* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    212     407
    1     0 S   NP   _N1_     1    29.57647    90.81833   -20.81548
    2     1 S   H    _HN1     2     1.02761    92.42784   -62.66248
    3     1 S   H    _H1_     3     1.03256   120.10773    49.59951
    4     1 S   H    _H2_     4     1.02795    17.11019    93.55992
    5     1 S   CT   _CA1     5     1.50124   112.55624  -177.90202
    6     5 S   HC   _HA1     6     1.09565   105.32400    44.14044
    7     5 S   CO3  _C1_     7     1.53884   112.24431   -76.13442
    8     7 S   O2Z  _O11     8     1.26384   115.21507   -48.48805
    9     7 S   O2Z  _O12     9     1.26252   114.85240   130.69879
   10     5 S   CT   _CB1    10     1.52983   107.13686   161.97529
   11    10 S   HC   HB11    11     1.09829   109.43524   -50.17517
   12    10 S   HC   HB12    12     1.09767   110.31462    66.11554
   13    10 S   CT   _CG1    13     1.53036   113.21951  -171.66624
   14    13 S   HC   HG11    14     1.09483   110.38750   -54.29913
   15    13 S   HC   HG12    15     1.09546   110.68836    65.01070
   16    13 S   C    _CD1    16     1.51732   110.02875  -175.64005
   17    16 S   O    _OE1    17     1.22863   122.23311   -41.61728
   18    16 S   N    _N2_    18     1.38389   112.79905   138.29876
   19    18 S   H    _HN2    19     1.01543   119.50544     4.60488
   20    18 S   CT1  _CA2    20     1.46196   123.02040  -172.91385
   21    20 S   HC   _HA2    21     1.09720   109.44726    -8.80384
   22    20 S   C    _C2_    22     1.53296   108.66762  -124.89663
   23    22 S   O    _O2_    23     1.23017   122.23139  -145.17425
   24    20 S   CT   _CB2    32     1.53511   111.13792   112.68637
   25    24 S   HC   HB21    33     1.09611   109.60652    59.81611
   26    24 S   HC   HB22    34     1.09492   110.30978   178.70457
   27    22 S   N    _N3_    24     1.38508   113.39594    42.15324
   28    27 S   H    _HN3    25     1.01525   118.93028    -0.45842
   29    24 S   S    _SG2    35     1.82941   111.88430   -60.61312
   30    27 S   CT   _CA3    26     1.45436   123.32435   175.24021
   31    30 S   HC   HA31    27     1.09533   109.07978    27.32331
   32    30 S   HC   HA32    28     1.09492   107.15930   144.28818
   33    29 S   CT   _C12    36     1.84496    99.59096   173.63588
   34    33 S   HC   _H3_    37     1.09943   106.02666   -22.53273
   35    30 S   CO3  _C3_    29     1.52931   113.23397   -96.05344
   36    35 S   O2Z  _O31    30     1.26392   115.45354   -43.91438
   37    35 S   O2Z  _O32    31     1.26365   114.95480   137.04634
   38    33 S   CT   _C13    38     1.53046   108.72370    91.12694
   39    38 S   HC   _H8_    39     1.09813   111.38057    60.86105
   40    38 S   HC   _H9_    40     1.10195   107.65755   -54.90533
   41    38 S   CMA  _C14    41     1.52690   112.10055  -175.92086
   42    41 S   OM   _O34    42     1.26451   110.19596   150.47758
   43    41 S   CM   _C15    43     1.35400   118.88056   -30.15834
   44    43 S   CO4  _C16    44     1.49916   122.70305    -3.98231
   45    44 S   O    _O35    45     1.23523   118.82216  -166.11409
   46    43 S   CO4  _C17    73     1.49817   118.27486  -178.02910
   47    46 S   O    _O36    74     1.23030   120.53511   115.00591
   48    33 S   CT   _C11    46     1.56246   114.47731  -140.31753
   49    46 S   CT   _C18    75     1.50744   117.96087   -66.81672
   50    49 S   HC   _H10    76     1.09276   109.54982   110.07294
   51    49 S   HC   _H11    77     1.09357   111.26531   -11.05348
   52    49 S   HC   _H12    78     1.09372   108.91845  -129.73611
   53    48 S   CA   _C9_    47     1.56664   114.90489   -44.98137
   54    48 S   CT   _C19    69     1.56451   106.49492    81.76174
   55    54 S   HC   _H13    70     1.09856   111.05626    69.05740
   56    54 S   HC   _H14    71     1.09443   112.85921   -49.31262
   57    54 S   HC   _H15    72     1.09679   111.78428  -172.04658
   58    53 S   CA   _C8_    48     1.41709   122.87168    95.81875
   59    58 S   CA   _C7_    49     1.40611   121.32014   176.14700
