* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    160    247     470
    1     0 S   NP   _N1_     1    28.19301    98.03037   -23.73201
    2     1 S   H    _HN1     2     1.02778   111.46748  -104.43146
    3     1 S   H    _H1_     3     1.02958    66.93457    -2.89726
    4     1 S   H    _H2_     4     1.02836    41.29374   162.56623
    5     1 S   CT   _CA1     5     1.50145   134.24173    93.64828
    6     5 S   HC   _HA1     6     1.09577   105.19479   100.38322
    7     5 S   CO3  _C1_     7     1.53767   112.31684   -19.76082
    8     7 S   O2Z  _O11     8     1.26367   114.99068   -44.63708
    9     7 S   O2Z  _O12     9     1.26231   114.92158   134.32764
   10     5 S   CT   _CB1    10     1.53085   107.40458  -141.75971
   11    10 S   HC   HB11    11     1.09831   109.27143   -50.55296
   12    10 S   HC   HB12    12     1.09814   110.45727    65.97759
   13    10 S   CT   _CG1    13     1.53040   112.71130  -171.61564
   14    13 S   HC   HG11    14     1.09591   110.52323   -65.46425
   15    13 S   HC   HG12    15     1.09660   109.88835    53.75269
   16    13 S   C    _CD1    16     1.51859   112.23465   174.08013
   17    16 S   O    _OE1    17     1.22769   123.25426     2.39719
   18    16 S   N    _N2_    18     1.38571   111.80448  -177.55191
   19    18 S   H    _HN2    19     1.01562   119.09174     3.73633
   20    18 S   CT1  _CA2    20     1.45805   122.76696   177.34937
   21    20 S   HC   _HA2    21     1.09744   108.84970    25.56689
   22    20 S   C    _C2_    22     1.53013   107.17935   -91.28869
   23    22 S   O    _O2_    23     1.22965   123.15233   -24.53410
   24    20 S   CT   _CB2    32     1.53214   112.37725   148.71269
   25    24 S   HC   HB21    33     1.09592   110.34261    54.22941
   26    24 S   HC   HB22    34     1.09426   109.83082   173.16614
   27    22 S   N    _N3_    24     1.38521   112.47069   158.10250
   28    27 S   H    _HN3    25     1.01652   120.29138    -2.40290
   29    24 S   S    _SG2    35     1.82502   111.27121   -66.64864
   30    27 S   CT   _CA3    26     1.45351   122.60300   178.40419
   31    30 S   HC   HA31    27     1.09566   107.98128   -52.22780
   32    30 S   HC   HA32    28     1.09556   107.48752    64.16235
   33    29 S   CT   _C14    36     1.83986    99.62686   177.06155
   34    33 S   HC   _H4_    37     1.10116   106.53675   -49.08121
   35    30 S   CO3  _C3_    29     1.52911   114.23434  -174.21209
   36    35 S   O2Z  _O31    30     1.26350   116.03726     0.46730
   37    35 S   O2Z  _O32    31     1.26428   114.42638  -179.60733
   38    33 S   CT   _C13    38     1.53001   111.09565    69.29921
   39    38 S   HC   _H17    39     1.09629   112.16318    45.59663
   40    38 S   HC   _H18    40     1.09469   110.12495   -76.33206
   41    38 S   CM   _C12    41     1.51483   104.06569   163.83422
   42    41 S   CM   _C11    42     1.35232   122.88616   158.58089
   43    41 S   CT   _C16    56     1.53210   109.03208   -17.05089
   44    43 S   HC   _H5_    57     1.10248   106.70249   104.60817
   45    42 S   CT   _C10    43     1.51677   124.62786  -171.37252
   46    45 S   HC   _H15    44     1.09795   108.51645    70.66274
   47    45 S   HC   _H16    45     1.09831   108.22899  -175.98878
   48    33 S   CT   _C15    58     1.55558   117.14590  -172.73901
   49    48 S   OM   _O37    59     1.32276   109.50425    78.12467
   50    42 S   CT   _C23    81     1.51433   122.15251     6.58922
   51    50 S   HC   _H24    82     1.09595   109.89355   129.67750
   52    50 S   HC   _H25    83     1.09290   113.60190    10.13985
   53    45 S   CT   _C9_    46     1.53385   117.66906   -54.96837
