* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    150    239     446
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02080   104.21253   -35.46141
    3     1 S   H    _H1_     3     1.02137    69.11938    69.44717
    4     1 S   H    _H2_     4     1.02113    43.95372  -137.79501
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.80935    98.56242  -178.18285
   34    33 S   HC   _H16    37     1.09490   109.03407   -38.98181
   35    33 S   HC   _H17    38     1.09532   109.19104    78.68635
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C17    39     1.48179   110.20474  -159.98851
   40    39 S   CM   _C16    40     1.34020   128.72617   -89.61298
   41    40 S   OS   _O35    41     1.40381   114.78698  -178.25460
   42    40 S   OH   _O36    81     1.36766   124.59152     0.52675
   43    42 S   HO   _H18    82     0.96764   110.48683   179.97202
   44    41 S   CT   _C10    42     1.43882   100.04697   -21.33144
   45    44 S   HC   _H5_    43     1.10233   106.12252   -80.89917
   46    39 S   CT   _C9_    44     1.49160   124.54340    96.70716
   47    46 S   HC   _H4_    45     1.10158   105.70966    85.06636
   48    46 S   CT   _C8_    46     1.52345   123.90830   -40.78900
   49    48 S   HC   _H3_    47     1.09534   111.95020   -52.29773
   50    48 S   CT   _C7_    48     1.54267   108.36998  -174.79745
   51    50 S   HC   _H10    49     1.10001   108.76441   177.09930
   52    50 S   HC   _H11    50     1.10072   107.90319   -70.01969
   53    48 S   OS   _O37    69     1.42507   110.55254    68.32152
   54    50 S   CT   _C6_    51     1.55424   115.22847    52.45350
   55    53 S   CO4  _C19    70     1.36343   115.98300  -152.90401
   56    55 S   O    _O38    71     1.22345   125.57164    -0.00000
   57    54 S   CT   _C15    52     1.53671   109.54784    74.08799
   58    57 S   HC   _H14    53     1.09402   112.53349   -50.96147
   59    57 S   HC   _H15    54     1.09712   110.79223    67.37219
   60    54 S   CM   _C5_    64     1.51520   107.35941  -167.91248
   61    60 S   HC   _H9_    65     1.08603   117.15465  -120.05291
   62    55 S   CM   _C20    72     1.48985   109.95335  -179.89913
   63    57 S   OS   _O34    55     1.44478   114.06321  -172.50543
   64    60 S   CM   _C4_    66     1.33736   123.98840    60.01308
   65    64 S   HC   _H7_    67     1.08484   120.39565   179.95577
   66    64 S   HC   _H8_    68     1.08383   121.59246     0.00000
   67    62 S   CM   _C21    73     1.34123   116.96185  -150.12988
   68    67 S   HC   _H19    74     1.08519   120.83740  -179.52605
   69    67 S   HC   _H20    75     1.08450   122.69887     0.44411
   70    62 S   CT   _C22    76     1.50015   120.94191    30.90861
   71    70 S   HC   _H21    77     1.09505   111.68815   -61.05575
   72    70 S   HC   _H22    78     1.09532   110.84096   178.77092
   73    63 S   CO4  _C14    56     1.35429   124.98512    30.75489
   74    73 S   O    _O33    57     1.22765   120.73403   171.63017
   75    70 S   OH   _O39    79     1.42190   109.45405    58.39736
   76    75 S   HO   _H23    80     0.97144   106.74480   179.97202
   77    73 S   CM   _C12    58     1.48029   116.72307    -9.97202
   78    44 S   CT   _C11    59     1.53709   115.21413   158.07945
   79    78 S   HC   _H6_    60     1.10029   107.62144   -59.22959
   80    77 S   CM   _C13    61     1.34316   116.99285  -165.39622
   81    80 S   HC   _H12    62     1.07975   120.36165  -179.96574
   82    80 S   HC   _H13    63     1.07962   120.35308     0.05595
  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  13   9  11   3   1  15   7  12   5  12
   6  15   6   5   6  14   9   3  11   5   4   8   4   8   5   3