   60    58 S   OH   _O37    67     1.36958   119.28086    -3.86766
   61    60 S   HO   _H16    68     0.97368   112.19062  -179.94405
   62    59 S   CA   _C6_    50     1.39587   120.96076     2.85917
   63    59 S   CO4  _C20    61     1.47685   120.70158  -177.14817
   64    63 S   O    _O38    62     1.22627   119.58354   -71.87530
   65    62 S   CA   _C5_    51     1.39746   120.21194     1.58955
   66    62 S   OH   _O39    59     1.37057   117.76808  -179.33500
   67    66 S   HO   _H20    60     0.97044   109.92367   164.01618
   68    63 S   CT   _C21    63     1.50424   117.49210   107.77789
   69    68 S   HC   _H17    64     1.09290   109.33179   114.04361
   70    68 S   HC   _H18    65     1.09363   111.33753    -6.43102
   71    68 S   HC   _H19    66     1.09341   108.98470  -125.64817
   72    53 S   CA   _C10    52     1.42346   121.43825   -84.39941
   73    65 S   CT   _C4_    55     1.50755   120.88771   176.00551
   74    73 S   HC   _H4_    56     1.09399   110.06107    88.49687
   75    73 S   HC   _H5_    57     1.09485   111.69823  -150.03774
   76    73 S   HC   _H6_    58     1.09483   111.52631   -32.90934
   77    72 S   OH   _O33    53     1.37250   118.33771     0.65611
   78    77 S   HO   _H7_    54     0.97069   109.95286  -150.74422
  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  10   5   4   3
  17   8   2   1   1  10   5   4   8   3  11  12   4   6   4  11
   3   2   1   1  15   5   2   1   1  11  14   4   1  12   7   4
   9   3   1   3   2   1   1   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    48    53    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    48    53    58    72    54    55    56    57  
   38    39    40    41    44    48    53    54  
   36    37  
   37  
    0  
   39    40    41    42    43    44    48    53    54    46  
   40    41    42    43    48  
   41    42    43    48  
   42    43    44    45    48    46    47    49  
   43    44    46  
   44    45    48    53    54    46    47    49    50    51    52  
   45    48    53    58    72    54    55    56    57    46    47    49  
   48    53    54    46  
   47    49    50    51    52    48  
   49    50    51    52  
   53    58    59    65    72    77    60    54    55    56    57  
   50    51    52  
   51    52  
   52  
    0  
   58    59    62    65    72    77    78    73    63    60    61    54    55    56    57  
   55    56    57    58    72  
   56    57  
   57  
    0  
   59    62    65    72    77    66    63    64    68    60    61  
   62    65    72    73    66    67    63    64    68    69    70    71    60    61  
   61    62    63    72  
    0  
   65    72    77    73    74    75    76    66    67    63    64    68  
   64    68    69    70    71    65    66  
   68    69    70    71  
   72    77    78    73    74    75    76    66    67  
   67    72    73  
    0  
   69    70    71  
   70    71  
   71  
    0  
   77    78    73    74    75    76  
   74    75    76    77  
   75    76  
   76  
    0  
   78  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   270.000  1.512
   41    42   745.000  1.250
   41    43   465.000  1.376
   43    44   320.000  1.462
   43    46   320.000  1.462
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    53   317.000  1.510
   48    54   268.000  1.529
   53    58   469.000  1.400
   53    72   469.000  1.400
   58    59   469.000  1.400
   58    60   450.000  1.364
   59    62   469.000  1.400
   59    63   310.000  1.470
   62    65   469.000  1.400
   62    66   450.000  1.364
   65    72   469.000  1.400
   65    73   317.000  1.510
   72    77   450.000  1.364
   77    78   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    67   553.000  0.945
   63    64   570.000  1.229
   63    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   60    61   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.02700
   33    48    44    63.00000  111.10000
   33    48    53    70.00000  112.17500
