* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    153    241     447
    1     0 S   NP   _N1_     1    29.10957    96.81151   -20.76339
    2     1 S   H    _HN1     2     1.02830    46.12748   155.92658
    3     1 S   H    _H1_     3     1.02797    95.98166   -94.96904
    4     1 S   H    _H2_     4     1.02939    69.01188    12.47059
    5     1 S   CT   _CA1     5     1.50095   149.43985   107.46259
    6     5 S   HC   _HA1     6     1.09565   105.16375    94.44282
    7     5 S   CO3  _C1_     7     1.53640   112.80339   -25.81585
    8     7 S   O2Z  _O11     8     1.26394   115.00676   -35.75198
    9     7 S   O2Z  _O12     9     1.26294   115.06493   143.70970
   10     5 S   CT   _CB1    10     1.53044   107.47160  -147.35922
   11    10 S   HC   HB11    11     1.09837   109.25148   -48.43704
   12    10 S   HC   HB12    12     1.09804   110.50658    68.17283
   13    10 S   CT   _CG1    13     1.53004   112.66182  -169.37603
   14    13 S   HC   HG11    14     1.09523   110.85411   -69.93870
   15    13 S   HC   HG12    15     1.09671   109.66374    49.33424
   16    13 S   C    _CD1    16     1.51710   111.89716   169.78633
   17    16 S   O    _OE1    17     1.22734   123.11334    15.51745
   18    16 S   N    _N2_    18     1.38614   111.76515  -164.71511
   19    18 S   H    _HN2    19     1.01559   119.08157     0.45970
   20    18 S   CT1  _CA2    20     1.46204   123.25791   175.50625
   21    20 S   HC   _HA2    21     1.09744   109.37551    -1.04568
   22    20 S   C    _C2_    22     1.53518   108.33677  -116.30070
   23    22 S   O    _O2_    23     1.23030   122.39902  -147.97718
   24    20 S   CT   _CB2    32     1.53130   111.61242   121.11025
   25    24 S   HC   HB21    33     1.09526   110.25577    57.79266
   26    24 S   HC   HB22    34     1.09529   110.40892   175.94856
   27    22 S   N    _N3_    24     1.38368   113.52586    39.44229
   28    27 S   H    _HN3    25     1.01595   119.49170    -3.21711
   29    24 S   S    _SG2    35     1.82815   111.09350   -65.56651
   30    27 S   CT   _CA3    26     1.45274   123.31955   177.22173
   31    30 S   HC   HA31    27     1.09546   107.50644   -64.94830
   32    30 S   HC   HA32    28     1.09553   108.00921    51.51924
   33    29 S   CT   _C20    36     1.84795   100.37542   122.73585
   34    33 S   HC   _H5_    37     1.09573   106.87968   -40.83075
   35    30 S   CO3  _C3_    29     1.52978   114.00176   173.51013
   36    35 S   O2Z  _O31    30     1.26390   116.04920    -0.87268
   37    35 S   O2Z  _O32    31     1.26419   114.43077   179.18771
   38    33 S   CM   _C19    38     1.51487   106.66908    75.78597
   39    38 S   HC   _H18    39     1.08842   117.10412   -82.50119
   40    38 S   CMA  _C18    40     1.35049   123.57802    98.05402
   41    40 S   OM   _O33    41     1.25874   130.94618   179.85065
   42    40 S   CM   _C17    42     1.46382   117.63176    -1.65327
   43    42 S   HC   _H17    43     1.08863   119.35925  -163.76294
   44    42 S   CM   _C16    44     1.34411   122.17141    17.42520
   45    44 S   HC   _H16    45     1.08583   119.08052   177.39721
   46    33 S   CT   _C15    46     1.57137   114.21593  -161.14212
   47    46 S   CA   _C11    47     1.52711   114.80216    51.76221
   48    46 S   CT   _C14    74     1.58881   109.52321   161.49827
   49    48 S   HC   _H14    75     1.10124   110.41996   156.37083
   50    48 S   HC   _H15    76     1.09594   112.67947    36.97272
   51    47 S   CR3  _C12    48     1.39606   109.64053    97.27162
   52    51 S   CA   _C7_    49     1.38409   123.56015   171.59791
   53    52 S   CA   _C8_    50     1.39524   117.52294     6.62010
   54    53 S   HA   _H13    51     1.08631   118.04679   179.12263
   55    52 S   CT   _C6_    64     1.50494   118.97881  -166.23223
   56    55 S   HC   _H11    65     1.09777   107.41069   102.71484
   57    55 S   HC   _H12    66     1.09372   110.37261  -140.87843
   58    53 S   CA   _C9_    52     1.41021   120.60983    -2.36761
   59    55 S   CT   _C5_    67     1.53767   114.27016   -17.49027
   60    59 S   HC   _H9_    68     1.09501   110.51373   163.19967
   61    59 S   HC   _H10    69     1.09638   111.60347   -74.88624
