* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    143    219     425
    1     0 S   NP   _N1_     1    32.60075   100.91792   -20.17558
    2     1 S   H    _HN1     2     1.02808    18.87739   131.46570
    3     1 S   H    _H1_     3     1.02785   123.13081   168.71292
    4     1 S   H    _H2_     4     1.03413    92.57407   -79.15172
    5     1 S   CT   _CA1     5     1.49975   110.34998    34.65833
    6     5 S   HC   _HA1     6     1.09260   104.71921  -156.37406
    7     5 S   CO3  _C1_     7     1.54172   112.43530    83.12225
    8     7 S   O2Z  _O11     8     1.26414   115.04488   -42.88447
    9     7 S   O2Z  _O12     9     1.26323   115.28701   136.06645
   10     5 S   CT   _CB1    10     1.53304   107.60085   -38.05586
   11    10 S   HC   HB11    11     1.09767   110.27077   -38.66651
   12    10 S   HC   HB12    12     1.09779   109.38681    78.01396
   13    10 S   CT   _CG1    13     1.53052   112.93533  -161.44647
   14    13 S   HC   HG11    14     1.09684   109.47605  -152.31677
   15    13 S   HC   HG12    15     1.09259   111.96179   -34.09619
   16    13 S   C    _CD1    16     1.51449   111.38075    90.15319
   17    16 S   O    _OE1    17     1.22936   121.35168    78.88050
   18    16 S   N    _N2_    18     1.38302   113.65111   -99.93057
   19    18 S   H    _HN2    19     1.01739   119.55444     1.79471
   20    18 S   CT1  _CA2    20     1.46223   123.06212  -179.06665
   21    20 S   HC   _HA2    21     1.09742   108.86680     6.87421
   22    20 S   C    _C2_    22     1.53500   109.13132  -108.71608
   23    22 S   O    _O2_    23     1.23089   122.11077  -148.31224
   24    20 S   CT   _CB2    32     1.53662   112.45482   128.01794
   25    24 S   HC   HB21    33     1.09224   111.09225    70.15731
   26    24 S   HC   HB22    34     1.09609   109.44304  -173.19473
   27    22 S   N    _N3_    24     1.38364   113.92722    39.21404
   28    27 S   H    _HN3    25     1.01521   119.53656    -2.35019
   29    24 S   S    _SG2    35     1.82794   112.21951   -54.54382
   30    27 S   CT   _CA3    26     1.45287   123.03177   177.54856
   31    30 S   HC   HA31    27     1.09546   107.55112   -64.26291
   32    30 S   HC   HA32    28     1.09571   107.85458    52.09260
   33    29 S   CT   _C8_    36     1.85898   101.15547   129.51349
   34    33 S   HC   _H5_    37     1.09563   106.48598    43.12920
   35    30 S   CO3  _C3_    29     1.52897   114.31356   174.19191
   36    35 S   O2Z  _O31    30     1.26438   116.22301     3.82316
   37    35 S   O2Z  _O32    31     1.26395   114.53608  -175.87616
   38    33 S   CT   _C7_    38     1.54612   113.53374   -78.06070
   39    38 S   HC   _H4_    39     1.10043   107.70744   176.59561
   40    38 S   CT   _C6_    40     1.54077   111.76865   -66.58149
   41    40 S   HC   _H3_    41     1.09633   110.27576    70.07574
   42    38 S   OS   _O37    62     1.43042   110.52489    57.31484
   43    40 S   CO   _C10    42     1.54446   109.83027   -51.20721
   44    43 S   HC   _H7_    43     1.09768   110.42360   -70.98066
   45    40 S   N    _N4_    54     1.46936   109.62115  -172.57350
   46    45 S   H    _H14    55     1.01528   117.78297    34.33797
   47    42 S   CO   _C12    63     1.43792   113.78005   106.74152
   48    47 S   HC   _H8_    64     1.09878   106.85581    70.65847
   49    43 S   OS   _O34    44     1.42672   111.98903    50.79045
   50    43 S   OH   _O35    52     1.42499   108.99618   170.97339
   51    50 S   HO   _H15    53     0.97164   106.74199   158.57036
   52    45 S   C    _C5_    56     1.38361   123.46233  -149.03991
   53    52 S   O    _O33    57     1.22800   125.65921    -0.39860
   54    47 S   CT   _C13    65     1.53375   108.14858  -170.09105
   55    54 S   HC   _H9_    66     1.09670   110.02361    62.60207
   56    33 S   CT   _C9_    45     1.54306   110.43227   161.47632