   54    53 S   HC   _H3_    47     1.09824   107.69808  -169.78510
   55    48 S   CT   _C22    60     1.54605   113.46435   -43.23914
   56    55 S   HC   _H21    61     1.09721   112.53971    61.87369
   57    55 S   HC   _H22    62     1.09563   111.63385   -58.87318
   58    55 S   HC   _H23    63     1.09674   112.58211  -179.21217
   59    50 S   OH   _O38    84     1.42124   109.23522  -111.05353
   60    59 S   HO   _H26    85     0.97219   106.98249  -179.07190
   61    53 S   CT   _C18    48     1.52769   111.71331    71.63401
   62    61 S   HC   _H7_    49     1.09990   108.94451    51.82455
   63    53 S   OS   _O34    67     1.44296   110.15113   -50.79604
   64    61 S   CM   _C19    50     1.49527   117.34675   172.36863
   65    63 S   CO4  _C8_    68     1.35750   117.75380   -81.28225
   66    65 S   O    _O33    69     1.22091   126.97406    -1.17069
   67    64 S   CO4  _C21    51     1.47947   107.26533   153.95112
   68    67 S   O    _O35    52     1.21706   127.25293   166.58844
   69    64 S   CM   _C20    64     1.33552   131.07177   -24.31752
   70    69 S   HC   _H19    65     1.08417   121.46266    -1.14364
   71    69 S   HC   _H20    66     1.08542   121.48596   178.97933
   72    65 S   CM   _C6_    70     1.48467   108.39076   179.22167
   73    67 S   OS   _O36    53     1.36391   106.41648   -11.94344
   74    72 S   CM   _C5_    71     1.34471   120.52340  -135.45240
   75    74 S   HC   _H11    72     1.08927   117.79740  -177.85242
   76    72 S   CT   _C7_    77     1.50033   116.90601    46.57177
   77    76 S   HC   _H12    78     1.09492   110.68931   -70.69835
   78    76 S   HC   _H13    79     1.09520   110.43098    49.51419
   79    76 S   HC   _H14    80     1.09521   111.94411   169.16346
   80    61 S   CT   _C17    54     1.52236   114.99362   -72.04314
   81    80 S   HC   _H6_    55     1.09929   111.50100   -48.18042
   82    74 S   CT   _C4_    73     1.49586   128.23429     3.91747
   83    82 S   HC   _H8_    74     1.09403   109.96155  -109.79100
   84    82 S   HC   _H9_    75     1.09505   109.34121   131.68513
   85    82 S   HC   _H10    76     1.09238   113.54658    12.29275
  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
  15   8   2   1   1  12   5   4  18  16  17   7  14   6   5   9
   5   5   3   2  13   6   4   2   1   1   1   1  12   7   7   8
   9   3   7   3   4   1   1  10   2   9   5   4   2   1   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    48    49    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    80    43    44    48    49    55    56    57    58  
   38    39    40    41    43    48    49    55  
   36    37  
   37  
    0  
   39    40    41    42    45    80    43    44    48    49    55    50  
   40    41    42    43    48  
   41    42    43    48  
   42    45    46    47    53    61    73    80    81    43    44    48    49    55    50    51    52    59  
   45    46    47    53    54    61    80    43    44    48    63    50    51    52    59    60  
   44    48    49    55    56    57    58    50    45    53    61    62    64    67    73    80    81  
   48    49    55    61    73    80    81  
   46    47    53    54    61    62    64    80    63    65    50    51    52    59  
   47    53    54    61    63    50  
   53    54    61    63    50  
   49    55    56    57    58    61    73    80    81  
   55    56    57    58    80  
   51    52    59    60    53  
   52    59    60  
   59    60  
   54    61    62    64    67    73    80    81    69    63    65    66    72  
   61    62    64    80    63    65  
   56    57    58    80  
   57    58  
   58  
    0  
   60  
    0  
   62    64    67    68    73    80    81    69    70    71    63    65  