   62    47 S   CA   _C10    53     1.39172   131.73243   -87.48119
   63    58 S   OS   _O35    59     1.37280   123.84261   177.23317
   64    59 S   NP   _N4_    70     1.52808   110.54811    44.12138
   65    64 S   H    _H3_    71     1.02933   107.32686    54.55071
   66    62 S   OS   _O34    54     1.36960   118.17386     5.27767
   67    63 S   CT   _C22    60     1.42235   117.32009    -8.74388
   68    67 S   HC   _H22    61     1.09427   107.70914  -174.17604
   69    67 S   HC   _H23    62     1.09470   110.93809    68.28534
   70    67 S   HC   _H24    63     1.09515   111.40769   -56.34481
   71    51 S   CT   _C13    72     1.48931   112.33046    -4.51440
   72    71 S   HC   _H4_    73     1.09711   110.51960   -91.47874
   73    64 S   CT   _C4_    77     1.50081   111.78673   171.90231
   74    73 S   HC   _H6_    78     1.09321   108.73862    62.92901
   75    73 S   HC   _H7_    79     1.09252   108.30515  -176.22820
   76    73 S   HC   _H8_    80     1.09312   107.98814   -57.52143
   77    66 S   CT   _C21    55     1.42731   112.74423  -118.66981
   78    77 S   HC   _H19    56     1.09433   107.68865   148.52022
   79    77 S   HC   _H20    57     1.09631   112.76325    29.62780
   80    77 S   HC   _H21    58     1.09375   110.20444   -94.22930
  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   9   5   4   3
  16   7   2   1   1   9   4   6   3   6   3   9   3  12  15  11
   5   4  15  14  11   4  10   5   4   8  10   5   4   8   5   7
   6   4   3   2   1   1   5   1   3   2   1   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    51    62    71    48    49    50  
   38    39    40    44    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47    48  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    51    62    71    48    49    50  
   46    47    48  
   47    51    52    58    62    66    64    71    72    48    49    50  
   51    52    53    58    62    66    77    63    55    64    71    72    48    49    50  
   49    50    73    51    52    59    62    64    65    71    72  
   50    51    64    71    72  
   51    64    71    72  
   52    53    54    58    62    66    55    56    57    59    64    65    71    72    73  
   53    54    58    62    63    55    56    57    59    60    61    64    71    72  
   54    58    62    66    63    67    55    56    57    59    71  
   58    62    63    55  
   56    57    59    60    61    64    65    71    73    58  
   57    59    60    61    64  
   59    60    61    64  
   62    66    77    63    67    68    69    70  
   60    61    64    65    71    72    73    74    75    76  
   61    64    65    71    73  
   64    65    71    73  
   66    77    78    79    80    63    67    71  
   67    68    69    70    66  
   65    71    72    73    74    75    76  
   71    72    73    74    75    76  
   77    78    79    80  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   65   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   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    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   317.000  1.510
   33    46   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   317.000  1.510
   46    48   268.000  1.529
   47    51   490.000  1.398
   47    62   469.000  1.400
   51    52   490.000  1.398
   51    71   317.000  1.510
   52    53   469.000  1.400
   52    55   317.000  1.510
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    62   469.000  1.400
   58    63   450.000  1.364
   62    66   450.000  1.364
   66    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   367.000  1.471
   64    65   434.000  1.010
   64    71   367.000  1.471
   64    73   367.000  1.471
   71    72   340.000  1.090
   71    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   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  112.20000
   29    33    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  112.02700
   33    46    47    70.00000  112.17500
   33    46    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    46    47    70.00000  112.99600
   44    46    48    70.00000  112.02700
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    44    45    35.00000  117.00000