   33    48    54    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    85.00000  112.85300
   38    41    43    65.00000  122.18000
   40    38    39    33.00000  107.80000
   41    38    39    45.00000  110.52000
   41    38    40    45.00000  110.52000
   41    43    44    60.00000  125.92000
   41    43    46    60.00000  125.92000
   43    41    42    65.00000  137.10300
   43    44    45    80.00000  123.72100
   43    44    48    65.00000  118.62400
   43    46    47    80.00000  123.72100
   43    46    49    65.00000  118.62400
   44    48    53    70.00000  110.93000
   44    48    54    63.00000  111.10000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    44    45    80.00000  120.40000
   48    53    58    70.00000  120.00000
   48    53    72    70.00000  120.00000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   53    58    59    63.00000  120.00000
   53    58    60    70.00000  120.00000
   53    72    65    63.00000  120.00000
   53    72    77    70.00000  120.00000
   58    59    62    63.00000  120.00000
   58    59    63    60.00000  119.52600
   58    60    61    35.00000  113.00000
   59    62    65    63.00000  120.00000
   59    62    66    70.00000  120.00000
   59    63    64    75.00000  123.78400
   59    63    68    65.00000  115.47100
   62    65    72    63.00000  120.00000
   62    65    73    70.00000  120.00000
   62    66    67    35.00000  113.00000
   65    72    77    70.00000  120.00000
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    35.00000  109.50000
   72    53    58    63.00000  120.00000
   72    77    78    35.00000  113.00000
   73    65    72    70.00000  120.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    62    65    70.00000  120.00000
   63    59    62    60.00000  119.52600
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   68    63    64    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   60    58    59    70.00000  120.00000
   54    48    53    70.00000  112.17500
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   46    43    44    65.00000  115.30000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   49    46    47    80.00000  120.40000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    53   0.56750  1.0 1.0
   29    33    48    53  -0.07550 -1.0 2.0
   29    33    48    53   0.20000  1.0 3.0
   29    33    48    54   0.44750  1.0 1.0
   29    33    48    54  -0.17800 -1.0 2.0
   29    33    48    54   0.20200  1.0 3.0
   33    38    41    42   0.09700  1.0 1.0
   33    38    41    42   0.15600 -1.0 2.0
   33    38    41    42  -0.50800  1.0 3.0
   33    38    41    43   0.09850  1.0 1.0
   33    38    41    43   0.15250 -1.0 2.0
   33    38    41    43  -0.50650  1.0 3.0
   33    48    53    58   0.04150 -1.0 2.0
   33    48    53    72   0.04150 -1.0 2.0
   33    48    54    55   0.15000  1.0 3.0
   33    48    54    56   0.15000  1.0 3.0
   33    48    54    57   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    48    44  -0.11250  1.0 3.0
   34    33    48    53   0.43200  1.0 3.0
   34    33    48    54   0.15000  1.0 3.0
   38    33    48    44  -0.95700  1.0 1.0
   38    33    48    44  -0.18200 -1.0 2.0
   38    33    48    44   0.29450  1.0 3.0
   38    33    48    53  -0.03700  1.0 1.0
   38    33    48    53   0.37200 -1.0 2.0
   38    33    48    53  -0.47300  1.0 3.0
   38    33    48    54   0.56750  1.0 1.0
   38    33    48    54  -0.07550 -1.0 2.0
   38    33    48    54   0.20000  1.0 3.0
   38    41   -43    44   7.00000 -1.0 2.0
   38    41    43    46   7.00000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45   1.00000 -1.0 2.0
   41    43    44    48  -0.33500  1.0 1.0
   41    43    44    48   1.06600 -1.0 2.0
   41    43    44    48  -0.14000  1.0 3.0
   41    43    46    47   1.00000 -1.0 2.0
   41    43    46    49  -0.33500  1.0 1.0
   41    43    46    49   1.06600 -1.0 2.0
   41    43    46    49  -0.14000  1.0 3.0
   42    41    43    44   7.00000 -1.0 2.0
   42    41    43    46   7.00000 -1.0 2.0
   43    44   -48    33   0.65300  1.0 1.0
   43    44   -48    33  -0.03850 -1.0 2.0
