   110.47901   -51.31542
   53    51 S   HC   _H34    51     1.09855   109.52756  -164.96683
   54    49 S   OS   _O25    71     1.45177   107.61033    69.68586
   55    51 S   CM   _C6_    52     1.50532   112.86774    73.01567
   56    54 S   CO4  _C12    72     1.36021   117.48607  -155.40680
   57    56 S   O    _O21    73     1.22235   125.71671     1.72090
   58    55 S   CT   _C16    53     1.51571   116.59665   -89.42755
   59    58 S   HC   _H38    54     1.10111   106.62251   -78.25871
   60    55 S   CM   _C8_    68     1.34466   119.18557    92.08972
   61    60 S   HC   _H27    69     1.08352   122.60270   178.66060
   62    60 S   HC   _H28    70     1.08661   121.02795    -1.12379
   63    56 S   CM   _C11    74     1.48962   109.91841  -178.29946
   64    58 S   CT   _C14    55     1.53822   115.05534   162.29535
   65    64 S   HC   _H35    56     1.09839   111.93598   -48.63750
   66    64 S   HC   _H36    57     1.09613   112.16654    71.71588
   67    63 S   CM   _C10    75     1.34223   117.08537  -175.47584
   68    67 S   HC   _H31    76     1.08552   120.97261   179.64118
   69    67 S   HC   _H32    77     1.08523   122.56340    -1.10305
   70    63 S   CT   _C22    78     1.49879   120.73244     3.53280
   71    70 S   HC   _H45    79     1.09453   111.02062   -52.73202
   72    70 S   HC   _H46    80     1.09543   111.58890  -172.74702
   73    64 S   CT   _C18    58     1.52028   104.48301  -168.52194
   74    73 S   HC   _H40    59     1.09611   110.86669   -86.25608
   75    70 S   OH   _O24    81     1.42146   109.46725    67.84928
   76    75 S   HO   _H48    82     0.97223   107.02976  -177.48456
   77    73 S   CM   _C7_    60     1.50097   103.38966    31.82074
   78    73 S   OH   _O23    66     1.41527   110.91990   151.70605
   79    78 S   HO   _H47    67     0.97203   107.45580    57.99969
   80    77 S   CM   _C9_    63     1.34028   123.86736   173.40311
   81    80 S   HC   _H29    64     1.08473   121.11940    -2.84118
   82    80 S   HC   _H30    65     1.08480   121.20941   177.28884
  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  12   8   3   9  16   7  13   5  17   7
  11   6  11   5   4   6  10   9   3  12   6   3   1   1   8   8
   5   4   6   2   1   4   3   2   7   4   1   1   5   2   1   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    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    51    47    54  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    58    77    47    48  
   44    45    46    49    50    51    55    58    59    64    73    77    47    48    80    54  
   45    46    49    58    77    47    48  
   46    49    50    51    52    53    55    58    77    47    48    54    56  
   49    50    51    47    54  
   48    80    81    82    78    60    49    51    55    58    59    64    65    66    73    74    77  
   80    55    58    59    64    73    77  
   50    51    52    53    55    58    60    54    56    57    63  
   51    52    53    55    54    56  
   52    53    55    58    59    64    60    61    62    54    56  
   53    55    58    60    54  
   55    58    60    54  
   56    57    63    67    70    55  
   58    59    64    65    66    73    77    60    61    62  
   57    63    67    68    69    70    71    72    75  
   63    67    70  
   59    64    65    66    73    74    77    80    78    60    61    62  
   64    65    66    73    77    60  
   61    62    64  
   62  
    0  
   67    68    69    70    71    72    75    76  
   65    66    73    74    77    80    78    79  
   66    73    74    77    78  
   73    74    77    78  
   68    69    70    71    72    75  
   69    70  
   70  
   71    72    75    76  
   72    75    76  
   75    76  
   74    77    80    81    82    78    79  
   77    80    78    79  
   76  
    0  
   80    81    82    78    79  
   79    80  
    0  
   81    82  
   82  
    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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