   46    47    51    80.00000  105.07000
   46    47    62    70.00000  120.00000
   46    48    71    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   47    51    52    60.00000  130.80000
   47    51    71    70.00000  120.00000
   47    62    58    63.00000  120.00000
   47    62    66    70.00000  120.00000
   51    52    53    70.00000  112.88000
   51    52    55    80.00000  105.07000
   51    71    64    75.00000  110.83300
   51    71    72    35.00000  109.50000
   51    71    48    70.00000  112.17500
   52    53    54    35.00000  120.00000
   52    53    58    63.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    59    70.00000  112.17500
   53    58    62    63.00000  120.00000
   53    58    63    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    66    70.00000  120.00000
   58    63    67    75.00000  111.00000
   62    47    51    70.00000  112.88000
   62    66    77    75.00000  111.00000
   66    77    78    35.00000  109.50000
   66    77    79    35.00000  109.50000
   66    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   63    58    62    70.00000  120.00000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    52    53    70.00000  120.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    64    80.00000  111.20000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    64    65    35.00000  109.50000
   59    64    71    75.00000  113.01200
   59    64    73    75.00000  113.01200
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   64    71    72    35.00000  109.50000
   64    71    48    80.00000  111.20000
   64    73    74    35.00000  109.50000
   64    73    75    35.00000  109.50000
   64    73    76    35.00000  109.50000
   71    51    52    70.00000  120.00000
   71    64    65    35.00000  109.50000
   71    48    49    37.50000  110.70000
   71    48    50    37.50000  110.70000
   48    46    47    70.00000  112.17500
   48    71    72    37.50000  110.70000
   50    48    49    33.00000  107.80000
   73    64    65    35.00000  109.50000
   73    64    71    75.00000  113.01200
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.56750  1.0 1.0
   29    33    46    47  -0.07550 -1.0 2.0
   29    33    46    47   0.20000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    51   0.04150 -1.0 2.0
   33    46    47    62   0.04150 -1.0 2.0
   33    46    48    71   0.56750  1.0 1.0
   33    46    48    71  -0.07550 -1.0 2.0
   33    46    48    71   0.20000  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.15000  1.0 3.0
   34    33    46    47   0.43200  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33    46    44   0.31000  1.0 1.0
   38    33    46    44   0.14700 -1.0 2.0
   38    33    46    44   0.07550  1.0 3.0
   38    33    46    47   0.21200  1.0 1.0
   38    33    46    47   0.16900 -1.0 2.0
   38    33    46    47  -1.15100  1.0 3.0
   38    33    46    48   0.34400  1.0 1.0
   38    33    46    48   0.09450 -1.0 2.0
   38    33    46    48   0.11100  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44   -46    33   0.09850  1.0 1.0
   42    44   -46    33   0.15250 -1.0 2.0
   42    44   -46    33  -0.50650  1.0 3.0
   42    44    46    47   1.44450  1.0 1.0
   42    44    46    47   0.06600 -1.0 2.0
   42    44    46    47   0.29250  1.0 3.0
   42    44    46    48   0.09850  1.0 1.0
   42    44    46    48   0.15250 -1.0 2.0
   42    44    46    48  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    51   0.18050 -1.0 2.0
   44    46    47    62   0.18050 -1.0 2.0
   44    46    48    71   0.34400  1.0 1.0
   44    46    48    71   0.09450 -1.0 2.0
   44    46    48    71   0.11100  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.00000  1.0 1.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    47    51    52   3.62500 -1.0 2.0
   46    47   -51    71   3.62500 -1.0 2.0
   46    47    62    58   3.62500 -1.0 2.0
   46    47    62    66   3.62500 -1.0 2.0
   47    46   -48    71  -0.03700  1.0 1.0
   47    46   -48    71   0.37200 -1.0 2.0
   47    46   -48    71  -0.47300  1.0 3.0
   47    46    48    49   0.43200  1.0 3.0
   47    46    48    50   0.43200  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    55   3.62500 -1.0 2.0