   57    56 S   HC   _H6_    46     1.09909   109.44892  -178.20725
   58    52 S   CT   _C4_    58     1.50527   112.69067  -178.95208
   59    58 S   HC   _H11    59     1.09318   109.16027    87.52308
   60    58 S   HC   _H12    60     1.09362   109.39463  -152.71052
   61    58 S   HC   _H13    61     1.09372   111.13621   -33.09711
   62    54 S   CT   _C14    67     1.53103   109.66977  -176.42357
   63    62 S   HC   _H10    68     1.09629   110.45974    82.83934
   64    54 S   OH   _O42    78     1.42337   111.53977   -54.93685
   65    64 S   HO   _H21    79     0.97488   109.07420   -42.62815
   66    56 S   CT   _C11    47     1.53072   114.09184   -57.55454
   67    66 S   HC   _H16    48     1.09408   111.99037    76.15110
   68    66 S   HC   _H17    49     1.09430   111.07247   -47.17075
   69    62 S   CM   _C15    69     1.49753   111.42733   -39.22546
   70    69 S   HC   _H19    70     1.08635   117.17706  -170.33700
   71    62 S   OH   _O41    76     1.42646   108.58003  -159.99254
   72    71 S   HO   _H20    77     0.97226   107.73664  -179.56165
   73    66 S   OH   _O36    50     1.42668   108.80016  -165.64836
   74    73 S   HO   _H18    51     0.97241   106.96963  -179.08785
   75    69 S   CM   _C16    71     1.34259   122.18225     9.11891
   76    47 S   OS   _O38    72     1.43583   112.06567   -49.23879
   77    75 S   CO3  _C17    73     1.54938   121.31348  -177.84305
   78    77 S   O2Z  _O40    74     1.26444   116.31239     7.37544
   79    77 S   O2Z  _O39    75     1.26642   114.90732  -172.54086
  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
  16   8   2   1   1  18   7  14   8  11  10   5   9   3  12   6
   8   2   1   5   4  11   7   6   4   3   2   1   1  10   6   4
   1   4   3   2   8   4   2   1   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    56    57    66    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    56    57    66    67    68    73    45    42    47  
   38    39    40    49    56    57    66    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    56    57    66    50    45    46    52    42    47    48    54    76  
   40    41    43    56    45    42    47  
   41    43    44    49    56    50    51    45    46    52    53    58    42    47  
   43    44    49    50    45    46    52    42  
   47    48    54    55    62    75    76    64    43    45    56  
   44    49    56    57    66    50    51    45    46    52  
   49    56    50    51    45  
   46    52    53    58    59    60    61    49    50  
   52    53    58  
   48    54    55    62    63    69    75    76    77    71    64    65  
   54    55    62    75    76    64  
   56    57    66    67    68    73    50    51  
   51    56  
    0  
   53    58    59    60    61  
   58    59    60    61  
   55    62    63    69    70    75    76    71    72    64    65  
   62    63    69    76    71    64    65  
   57    66    67    68    73    74  
   66    67    68    73  
   59    60    61  
   60    61  
   61  
    0  
   63    69    70    75    76    77    71    72    64    65  
   69    70    75    71    72    64  
   65    69    71    76  
    0  
   67    68    73    74  
   68    73    74  
   73    74  
   70    75    76    77    78    79    71    72  
   75    76    77    71  
   72    75  
    0  
   74  
    0  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   76   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    56   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   250.000  1.527
   40    45   337.000  1.449
   43    44   340.000  1.090
   43    49   320.000  1.380
   43    50   380.000  1.407
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   320.000  1.410
   73    74   553.000  0.945
   50    51   553.000  0.945
   45    46   434.000  1.010
   45    52   490.000  1.335
   52    53   570.000  1.229
   52    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    54   250.000  1.527