   1   1   6   2   1   4   3   2   7   3   1   1   5   4   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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    47    48    42  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    44    45    46    47    48    49    50    78    53    42    43  
   41    44    45    46    47    48    78    42    43  
   44    45    46    47    48    54    77    78    79    42    43  
   43    44    46  
    0  
   45    46    47    48    49    50    54    57    73    77    78    79    80    60    53  
   46    47    48    54    77    78    79  
   47    48    49    50    51    52    54    77    78    79    53    55  
   48    49    50    78    53  
   49    50    51    52    54    57    78    60    53    55    56    62  
   50    51    52    54    53    55  
   51    52    54    57    58    59    63    77    78    79    60    61    64    53    55  
   52    54    57    78    60    53  
   54    57    78    60    53  
   55    56    62    67    70    54  
   57    58    59    63    73    77    78    79    80    60    61    64    65    66  
   56    62    67    68    69    70    71    72    75  
   62    67    70  
   58    59    63    73    74    77    78    79    60    61    64  
   59    63    73    78    60  
   63    73    78    60  
   61    64    65    66    63    77    78    79  
   64    65    66    78  
   67    68    69    70    71    72    75    76  
   73    74    77    78    80  
   65    66    78  
   66  
    0  
   68    69    70    71    72    75  
   69    70  
   70  
   71    72    75    76  
   72    75    76  
   75    76  
   74    77    78    79    80    81    82  
   77    78    80  
   76  
    0  
   78    79    80    81    82  
   79    80    81    82  
   80  
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.1200   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   549.000  1.340
   39    46   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    78   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   268.000  1.529
   54    57   268.000  1.529
   54    78   268.000  1.529
   54    60   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   320.000  1.410
   63    73   214.000  1.327
   73    74   570.000  1.229
   73    77   320.000  1.462
   77    78   317.000  1.510
   77    80   549.000  1.340
   78    79   340.000  1.090
   80    81   340.000  1.080
   80    82   340.000  1.080
   60    61   340.000  1.080
   60    64   549.000  1.340
   64    65   340.000  1.080
   64    66   340.000  1.080
   53    55   214.000  1.327
   55    56   570.000  1.229
   55    62   320.000  1.462
   62    67   549.000  1.340
   62    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
   42    43   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    46    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    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    46    44    70.00000  112.02700
   39    46    47    35.00000  109.50000
   39    46    48    70.00000  112.02700
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    78    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    78    54    58.35000  112.70000
   44    78    77    70.00000  112.02700
   44    78    79    37.50000  110.70000
   46    39    40    70.00000  124.00000
   46    44    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    58.35000  112.70000
   46    48    53    50.00000  109.50000
   48    46    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    54    58.35000  112.70000
   48    53    55    83.00000  116.90000
   50    48    49    37.50000  110.70000
   50    54    57    58.35000  112.70000
   50    54    78    58.35000  112.70000
   50    54    60    70.00000  112.02700
   52    50    51    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    63    50.00000  109.50000
   54    78    77    70.00000  112.02700
   54    78    79    37.50000  110.70000
   54    60    61    35.00000  117.00000