   47    51    71    64  -0.46400 -1.0 2.0
   47    51    71    72   0.00000  1.0 1.0
   47    51   -71    48   0.04150 -1.0 2.0
   47    62    66    77   1.63200 -1.0 2.0
   51    47    62    58   3.62500 -1.0 2.0
   51    47    62    66   3.62500 -1.0 2.0
   51    52    53    54   3.62500 -1.0 2.0
   51    52   -53    58   3.62500 -1.0 2.0
   51    52    55    56   0.00000  1.0 1.0
   51    52    55    57   0.00000  1.0 1.0
   51    52    55    59   0.04150 -1.0 2.0
   51    71   -48    46  -0.03700  1.0 1.0
   51    71   -48    46   0.37200 -1.0 2.0
   51    71   -48    46  -0.47300  1.0 3.0
   51    71    48    49   0.43200  1.0 3.0
   51    71    48    50   0.43200  1.0 3.0
   52    51    71    64  -0.46400 -1.0 2.0
   52    51    71    72   0.00000  1.0 1.0
   52    51    71    48   0.04150 -1.0 2.0
   52    53    58    62   3.62500 -1.0 2.0
   52    53    58    63   3.62500 -1.0 2.0
   52    55    59    60   0.43200  1.0 3.0
   52    55    59    61   0.43200  1.0 3.0
   52    55   -59    64   1.24050  1.0 1.0
   52    55   -59    64   0.48100 -1.0 2.0
   52    55   -59    64   1.08150  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    59   0.04150 -1.0 2.0
   53    58   -62    47   3.62500 -1.0 2.0
   53    58    62    66   3.62500 -1.0 2.0
   53    58    63    67   1.63200 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   54    53    58    63   3.62500 -1.0 2.0
   58    62    66    77   1.63200 -1.0 2.0
   58    63    67    68   0.08050  1.0 3.0
   58    63    67    69   0.08050  1.0 3.0
   58    63    67    70   0.08050  1.0 3.0
   62    47   -51    52   3.62500 -1.0 2.0
   62    47    51    71   3.62500 -1.0 2.0
   62    58    63    67   1.63200 -1.0 2.0
   62    66    77    78   0.08050  1.0 3.0
   62    66    77    79   0.08050  1.0 3.0
   62    66    77    80   0.08050  1.0 3.0
   63    58    62    47   3.62500 -1.0 2.0
   63    58    62    66   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    58   3.62500 -1.0 2.0
   55    59    64    65   0.17350  1.0 3.0
   55    59    64    71   0.47100  1.0 1.0
   55    59    64    73   0.47100  1.0 1.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    64   0.19200  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    64   0.19200  1.0 3.0
   59    64   -71    51   0.03550  1.0 1.0
   59    64   -71    51   0.09800 -1.0 2.0
   59    64    71    72   0.15000  1.0 3.0
   59    64    71    48   0.47100  1.0 1.0
   59    64    73    74   0.15000  1.0 3.0
   59    64    73    75   0.15000  1.0 3.0
   59    64    73    76   0.15000  1.0 3.0
   60    59    64    65   0.13050  1.0 3.0
   60    59    64    71   0.15000  1.0 3.0
   60    59    64    73   0.15000  1.0 3.0
   61    59    64    65   0.13050  1.0 3.0
   61    59    64    71   0.15000  1.0 3.0
   61    59    64    73   0.15000  1.0 3.0
   64    71    48    46   1.36600  1.0 1.0
   64    71    48    46  -0.11450 -1.0 2.0
   64    71    48    46   0.24250  1.0 3.0
   64    71    48    49   0.19200  1.0 3.0
   64    71    48    50   0.19200  1.0 3.0
   65    64    71    51   0.17350  1.0 3.0
   65    64    71    72   0.13050  1.0 3.0
   65    64    71    48   0.17350  1.0 3.0
   65    64    73    74   0.13050  1.0 3.0
   65    64    73    75   0.13050  1.0 3.0
   65    64    73    76   0.13050  1.0 3.0
   71    51    52    53   3.62500 -1.0 2.0
   71    51   -52    55   3.62500 -1.0 2.0
   71    64    73    74   0.15000  1.0 3.0
   71    64    73    75   0.15000  1.0 3.0
   71    64    73    76   0.15000  1.0 3.0
   72    71    48    46   0.15000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   72    71    48    50   0.15000  1.0 3.0
   48    46   -47    51   0.04150 -1.0 2.0
   48    46    47    62   0.04150 -1.0 2.0
   73    64    71    51   0.03550  1.0 1.0
   73    64    71    51   0.09800 -1.0 2.0
   73    64    71    72   0.15000  1.0 3.0
   73    64    71    48   0.47100  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   51    62    47    46   4.00000 -1.0 2.0
   52    71    51    47   4.00000 -1.0 2.0
   53    55    52    51   4.00000 -1.0 2.0
   58    54    53    52   1.10000 -1.0 2.0
   62    63    58    53   4.00000 -1.0 2.0
   58    66    62    47   4.00000 -1.0 2.0
END