   47    76   320.000  1.380
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    64   320.000  1.410
   62    63   340.000  1.090
   62    69   317.000  1.510
   62    71   320.000  1.410
   69    70   340.000  1.080
   69    75   549.000  1.340
   75    76   440.000  1.360
   75    77   230.000  1.545
   77    78   656.000  1.250
   77    79   656.000  1.250
   71    72   553.000  0.945
   64    65   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    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    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    56    49    50.00000  109.50000
   33    56    57    37.50000  110.70000
   33    56    66    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    75.00000  109.43000
   38    40    45    70.00000  110.72300
   38    42    47    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    45.00000  112.01100
   40    43    49    90.00000  108.56700
   40    43    50    90.00000  110.19100
   40    45    46    38.00000  118.40000
   40    45    52    50.00000  121.90000
   43    40    41    45.00000  108.72000
   43    49    56    60.00000  109.50000
   43    50    51    70.00000  107.92000
   49    43    44    35.00000  109.50000
   49    56    57    35.00000  109.50000
   49    56    66    50.00000  109.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    73    50.00000  109.50000
   66    56    57    37.50000  110.70000
   66    73    74    55.00000  108.50000
   68    66    67    33.00000  107.80000
   73    66    67    35.00000  109.50000
   73    66    68    35.00000  109.50000
   50    43    44    60.00000  108.02500
   50    43    49   110.00000  112.08000
   45    40    41    35.00000  109.50000
   45    40    43    70.00000  110.72300
   45    52    53    80.00000  122.90000
   45    52    58    70.00000  116.60000
   52    45    46    35.00000  119.80000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   58    52    53    80.00000  120.40000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    54    90.00000  108.56700
   42    47    76    92.60000  111.55000
   47    54    55    45.00000  108.72000
   47    54    62    75.00000  109.43000
   47    54    64    90.00000  111.58700
   47    76    75    85.00000  113.97000
   54    47    48    45.00000  112.01100
   54    62    63    37.50000  110.70000
   54    62    69    70.00000  112.02700
   54    62    71    50.00000  109.50000
   54    64    65    55.00000  108.50000
   62    54    55    37.50000  110.70000
   62    69    70    35.00000  117.00000
   62    69    75    70.00000  124.00000
   62    71    72    55.00000  108.50000
   69    62    63    35.00000  109.50000
   69    75    76    80.00000  120.01400
   69    75    77    55.00000  124.75400
   75    69    70    35.00000  120.00000
   75    77    78    85.00000  113.83300
   75    77    79    85.00000  113.83300
   76    47    48    35.00000  109.50000
   76    47    54    90.00000  108.56700
   77    75    76    80.00000  119.00000
   79    77    78    80.00000  126.00000
   71    62    63    35.00000  109.50000
   71    62    69    90.00000  110.39200
   64    54    55    35.00000  109.50000
   64    54    62    50.00000  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    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    56    49   0.56750  1.0 1.0
   29    33    56    49  -0.07550 -1.0 2.0
   29    33    56    49   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    66   0.44750  1.0 1.0
   29    33    56    66  -0.17800 -1.0 2.0
   29    33    56    66   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   3.97050  1.0 1.0
   33    38    40    45  -0.27100  1.0 1.0
   33    38    40    45  -0.01700 -1.0 2.0
   33    38    40    45  -0.48600  1.0 3.0
   33    38    42    47   0.06250  1.0 1.0
   33    38    42    47  -0.01100 -1.0 2.0
   33    38    42    47   0.28050  1.0 3.0