   64    67    73    80    81    69    63  
   65    66    72    74    76    64    80  
   67    68    73    80    81    69    70    71  
   66    72    74    75    82    76    77    78    79  
   72    74    76  
   68    73    80    81    69    70    71  
   73    80    69  
   70    71    73    80  
   71  
    0  
   74    75    82    83    84    85    76    77    78    79  
   80    81  
   75    82    83    84    85    76    77    78    79  
   82    83    84    85    76  
   77    78    79    82  
   78    79  
   79  
    0  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   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   268.000  1.529
   33    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   549.000  1.340
   41    43   317.000  1.510
   42    45   317.000  1.510
   42    50   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    53   268.000  1.529
   53    54   340.000  1.090
   53    61   268.000  1.529
   53    63   320.000  1.410
   61    62   340.000  1.090
   61    64   317.000  1.510
   61    80   268.000  1.529
   64    67   320.000  1.462
   64    69   549.000  1.340
   67    68   570.000  1.229
   67    73   214.000  1.327
   73    80   320.000  1.410
   80    81   340.000  1.090
   80    43   268.000  1.529
   43    44   340.000  1.090
   43    48   268.000  1.529
   48    49   570.000  1.307
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   69    70   340.000  1.080
   69    71   340.000  1.080
   63    65   214.000  1.327
   65    66   570.000  1.229
   65    72   320.000  1.462
   72    74   549.000  1.340
   72    76   317.000  1.510
   74    75   340.000  1.080
   74    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   320.000  1.410
   59    60   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    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    43    58.35000  112.70000
   33    48    49    50.00000  109.50000
   33    48    55    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  124.00000
   38    41    43    65.00000  117.92700
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    42    45    70.00000  124.00000
   41    42    50    70.00000  124.00000
   41    43    80    70.00000  112.02700
   41    43    44    35.00000  109.50000
   41    43    48    70.00000  112.02700
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    53    70.00000  112.02700
   42    50    51    35.00000  109.50000
   42    50    52    35.00000  109.50000
   42    50    59    90.00000  110.39200
   45    53    54    37.50000  110.70000
   45    53    61    58.35000  112.70000
   45    53    63    50.00000  109.50000
   47    45    46    33.00000  107.80000
   53    45    46    37.50000  110.70000
   53    45    47    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    64    70.00000  112.02700
   53    61    80    58.35000  112.70000
   53    63    65    83.00000  116.90000
   61    53    54    37.50000  110.70000
   61    64    67    65.00000  116.34900
   61    64    69    70.00000  124.00000
   61    80    73    50.00000  109.50000
   61    80    81    37.50000  110.70000
   61    80    43    58.35000  112.70000
   64    61    62    35.00000  109.50000
   64    67    68    80.00000  123.72100
   64    67    73    90.00000  111.29400
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   67    73    80    83.00000  116.90000
   73    67    68    83.00000  123.40000
   73    80    81    35.00000  109.50000
   73    80    43    50.00000  109.50000
   80    61    62    37.50000  110.70000
   80    61    64    70.00000  112.02700
   80    43    44    37.50000  110.70000
   80    43    48    58.35000  112.70000
   43    41    42    70.00000  124.00000