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    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   317.000  1.510
   55    58   317.000  1.510
   55    60   549.000  1.340
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    47   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    73   268.000  1.529
   73    74   340.000  1.090
   73    77   317.000  1.510
   73    78   320.000  1.410
   77    47   317.000  1.510
   77    80   549.000  1.340
   47    48   340.000  1.090
   80    81   340.000  1.080
   80    82   340.000  1.080
   78    79   553.000  0.945
   60    61   340.000  1.080
   60    62   340.000  1.080
   54    56   214.000  1.327
   56    57   570.000  1.229
   56    63   320.000  1.462
   63    67   549.000  1.340
   63    70   317.000  1.510
   67    68   340.000  1.080
   67    69   340.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   320.000  1.410
   75    76   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    45    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    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    58    58.35000  112.70000
   43    47    77    70.00000  112.02700
   43    47    48    37.50000  110.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    58.35000  112.70000
   45    49    54    50.00000  109.50000
   49    45    46    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    55    70.00000  112.02700
   49    54    56    83.00000  116.90000
   51    49    50    37.50000  110.70000
   51    55    58    65.00000  117.92700
   51    55    60    70.00000  124.00000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    58    59    35.00000  109.50000
   55    58    64    70.00000  112.02700
   55    58    47    70.00000  112.02700
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    73    58.35000  112.70000
   58    47    77    70.00000  112.02700
   58    47    48    37.50000  110.70000
   64    58    59    37.50000  110.70000
   64    73    74    37.50000  110.70000
   64    73    77    70.00000  112.02700
   64    73    78    50.00000  109.50000
   66    64    65    33.00000  107.80000
   73    64    65    37.50000  110.70000
   73    64    66    37.50000  110.70000
   73    77    47    65.00000  117.92700
   73    77    80    70.00000  124.00000
   73    78    79    55.00000  108.50000
   77    73    74    35.00000  109.50000
   77    47    48    35.00000  109.50000
   77    80    81    35.00000  120.00000
   77    80    82    35.00000  120.00000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    58    59    37.50000  110.70000
   47    58    64    58.35000  112.70000
   80    77    47    70.00000  124.00000
   82    80    81    35.00000  117.00000
   78    73    74    35.00000  109.50000
   78    73    77    90.00000  110.39200
   60    55    58    70.00000  124.00000
   62    60    61    35.00000  117.00000
   54    49    50    35.00000  109.50000
   54    49    51    50.00000  109.50000
   54    56    57    83.00000  123.40000
   54    56    63    90.00000  111.29400
   56    63    67    65.00000  118.96000
   56    63    70    65.00000  116.34900
   63    56    57    80.00000  123.72100
   63    67    68    35.00000  120.00000
   63    67    69    35.00000  120.00000
   63    70    71    35.00000  109.50000
   63    70    72    35.00000  109.50000
   63    70    75    90.00000  110.39200
   69    67    68    35.00000  117.00000
   70    63    67    70.00000  124.00000
   70    75    76    55.00000  108.50000
   72    70    71    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    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    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    51   0.34400  1.0 1.0
   39    45    49    51   0.09450 -1.0 2.0
   39    45    49    51   0.11100  1.0 3.0
   39    45    49    54   0.61850  1.0 1.0
   39    45    49    54  -0.22750 -1.0 2.0
   39    45    49    54   0.15300  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    58   0.62750  1.0 1.0
   42    43    47    58  -0.30950 -1.0 2.0
   42    43    47    58   0.27300  1.0 3.0