   54    60    64    70.00000  124.00000
   57    63    73    83.00000  116.90000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   63    73    74    83.00000  123.40000
   63    73    77    90.00000  111.29400
   73    77    78    65.00000  116.34900
   73    77    80    65.00000  118.96000
   77    73    74    80.00000  123.72100
   77    78    79    35.00000  109.50000
   77    80    81    35.00000  120.00000
   77    80    82    35.00000  120.00000
   78    44    45    37.50000  110.70000
   78    44    46    58.35000  112.70000
   78    54    57    58.35000  112.70000
   80    77    78    70.00000  124.00000
   82    80    81    35.00000  117.00000
   60    54    57    70.00000  112.02700
   60    54    78    70.00000  112.02700
   60    64    65    35.00000  120.00000
   60    64    66    35.00000  120.00000
   64    60    61    35.00000  120.00000
   66    64    65    35.00000  117.00000
   53    48    49    35.00000  109.50000
   53    48    50    50.00000  109.50000
   53    55    56    83.00000  123.40000
   53    55    62    90.00000  111.29400
   55    62    67    65.00000  118.96000
   55    62    70    65.00000  116.34900
   62    55    56    80.00000  123.72100
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   62    70    71    35.00000  109.50000
   62    70    72    35.00000  109.50000
   62    70    75    90.00000  110.39200
   69    67    68    35.00000  117.00000
   70    62    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
   42    40    41   115.00000  116.36000
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    46   0.30250  1.0 1.0
   29    33    39    46  -0.14950 -1.0 2.0
   29    33    39    46   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    46    44   0.46850  1.0 1.0
   33    39    46    44   0.08550 -1.0 2.0
   33    39    46    44   0.09800  1.0 3.0
   33    39    46    47   0.34800  1.0 3.0
   33    39    46    48   0.46850  1.0 1.0
   33    39    46    48   0.08550 -1.0 2.0
   33    39    46    48   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   39    46    48    49   0.15000  1.0 3.0
   39    46    48    50   0.34400  1.0 1.0
   39    46    48    50   0.09450 -1.0 2.0
   39    46    48    50   0.11100  1.0 3.0
   39    46    48    53   0.61850  1.0 1.0
   39    46    48    53  -0.22750 -1.0 2.0
   39    46    48    53   0.15300  1.0 3.0
   40    39   -46    44   0.09850  1.0 1.0
   40    39   -46    44   0.15250 -1.0 2.0
   40    39   -46    44  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    48   0.09850  1.0 1.0
   40    39    46    48   0.15250 -1.0 2.0
   40    39    46    48  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41   -44    46  -0.46850  1.0 1.0
   40    41   -44    46   0.09300 -1.0 2.0
   40    41   -44    46  -0.12850  1.0 3.0
   40    41    44    78  -0.46850  1.0 1.0
   40    41    44    78   0.09300 -1.0 2.0
   40    41    44    78  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    39   0.61850  1.0 1.0
   41    44   -46    39  -0.22750 -1.0 2.0
   41    44   -46    39   0.15300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.62750  1.0 1.0
   41    44    46    48  -0.30950 -1.0 2.0
   41    44    46    48   0.27300  1.0 3.0
   41    44    78    54   0.62750  1.0 1.0
   41    44    78    54  -0.30950 -1.0 2.0
   41    44    78    54   0.27300  1.0 3.0
   41    44    78    77   0.61850  1.0 1.0
   41    44    78    77  -0.22750 -1.0 2.0
   41    44    78    77   0.15300  1.0 3.0
   41    44    78    79   0.23400  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.56750  1.0 1.0
   44    46    48    50  -0.07550 -1.0 2.0
   44    46    48    50   0.20000  1.0 3.0
   44    46    48    53   0.62750  1.0 1.0
   44    46    48    53  -0.30950 -1.0 2.0