   43    80    81    37.50000  110.70000
   43    48    49    50.00000  109.50000
   43    48    55    58.35000  112.70000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    43    44    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    37.50000  110.70000
   55    48    49    50.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   69    64    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   63    53    54    35.00000  109.50000
   63    53    61    50.00000  109.50000
   63    65    66    83.00000  123.40000
   63    65    72    90.00000  111.29400
   65    72    74    65.00000  118.96000
   65    72    76    65.00000  116.34900
   72    65    66    80.00000  123.72100
   72    74    75    35.00000  120.00000
   72    74    82    70.00000  124.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   74    82    83    35.00000  109.50000
   74    82    84    35.00000  109.50000
   74    82    85    35.00000  109.50000
   82    74    75    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    72    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   50    42    45    65.00000  117.92700
   50    59    60    55.00000  108.50000
   52    50    51    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    52    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    43   0.44750  1.0 1.0
   29    33    48    43  -0.17800 -1.0 2.0
   29    33    48    43   0.20200  1.0 3.0
   29    33    48    49   0.56750  1.0 1.0
   29    33    48    49  -0.07550 -1.0 2.0
   29    33    48    49   0.20000  1.0 3.0
   29    33    48    55   0.44750  1.0 1.0
   29    33    48    55  -0.17800 -1.0 2.0
   29    33    48    55   0.20200  1.0 3.0
   33    38    41    42   0.09850  1.0 1.0
   33    38    41    42   0.15250 -1.0 2.0
   33    38    41    42  -0.50650  1.0 3.0
   33    38   -41    43   0.46850  1.0 1.0
   33    38   -41    43   0.08550 -1.0 2.0
   33    38   -41    43   0.09800  1.0 3.0
   33    48    55    56   0.15000  1.0 3.0
   33    48    55    57   0.15000  1.0 3.0
   33    48    55    58   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    43   0.15000  1.0 3.0
   34    33    48    49   0.23400  1.0 3.0
   34    33    48    55   0.15000  1.0 3.0
   38    33   -48    43   0.56750  1.0 1.0
   38    33   -48    43  -0.07550 -1.0 2.0
   38    33   -48    43   0.20000  1.0 3.0
   38    33    48    49   0.62750  1.0 1.0
   38    33    48    49  -0.30950 -1.0 2.0
   38    33    48    49   0.27300  1.0 3.0
   38    33    48    55   0.56750  1.0 1.0
   38    33    48    55  -0.07550 -1.0 2.0
   38    33    48    55   0.20000  1.0 3.0
   38    41    42    45   7.00000 -1.0 2.0
   38    41    42    50   7.00000 -1.0 2.0
   38    41    43    80   0.46850  1.0 1.0
   38    41    43    80   0.08550 -1.0 2.0
   38    41    43    80   0.09800  1.0 3.0
   38    41    43    44   0.34800  1.0 3.0
   38    41   -43    48   0.46850  1.0 1.0
   38    41   -43    48   0.08550 -1.0 2.0
   38    41   -43    48   0.09800  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.34800  1.0 3.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.34800  1.0 3.0
   41    42    45    46   0.00000  1.0 1.0
   41    42    45    47   0.00000  1.0 1.0
   41    42    45    53   0.09850  1.0 1.0
   41    42    45    53   0.15250 -1.0 2.0
   41    42    45    53  -0.50650  1.0 3.0
   41    42    50    51   0.00000  1.0 1.0
   41    42    50    52   0.00000  1.0 1.0
   41    42    50    59   0.67800  1.0 1.0
   41    42    50    59   0.47050 -1.0 2.0
   41    42    50    59  -0.62500  1.0 3.0
   41    43   -48    33   0.34400  1.0 1.0
   41    43   -48    33   0.09450 -1.0 2.0
   41    43   -48    33   0.11100  1.0 3.0
   41    43    48    49   0.61850  1.0 1.0