   42    43    47    77   0.61850  1.0 1.0
   42    43    47    77  -0.22750 -1.0 2.0
   42    43    47    77   0.15300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    51   0.56750  1.0 1.0
   43    45    49    51  -0.07550 -1.0 2.0
   43    45    49    51   0.20000  1.0 3.0
   43    45    49    54   0.62750  1.0 1.0
   43    45    49    54  -0.30950 -1.0 2.0
   43    45    49    54   0.27300  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    58   0.15000  1.0 3.0
   44    43    47    77   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    58   0.56750  1.0 1.0
   45    43    47    58  -0.07550 -1.0 2.0
   45    43    47    58   0.20000  1.0 3.0
   45    43    47    77   0.34400  1.0 1.0
   45    43    47    77   0.09450 -1.0 2.0
   45    43    47    77   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    51    52   0.15000  1.0 3.0
   45    49    51    53   0.15000  1.0 3.0
   45    49    51    55   0.34400  1.0 1.0
   45    49    51    55   0.09450 -1.0 2.0
   45    49    51    55   0.11100  1.0 3.0
   45    49    54    56  -0.25900  1.0 1.0
   45    49    54    56  -0.47000 -1.0 2.0
   45    49    54    56   0.11750  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    54   0.23400  1.0 3.0
   49    51    55    58   0.46850  1.0 1.0
   49    51    55    58   0.08550 -1.0 2.0
   49    51    55    58   0.09800  1.0 3.0
   49    51    55    60   0.09850  1.0 1.0
   49    51    55    60   0.15250 -1.0 2.0
   49    51    55    60  -0.50650  1.0 3.0
   49    54    56    57   3.00000 -1.0 2.0
   49    54    56    63   2.00000 -1.0 2.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    54    56   0.08050  1.0 3.0
   51    49    54    56  -0.25900  1.0 1.0
   51    49    54    56  -0.47000 -1.0 2.0
   51    49    54    56   0.11750  1.0 3.0
   51    55    58    59   0.34800  1.0 3.0
   51    55    58    64   0.46850  1.0 1.0
   51    55    58    64   0.08550 -1.0 2.0
   51    55    58    64   0.09800  1.0 3.0
   51    55    58    47   0.46850  1.0 1.0
   51    55    58    47   0.08550 -1.0 2.0
   51    55    58    47   0.09800  1.0 3.0
   51    55    60    61   7.00000 -1.0 2.0
   51    55    60    62   7.00000 -1.0 2.0
   52    51    55    58   0.34800  1.0 3.0
   52    51    55    60   0.00000  1.0 1.0
   53    51    55    58   0.34800  1.0 3.0
   53    51    55    60   0.00000  1.0 1.0
   55    58    64    65   0.15000  1.0 3.0
   55    58    64    66   0.15000  1.0 3.0
   55    58    64    73   0.34400  1.0 1.0
   55    58    64    73   0.09450 -1.0 2.0
   55    58    64    73   0.11100  1.0 3.0
   55    58    47    43   0.34400  1.0 1.0
   55    58    47    43   0.09450 -1.0 2.0
   55    58    47    43   0.11100  1.0 3.0
   55    58    47    77   0.31000  1.0 1.0
   55    58    47    77   0.14700 -1.0 2.0
   55    58    47    77   0.07550  1.0 3.0
   55    58    47    48   0.15000  1.0 3.0
   58    55    60    61   7.00000 -1.0 2.0
   58    55    60    62   7.00000 -1.0 2.0
   58    64    73    74   0.15000  1.0 3.0
   58    64   -73    77   0.34400  1.0 1.0
   58    64   -73    77   0.09450 -1.0 2.0
   58    64   -73    77   0.11100  1.0 3.0
   58    64    73    78   0.86500  1.0 1.0
   58    64    73    78  -0.17500 -1.0 2.0
   58    64    73    78   0.20800  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    73   0.15000  1.0 3.0
   59    58    47    43   0.15000  1.0 3.0
   59    58    47    77   0.15000  1.0 3.0
   59    58    47    48   0.15000  1.0 3.0
   64    58    47    43   0.56750  1.0 1.0
   64    58    47    43  -0.07550 -1.0 2.0
   64    58    47    43   0.20000  1.0 3.0
   64    58   -47    77   0.34400  1.0 1.0
   64    58   -47    77   0.09450 -1.0 2.0
   64    58   -47    77   0.11100  1.0 3.0
   64    58    47    48   0.15000  1.0 3.0
   64    73   -77    47   0.46850  1.0 1.0
   64    73   -77    47   0.08550 -1.0 2.0
   64    73   -77    47   0.09800  1.0 3.0
   64    73    77    80   0.09850  1.0 1.0
   64    73    77    80   0.15250 -1.0 2.0
   64    73    77    80  -0.50650  1.0 3.0