   44    46    48    53   0.27300  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    78    54   0.15000  1.0 3.0
   45    44    78    77   0.15000  1.0 3.0
   45    44    78    79   0.15000  1.0 3.0
   46    39   -40    41   7.00000 -1.0 2.0
   46    39    40    42   7.00000 -1.0 2.0
   46    44    78    54   0.56750  1.0 1.0
   46    44    78    54  -0.07550 -1.0 2.0
   46    44    78    54   0.20000  1.0 3.0
   46    44    78    77   0.34400  1.0 1.0
   46    44    78    77   0.09450 -1.0 2.0
   46    44    78    77   0.11100  1.0 3.0
   46    44    78    79   0.15000  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    52   0.15000  1.0 3.0
   46    48   -50    54   0.56750  1.0 1.0
   46    48   -50    54  -0.07550 -1.0 2.0
   46    48   -50    54   0.20000  1.0 3.0
   46    48    53    55  -0.25900  1.0 1.0
   46    48    53    55  -0.47000 -1.0 2.0
   46    48    53    55   0.11750  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    53   0.23400  1.0 3.0
   48    50    54    57   0.56750  1.0 1.0
   48    50    54    57  -0.07550 -1.0 2.0
   48    50    54    57   0.20000  1.0 3.0
   48    50    54    78   0.56750  1.0 1.0
   48    50    54    78  -0.07550 -1.0 2.0
   48    50    54    78   0.20000  1.0 3.0
   48    50    54    60   0.34400  1.0 1.0
   48    50    54    60   0.09450 -1.0 2.0
   48    50    54    60   0.11100  1.0 3.0
   48    53    55    56   3.00000 -1.0 2.0
   48    53    55    62   2.00000 -1.0 2.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    54   0.15000  1.0 3.0
   49    48    53    55   0.08050  1.0 3.0
   50    48    53    55  -0.25900  1.0 1.0
   50    48    53    55  -0.47000 -1.0 2.0
   50    48    53    55   0.11750  1.0 3.0
   50    54    57    58   0.15000  1.0 3.0
   50    54    57    59   0.15000  1.0 3.0
   50    54    57    63   0.62750  1.0 1.0
   50    54    57    63  -0.30950 -1.0 2.0
   50    54    57    63   0.27300  1.0 3.0
   50    54   -78    44   0.56750  1.0 1.0
   50    54   -78    44  -0.07550 -1.0 2.0
   50    54   -78    44   0.20000  1.0 3.0
   50    54    78    77   0.34400  1.0 1.0
   50    54    78    77   0.09450 -1.0 2.0
   50    54    78    77   0.11100  1.0 3.0
   50    54    78    79   0.15000  1.0 3.0
   50    54    60    61   0.00000  1.0 1.0
   50    54    60    64   0.09850  1.0 1.0
   50    54    60    64   0.15250 -1.0 2.0
   50    54    60    64  -0.50650  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   51    50    54    78   0.15000  1.0 3.0
   51    50    54    60   0.15000  1.0 3.0
   52    50    54    57   0.15000  1.0 3.0
   52    50    54    78   0.15000  1.0 3.0
   52    50    54    60   0.15000  1.0 3.0
   54    57    63    73  -0.25900  1.0 1.0
   54    57    63    73  -0.47000 -1.0 2.0
   54    57    63    73   0.11750  1.0 3.0
   54    60    64    65   7.00000 -1.0 2.0
   54    60    64    66   7.00000 -1.0 2.0
   57    54    78    44   0.56750  1.0 1.0
   57    54    78    44  -0.07550 -1.0 2.0
   57    54    78    44   0.20000  1.0 3.0
   57    54    78    77   0.34400  1.0 1.0
   57    54    78    77   0.09450 -1.0 2.0
   57    54    78    77   0.11100  1.0 3.0
   57    54    78    79   0.15000  1.0 3.0
   57    54    60    61   0.00000  1.0 1.0
   57    54    60    64   0.09850  1.0 1.0
   57    54    60    64   0.15250 -1.0 2.0
   57    54    60    64  -0.50650  1.0 3.0
   57    63    73    74   3.00000 -1.0 2.0
   57    63   -73    77   2.00000 -1.0 2.0
   58    57    63    73   0.08050  1.0 3.0
   59    57    63    73   0.08050  1.0 3.0
   63    73    77    78  -0.15000  1.0 1.0
   63    73    77    78   0.89550 -1.0 2.0
   63    73    77    78  -0.06900  1.0 3.0
   63    73    77    80  -0.56150  1.0 1.0
   63    73    77    80   2.19150 -1.0 2.0
   73    77    78    44   0.09700  1.0 1.0
   73    77    78    44   0.15600 -1.0 2.0
   73    77    78    44  -0.50800  1.0 3.0