   41    43    48    49  -0.22750 -1.0 2.0
   41    43    48    49   0.15300  1.0 3.0
   41    43    48    55   0.34400  1.0 1.0
   41    43    48    55   0.09450 -1.0 2.0
   41    43    48    55   0.11100  1.0 3.0
   42    41    43    80   0.09850  1.0 1.0
   42    41    43    80   0.15250 -1.0 2.0
   42    41    43    80  -0.50650  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    48   0.09850  1.0 1.0
   42    41    43    48   0.15250 -1.0 2.0
   42    41    43    48  -0.50650  1.0 3.0
   42    45    53    54   0.15000  1.0 3.0
   42    45    53    61   0.34400  1.0 1.0
   42    45    53    61   0.09450 -1.0 2.0
   42    45    53    61   0.11100  1.0 3.0
   42    45    53    63   0.61850  1.0 1.0
   42    45    53    63  -0.22750 -1.0 2.0
   42    45    53    63   0.15300  1.0 3.0
   42    50    59    60  -0.07800  1.0 1.0
   42    50    59    60  -0.21500 -1.0 2.0
   42    50    59    60  -0.03150  1.0 3.0
   45    42    50    51   0.34800  1.0 3.0
   45    42    50    52   0.34800  1.0 3.0
   45    42    50    59   0.18000  1.0 1.0
   45    42    50    59   0.16450 -1.0 2.0
   45    42    50    59   0.04450  1.0 3.0
   45    53    61    62   0.15000  1.0 3.0
   45    53    61    64   0.34400  1.0 1.0
   45    53    61    64   0.09450 -1.0 2.0
   45    53    61    64   0.11100  1.0 3.0
   45    53    61    80   0.56750  1.0 1.0
   45    53    61    80  -0.07550 -1.0 2.0
   45    53    61    80   0.20000  1.0 3.0
   45    53    63    65  -0.25900  1.0 1.0
   45    53    63    65  -0.47000 -1.0 2.0
   45    53    63    65   0.11750  1.0 3.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    61   0.15000  1.0 3.0
   46    45    53    63   0.23400  1.0 3.0
   47    45    53    54   0.15000  1.0 3.0
   47    45    53    61   0.15000  1.0 3.0
   47    45    53    63   0.23400  1.0 3.0
   53    61    64    67   0.09700  1.0 1.0
   53    61    64    67   0.15600 -1.0 2.0
   53    61    64    67  -0.50800  1.0 3.0
   53    61    64    69   0.09850  1.0 1.0
   53    61    64    69   0.15250 -1.0 2.0
   53    61    64    69  -0.50650  1.0 3.0
   53    61    80    73   0.62750  1.0 1.0
   53    61    80    73  -0.30950 -1.0 2.0
   53    61    80    73   0.27300  1.0 3.0
   53    61    80    81   0.15000  1.0 3.0
   53    61    80    43   0.56750  1.0 1.0
   53    61    80    43  -0.07550 -1.0 2.0
   53    61    80    43   0.20000  1.0 3.0
   53    63    65    66   3.00000 -1.0 2.0
   53    63    65    72   2.00000 -1.0 2.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    64   0.15000  1.0 3.0
   54    53    61    80   0.15000  1.0 3.0
   54    53    63    65   0.08050  1.0 3.0
   61    53    63    65  -0.25900  1.0 1.0
   61    53    63    65  -0.47000 -1.0 2.0
   61    53    63    65   0.11750  1.0 3.0
   61    64    67    68  -0.64400  1.0 1.0
   61    64    67    68   0.26850 -1.0 2.0
   61    64   -67    73  -0.15000  1.0 1.0
   61    64   -67    73   0.89550 -1.0 2.0
   61    64   -67    73  -0.06900  1.0 3.0
   61    64    69    70   7.00000 -1.0 2.0
   61    64    69    71   7.00000 -1.0 2.0
   61    80    43    41   0.34400  1.0 1.0
   61    80    43    41   0.09450 -1.0 2.0
   61    80    43    41   0.11100  1.0 3.0
   61    80    43    44   0.15000  1.0 3.0
   61    80    43    48   0.56750  1.0 1.0
   61    80    43    48  -0.07550 -1.0 2.0
   61    80    43    48   0.20000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    64    69   0.00000  1.0 1.0
   62    61    80    73   0.23400  1.0 3.0
   62    61    80    81   0.15000  1.0 3.0
   62    61    80    43   0.15000  1.0 3.0
   64    61   -80    73   0.61850  1.0 1.0
   64    61   -80    73  -0.22750 -1.0 2.0
   64    61   -80    73   0.15300  1.0 3.0