   33    56    66    67   0.15000  1.0 3.0
   33    56    66    68   0.15000  1.0 3.0
   33    56    66    73   0.86500  1.0 1.0
   33    56    66    73  -0.17500 -1.0 2.0
   33    56    66    73   0.20800  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    42   0.23400  1.0 3.0
   34    33    56    49   0.23400  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    66   0.15000  1.0 3.0
   38    33    56    49   0.62750  1.0 1.0
   38    33    56    49  -0.30950 -1.0 2.0
   38    33    56    49   0.27300  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    66   0.56750  1.0 1.0
   38    33    56    66  -0.07550 -1.0 2.0
   38    33    56    66   0.20000  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.62750  1.0 1.0
   38    40   -43    49  -0.30950 -1.0 2.0
   38    40   -43    49   0.27300  1.0 3.0
   38    40    43    50   0.86500  1.0 1.0
   38    40    43    50  -0.17500 -1.0 2.0
   38    40    43    50   0.20800  1.0 3.0
   38    40    45    46   0.00000  1.0 1.0
   38    40    45    52  -0.43950  1.0 1.0
   38    40    45    52  -0.08100 -1.0 2.0
   38    40    45    52   0.03350  1.0 3.0
   38    42    47    48   0.37050  1.0 3.0
   38    42    47    54   0.06250  1.0 1.0
   38    42    47    54  -0.01100 -1.0 2.0
   38    42    47    54   0.28050  1.0 3.0
   38    42    47    76  -0.53350  1.0 1.0
   38    42    47    76  -0.78350 -1.0 2.0
   38    42    47    76   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    47   0.37050  1.0 3.0
   40    38    42    47   0.06250  1.0 1.0
   40    38    42    47  -0.01100 -1.0 2.0
   40    38    42    47   0.28050  1.0 3.0
   40    43    49    56   0.06250  1.0 1.0
   40    43    49    56  -0.01100 -1.0 2.0
   40    43    49    56   0.28050  1.0 3.0
   40    43    50    51  -0.11600  1.0 1.0
   40    43    50    51  -0.09450 -1.0 2.0
   40    43    50    51   0.21250  1.0 3.0
   40    45    52    53   3.04450 -1.0 2.0
   40    45    52    58   1.49850  1.0 1.0
   40    45    52    58   1.53950 -1.0 2.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.23400  1.0 3.0
   41    40    43    50   0.23400  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    52   0.00000  1.0 1.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    52  -0.43950  1.0 1.0
   43    40    45    52  -0.08100 -1.0 2.0
   43    40    45    52   0.03350  1.0 3.0
   43    49   -56    33   0.06250  1.0 1.0
   43    49   -56    33  -0.01100 -1.0 2.0
   43    49   -56    33   0.28050  1.0 3.0
   43    49    56    57   0.37050  1.0 3.0
   43    49    56    66   0.06250  1.0 1.0
   43    49    56    66  -0.01100 -1.0 2.0
   43    49    56    66   0.28050  1.0 3.0
   44    43    49    56   0.37050  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   49    43    50    51  -0.50000  1.0 1.0
   49    43    50    51  -0.73950 -1.0 2.0
   49    43    50    51   0.17150  1.0 3.0
   49    56    66    67   0.23400  1.0 3.0
   49    56    66    68   0.23400  1.0 3.0
   49    56    66    73   3.69350  1.0 1.0
   49    56    66    73  -1.82950 -1.0 2.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    42   0.62750  1.0 1.0
   56    33    38    42  -0.30950 -1.0 2.0
   56    33    38    42   0.27300  1.0 3.0
   56    66    73    74  -0.11600  1.0 1.0
   56    66    73    74  -0.09450 -1.0 2.0
   56    66    73    74   0.21250  1.0 3.0
   57    56    66    67   0.15000  1.0 3.0
   57    56    66    68   0.15000  1.0 3.0
   57    56    66    73   0.23400  1.0 3.0
   67    66    73    74   0.19450  1.0 3.0
   68    66    73    74   0.19450  1.0 3.0
   50    43    49    56  -0.81800  1.0 1.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    49   1.12100  1.0 1.0
   45    40    43    49  -0.16500 -1.0 2.0
   45    40    43    50   2.76900  1.0 1.0
   45    40    43    50  -0.24350 -1.0 2.0
   45    40    43    50  -0.78250  1.0 3.0
   45    52    58    59   0.00000  1.0 1.0