   73    77   -78    54   0.09700  1.0 1.0
   73    77   -78    54   0.15600 -1.0 2.0
   73    77   -78    54  -0.50800  1.0 3.0
   73    77    78    79   0.15000  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    78  -0.64400  1.0 1.0
   74    73    77    78   0.26850 -1.0 2.0
   74    73    77    80   1.00000 -1.0 2.0
   78    44    46    39   0.34400  1.0 1.0
   78    44    46    39   0.09450 -1.0 2.0
   78    44    46    39   0.11100  1.0 3.0
   78    44    46    47   0.15000  1.0 3.0
   78    44   -46    48   0.56750  1.0 1.0
   78    44   -46    48  -0.07550 -1.0 2.0
   78    44   -46    48   0.20000  1.0 3.0
   78    54    57    58   0.15000  1.0 3.0
   78    54    57    59   0.15000  1.0 3.0
   78    54   -57    63   0.62750  1.0 1.0
   78    54   -57    63  -0.30950 -1.0 2.0
   78    54   -57    63   0.27300  1.0 3.0
   78    54    60    61   0.00000  1.0 1.0
   78    54    60    64   0.09850  1.0 1.0
   78    54    60    64   0.15250 -1.0 2.0
   78    54    60    64  -0.50650  1.0 3.0
   78    77    80    81   7.00000 -1.0 2.0
   78    77    80    82   7.00000 -1.0 2.0
   80    77    78    44   0.09850  1.0 1.0
   80    77    78    44   0.15250 -1.0 2.0
   80    77    78    44  -0.50650  1.0 3.0
   80    77    78    54   0.09850  1.0 1.0
   80    77    78    54   0.15250 -1.0 2.0
   80    77    78    54  -0.50650  1.0 3.0
   80    77    78    79   0.00000  1.0 1.0
   60    54    57    58   0.15000  1.0 3.0
   60    54    57    59   0.15000  1.0 3.0
   60    54    57    63   0.61850  1.0 1.0
   60    54    57    63  -0.22750 -1.0 2.0
   60    54    57    63   0.15300  1.0 3.0
   60    54    78    44   0.34400  1.0 1.0
   60    54    78    44   0.09450 -1.0 2.0
   60    54    78    44   0.11100  1.0 3.0
   60    54    78    77   0.31000  1.0 1.0
   60    54    78    77   0.14700 -1.0 2.0
   60    54    78    77   0.07550  1.0 3.0
   60    54    78    79   0.15000  1.0 3.0
   61    60    64    65   7.00000 -1.0 2.0
   61    60    64    66   7.00000 -1.0 2.0
   53    48    50    51   0.23400  1.0 3.0
   53    48    50    52   0.23400  1.0 3.0
   53    48    50    54   0.62750  1.0 1.0
   53    48    50    54  -0.30950 -1.0 2.0
   53    48    50    54   0.27300  1.0 3.0
   53    55    62    67  -0.56150  1.0 1.0
   53    55    62    67   2.19150 -1.0 2.0
   53    55    62    70  -0.15000  1.0 1.0
   53    55    62    70   0.89550 -1.0 2.0
   53    55    62    70  -0.06900  1.0 3.0
   55    62    67    68   7.00000 -1.0 2.0
   55    62    67    69   7.00000 -1.0 2.0
   55    62    70    71   0.15000  1.0 3.0
   55    62    70    72   0.15000  1.0 3.0
   55    62    70    75   0.09700  1.0 1.0
   55    62    70    75   0.15600 -1.0 2.0
   55    62    70    75  -0.50800  1.0 3.0
   56    55    62    67   1.00000 -1.0 2.0
   56    55    62    70  -0.64400  1.0 1.0
   56    55    62    70   0.26850 -1.0 2.0
   62    70    75    76  -0.07800  1.0 1.0
   62    70    75    76  -0.21500 -1.0 2.0
   62    70    75    76  -0.03150  1.0 3.0
   67    62    70    71   0.00000  1.0 1.0
   67    62    70    72   0.00000  1.0 1.0
   67    62    70    75   0.67800  1.0 1.0
   67    62    70    75   0.47050 -1.0 2.0
   67    62    70    75  -0.62500  1.0 3.0
   70    62    67    68   7.00000 -1.0 2.0
   70    62    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
   42    40    41    44   2.00000 -1.0 2.0
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    46    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   63    77    73    74  10.50000 -1.0 2.0
   73    78    77    80   1.10000 -1.0 2.0
   81    82    80    77   1.10000 -1.0 2.0
   54    61    60    64  15.00000 -1.0 2.0
   65    66    64    60  15.00000 -1.0 2.0
   53    62    55    56  10.50000 -1.0 2.0
   55    70    62    67  15.00000 -1.0 2.0
   68    69    67    62  15.00000 -1.0 2.0
END