   43    44   -48    33   0.33900  1.0 3.0
   43    44    48    53   0.65300  1.0 1.0
   43    44    48    53  -0.03850 -1.0 2.0
   43    44    48    53   0.33900  1.0 3.0
   43    44    48    54   0.65300  1.0 1.0
   43    44    48    54  -0.03850 -1.0 2.0
   43    44    48    54   0.33900  1.0 3.0
   43    46    49    50   0.00000  1.0 1.0
   43    46    49    51   0.00000  1.0 1.0
   43    46    49    52   0.00000  1.0 1.0
   44    43    46    47   2.50000 -1.0 2.0
   44    43    46    49   1.50000 -1.0 2.0
   44    48    53    58   0.04300 -1.0 2.0
   44    48    53    72   0.04300 -1.0 2.0
   44    48    54    55  -0.11250  1.0 3.0
   44    48    54    56  -0.11250  1.0 3.0
   44    48    54    57  -0.11250  1.0 3.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    53   0.30150 -1.0 2.0
   45    44    48    54   0.30150 -1.0 2.0
   48    33    38    39   0.15000  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41   0.34400  1.0 1.0
   48    33   -38    41   0.09450 -1.0 2.0
   48    33   -38    41   0.11100  1.0 3.0
   48    53    58    59   3.62500 -1.0 2.0
   48    53    58    60   3.62500 -1.0 2.0
   48    53    72    65   3.62500 -1.0 2.0
   48    53    72    77   3.62500 -1.0 2.0
   53    48    54    55   0.43200  1.0 3.0
   53    48    54    56   0.43200  1.0 3.0
   53    48    54    57   0.43200  1.0 3.0
   53    58    59    62   3.62500 -1.0 2.0
   53    58    59    63   3.62500 -1.0 2.0
   53    58    60    61   0.84100 -1.0 2.0
   53    72    77    78   0.84100 -1.0 2.0
   58    53    72    65   3.62500 -1.0 2.0
   58    53    72    77   3.62500 -1.0 2.0
   58    59   -62    65   3.62500 -1.0 2.0
   58    59    62    66   3.62500 -1.0 2.0
   58    59    63    64   1.05000 -1.0 2.0
   58    59    63    68   2.26350  1.0 1.0
   58    59    63    68   0.76750 -1.0 2.0
   58    59    63    68   0.22500  1.0 3.0
   59    58    60    61   0.84100 -1.0 2.0
   59    62    65    72   3.62500 -1.0 2.0
   59    62    65    73   3.62500 -1.0 2.0
   59    62    66    67   0.84100 -1.0 2.0
   59    63    68    69   0.00000  1.0 1.0
   59    63    68    70   0.00000  1.0 1.0
   59    63    68    71   0.00000  1.0 1.0
   62    59    63    64   1.05000 -1.0 2.0
   62    59    63    68   2.26350  1.0 1.0
   62    59    63    68   0.76750 -1.0 2.0
   62    59    63    68   0.22500  1.0 3.0
   62    65   -72    53   3.62500 -1.0 2.0
   62    65    72    77   3.62500 -1.0 2.0
   62    65    73    74   0.00000  1.0 1.0
   62    65    73    75   0.00000  1.0 1.0
   62    65    73    76   0.00000  1.0 1.0
   65    62    66    67   0.84100 -1.0 2.0
   65    72    77    78   0.84100 -1.0 2.0
   72    53   -58    59   3.62500 -1.0 2.0
   72    53    58    60   3.62500 -1.0 2.0
   72    65    73    74   0.00000  1.0 1.0
   72    65    73    75   0.00000  1.0 1.0
   72    65    73    76   0.00000  1.0 1.0
   73    65    72    53   3.62500 -1.0 2.0
   73    65    72    77   3.62500 -1.0 2.0
   66    62    65    72   3.62500 -1.0 2.0
   66    62    65    73   3.62500 -1.0 2.0
   63    59    62    65   3.62500 -1.0 2.0
   63    59    62    66   3.62500 -1.0 2.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   64    63    68    71   0.00000  1.0 1.0
   60    58    59    62   3.62500 -1.0 2.0
   60    58    59    63   3.62500 -1.0 2.0
   54    48    53    58   0.04150 -1.0 2.0
   54    48    53    72   0.04150 -1.0 2.0
   46    43    44    45   2.50000 -1.0 2.0
   46    43    44    48   1.50000 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    52   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    42    41    43   1.10000 -1.0 2.0
   44    46    43    41   1.10000 -1.0 2.0
   43    48    44    45  10.50000 -1.0 2.0
   58    72    53    48   4.00000 -1.0 2.0
   59    60    58    53   4.00000 -1.0 2.0
   62    63    59    58   4.00000 -1.0 2.0
   65    66    62    59   4.00000 -1.0 2.0
   72    73    65    62   4.00000 -1.0 2.0
   65    77    72    53   4.00000 -1.0 2.0
   59    68    63    64  10.50000 -1.0 2.0
   43    49    46    47  10.50000 -1.0 2.0
END