   45    52    58    60   0.00000  1.0 1.0
   45    52    58    61   0.00000  1.0 1.0
   46    45    52    53   2.45000 -1.0 2.0
   46    45    52    58   2.45000 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    61   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.12100  1.0 1.0
   42    38    40    45  -0.16500 -1.0 2.0
   42    47    54    55   0.23400  1.0 3.0
   42    47    54    62   0.62750  1.0 1.0
   42    47    54    62  -0.30950 -1.0 2.0
   42    47    54    62   0.27300  1.0 3.0
   42    47    54    64   3.69350  1.0 1.0
   42    47    54    64  -1.82950 -1.0 2.0
   42    47    76    75  -0.48150  1.0 1.0
   42    47    76    75   0.09250 -1.0 2.0
   42    47    76    75  -0.12850  1.0 3.0
   47    54    62    63   0.15000  1.0 3.0
   47    54    62    69   0.34400  1.0 1.0
   47    54    62    69   0.09450 -1.0 2.0
   47    54    62    69   0.11100  1.0 3.0
   47    54    62    71   0.86500  1.0 1.0
   47    54    62    71  -0.17500 -1.0 2.0
   47    54    62    71   0.20800  1.0 3.0
   47    54    64    65  -0.11600  1.0 1.0
   47    54    64    65  -0.09450 -1.0 2.0
   47    54    64    65   0.21250  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    62   0.15000  1.0 3.0
   48    47    54    64   0.23400  1.0 3.0
   48    47    76    75   0.08050  1.0 3.0
   54    47    76    75  -0.46850  1.0 1.0
   54    47    76    75   0.09300 -1.0 2.0
   54    47    76    75  -0.12850  1.0 3.0
   54    62    69    70   0.00000  1.0 1.0
   54    62   -69    75   0.09850  1.0 1.0
   54    62   -69    75   0.15250 -1.0 2.0
   54    62   -69    75  -0.50650  1.0 3.0
   54    62    71    72  -0.11600  1.0 1.0
   54    62    71    72  -0.09450 -1.0 2.0
   54    62    71    72   0.21250  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    69   0.15000  1.0 3.0
   55    54    62    71   0.23400  1.0 3.0
   55    54    64    65   0.19450  1.0 3.0
   62    54    64    65  -0.11600  1.0 1.0
   62    54    64    65  -0.09450 -1.0 2.0
   62    54    64    65   0.21250  1.0 3.0
   62    69    75    76   7.00000 -1.0 2.0
   62    69    75    77   7.00000 -1.0 2.0
   63    62    69    70   0.33100  1.0 3.0
   63    62    69    75   0.00000  1.0 1.0
   63    62    71    72   0.19450  1.0 3.0
   69    62    71    72  -0.07800  1.0 1.0
   69    62    71    72  -0.21500 -1.0 2.0
   69    62    71    72  -0.03150  1.0 3.0
   69    75   -76    47  -2.26850  1.0 1.0
   69    75   -76    47   3.39050 -1.0 2.0
   69    75    77    78  -0.04000 -1.0 2.0
   69    75    77    78  -0.29050  1.0 3.0
   69    75    77    79  -0.04000 -1.0 2.0
   69    75    77    79  -0.29050  1.0 3.0
   70    69    75    76   7.00000 -1.0 2.0
   70    69    75    77   7.00000 -1.0 2.0
   76    47    54    55   0.23400  1.0 3.0
   76    47   -54    62   0.62750  1.0 1.0
   76    47   -54    62  -0.30950 -1.0 2.0
   76    47   -54    62   0.27300  1.0 3.0
   76    47    54    64   3.69350  1.0 1.0
   76    47    54    64  -1.82950 -1.0 2.0
   76    75    77    78  -0.11900  1.0 1.0
   76    75    77    78   0.76850 -1.0 2.0
   76    75    77    78   0.14100  1.0 3.0
   76    75    77    79  -0.11900  1.0 1.0
   76    75    77    79   0.76850 -1.0 2.0
   76    75    77    79   0.14100  1.0 3.0
   77    75    76    47   0.15100 -1.0 2.0
   71    62    69    70   0.00000  1.0 1.0
   71    62    69    75   0.67800  1.0 1.0
   71    62    69    75   0.47050 -1.0 2.0
   71    62    69    75  -0.62500  1.0 3.0
   64    54    62    63   0.23400  1.0 3.0
   64    54    62    69   1.05650  1.0 1.0
   64    54    62    69   0.15600 -1.0 2.0
   64    54    62    69   0.53150  1.0 3.0
   64    54    62    71   3.75450  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
   46    52    45    40   1.00000 -1.0 2.0
   45    58    52    53  10.50000 -1.0 2.0
   62    70    69    75   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   78    75    77    79  10.50000 -1.0 2.0
END