   64    73    78    79  -0.11600  1.0 1.0
   64    73    78    79  -0.09450 -1.0 2.0
   64    73    78    79   0.21250  1.0 3.0
   65    64    73    74   0.15000  1.0 3.0
   65    64    73    77   0.15000  1.0 3.0
   65    64    73    78   0.23400  1.0 3.0
   66    64    73    74   0.15000  1.0 3.0
   66    64    73    77   0.15000  1.0 3.0
   66    64    73    78   0.23400  1.0 3.0
   73    77    47    43   0.46850  1.0 1.0
   73    77    47    43   0.08550 -1.0 2.0
   73    77    47    43   0.09800  1.0 3.0
   73    77   -47    58   0.46850  1.0 1.0
   73    77   -47    58   0.08550 -1.0 2.0
   73    77   -47    58   0.09800  1.0 3.0
   73    77    47    48   0.34800  1.0 3.0
   73    77    80    81   7.00000 -1.0 2.0
   73    77    80    82   7.00000 -1.0 2.0
   74    73    77    47   0.34800  1.0 3.0
   74    73    77    80   0.00000  1.0 1.0
   74    73    78    79   0.19450  1.0 3.0
   77    73    78    79  -0.07800  1.0 1.0
   77    73    78    79  -0.21500 -1.0 2.0
   77    73    78    79  -0.03150  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.56750  1.0 1.0
   47    43    45    49  -0.07550 -1.0 2.0
   47    43    45    49   0.20000  1.0 3.0
   47    58    64    65   0.15000  1.0 3.0
   47    58    64    66   0.15000  1.0 3.0
   47    58   -64    73   0.56750  1.0 1.0
   47    58   -64    73  -0.07550 -1.0 2.0
   47    58   -64    73   0.20000  1.0 3.0
   47    77    80    81   7.00000 -1.0 2.0
   47    77    80    82   7.00000 -1.0 2.0
   80    77    47    43   0.09850  1.0 1.0
   80    77    47    43   0.15250 -1.0 2.0
   80    77    47    43  -0.50650  1.0 3.0
   80    77    47    58   0.09850  1.0 1.0
   80    77    47    58   0.15250 -1.0 2.0
   80    77    47    58  -0.50650  1.0 3.0
   80    77    47    48   0.00000  1.0 1.0
   78    73    77    47   0.18000  1.0 1.0
   78    73    77    47   0.16450 -1.0 2.0
   78    73    77    47   0.04450  1.0 3.0
   78    73    77    80   0.67800  1.0 1.0
   78    73    77    80   0.47050 -1.0 2.0
   78    73    77    80  -0.62500  1.0 3.0
   60    55    58    59   0.00000  1.0 1.0
   60    55    58    64   0.09850  1.0 1.0
   60    55    58    64   0.15250 -1.0 2.0
   60    55    58    64  -0.50650  1.0 3.0
   60    55    58    47   0.09850  1.0 1.0
   60    55    58    47   0.15250 -1.0 2.0
   60    55    58    47  -0.50650  1.0 3.0
   54    49    51    52   0.23400  1.0 3.0
   54    49    51    53   0.23400  1.0 3.0
   54    49    51    55   0.61850  1.0 1.0
   54    49    51    55  -0.22750 -1.0 2.0
   54    49    51    55   0.15300  1.0 3.0
   54    56    63    67  -0.56150  1.0 1.0
   54    56    63    67   2.19150 -1.0 2.0
   54    56    63    70  -0.15000  1.0 1.0
   54    56    63    70   0.89550 -1.0 2.0
   54    56    63    70  -0.06900  1.0 3.0
   56    63    67    68   7.00000 -1.0 2.0
   56    63    67    69   7.00000 -1.0 2.0
   56    63    70    71   0.15000  1.0 3.0
   56    63    70    72   0.15000  1.0 3.0
   56    63    70    75   0.09700  1.0 1.0
   56    63    70    75   0.15600 -1.0 2.0
   56    63    70    75  -0.50800  1.0 3.0
   57    56    63    67   1.00000 -1.0 2.0
   57    56    63    70  -0.64400  1.0 1.0
   57    56    63    70   0.26850 -1.0 2.0
   63    70    75    76  -0.07800  1.0 1.0
   63    70    75    76  -0.21500 -1.0 2.0
   63    70    75    76  -0.03150  1.0 3.0
   67    63    70    71   0.00000  1.0 1.0
   67    63    70    72   0.00000  1.0 1.0
   67    63    70    75   0.67800  1.0 1.0
   67    63    70    75   0.47050 -1.0 2.0
   67    63    70    75  -0.62500  1.0 3.0
   70    63    67    68   7.00000 -1.0 2.0
   70    63    67    69   7.00000 -1.0 2.0
   71    70    75    76   0.19450  1.0 3.0
   72    70    75    76   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   51    58    55    60   1.10000 -1.0 2.0
   73    47    77    80   1.10000 -1.0 2.0
   81    82    80    77   1.10000 -1.0 2.0
   61    62    60    55   1.10000 -1.0 2.0
   54    63    56    57  10.50000 -1.0 2.0
   56    70    63    67  15.00000 -1.0 2.0
   68    69    67    63  15.00000 -1.0 2.0
END