   64    61    80    81   0.15000  1.0 3.0
   64    61    80    43   0.34400  1.0 1.0
   64    61    80    43   0.09450 -1.0 2.0
   64    61    80    43   0.11100  1.0 3.0
   64    67   -73    80   2.00000 -1.0 2.0
   67    64    69    70   7.00000 -1.0 2.0
   67    64    69    71   7.00000 -1.0 2.0
   67    73   -80    61  -0.25900  1.0 1.0
   67    73   -80    61  -0.47000 -1.0 2.0
   67    73   -80    61   0.11750  1.0 3.0
   67    73    80    81   0.08050  1.0 3.0
   67    73    80    43  -0.25900  1.0 1.0
   67    73    80    43  -0.47000 -1.0 2.0
   67    73    80    43   0.11750  1.0 3.0
   68    67    73    80   3.00000 -1.0 2.0
   73    80    43    41   0.61850  1.0 1.0
   73    80    43    41  -0.22750 -1.0 2.0
   73    80    43    41   0.15300  1.0 3.0
   73    80    43    44   0.23400  1.0 3.0
   73    80    43    48   0.62750  1.0 1.0
   73    80    43    48  -0.30950 -1.0 2.0
   73    80    43    48   0.27300  1.0 3.0
   80    61   -64    67   0.09700  1.0 1.0
   80    61   -64    67   0.15600 -1.0 2.0
   80    61   -64    67  -0.50800  1.0 3.0
   80    61    64    69   0.09850  1.0 1.0
   80    61    64    69   0.15250 -1.0 2.0
   80    61    64    69  -0.50650  1.0 3.0
   80    43    48    33   0.56750  1.0 1.0
   80    43    48    33  -0.07550 -1.0 2.0
   80    43    48    33   0.20000  1.0 3.0
   80    43    48    49   0.62750  1.0 1.0
   80    43    48    49  -0.30950 -1.0 2.0
   80    43    48    49   0.27300  1.0 3.0
   80    43    48    55   0.56750  1.0 1.0
   80    43    48    55  -0.07550 -1.0 2.0
   80    43    48    55   0.20000  1.0 3.0
   81    80    43    41   0.15000  1.0 3.0
   81    80    43    44   0.15000  1.0 3.0
   81    80    43    48   0.15000  1.0 3.0
   43    41    42    45   7.00000 -1.0 2.0
   43    41    42    50   7.00000 -1.0 2.0
   43    48    55    56   0.15000  1.0 3.0
   43    48    55    57   0.15000  1.0 3.0
   43    48    55    58   0.15000  1.0 3.0
   44    43    48    33   0.15000  1.0 3.0
   44    43    48    49   0.23400  1.0 3.0
   44    43    48    55   0.15000  1.0 3.0
   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
   49    48    55    56   0.23400  1.0 3.0
   49    48    55    57   0.23400  1.0 3.0
   49    48    55    58   0.23400  1.0 3.0
   69    64    67    68   1.00000 -1.0 2.0
   69    64    67    73  -0.56150  1.0 1.0
   69    64    67    73   2.19150 -1.0 2.0
   63    53    61    62   0.23400  1.0 3.0
   63    53    61    64   0.61850  1.0 1.0
   63    53    61    64  -0.22750 -1.0 2.0
   63    53    61    64   0.15300  1.0 3.0
   63    53    61    80   0.62750  1.0 1.0
   63    53    61    80  -0.30950 -1.0 2.0
   63    53    61    80   0.27300  1.0 3.0
   63    65    72    74  -0.56150  1.0 1.0
   63    65    72    74   2.19150 -1.0 2.0
   63    65    72    76  -0.15000  1.0 1.0
   63    65    72    76   0.89550 -1.0 2.0
   63    65    72    76  -0.06900  1.0 3.0
   65    72    74    75   7.00000 -1.0 2.0
   65    72    74    82   7.00000 -1.0 2.0
   65    72    76    77   0.15000  1.0 3.0
   65    72    76    78   0.15000  1.0 3.0
   65    72    76    79   0.15000  1.0 3.0
   66    65    72    74   1.00000 -1.0 2.0
   66    65    72    76  -0.64400  1.0 1.0
   66    65    72    76   0.26850 -1.0 2.0
   72    74    82    83   0.00000  1.0 1.0
   72    74    82    84   0.00000  1.0 1.0
   72    74    82    85   0.00000  1.0 1.0
   74    72    76    77   0.00000  1.0 1.0
   74    72    76    78   0.00000  1.0 1.0
   74    72    76    79   0.00000  1.0 1.0
   75    74    82    83   0.33100  1.0 3.0
   75    74    82    84   0.33100  1.0 3.0
   75    74    82    85   0.33100  1.0 3.0
   76    72    74    75   7.00000 -1.0 2.0
   76    72    74    82   7.00000 -1.0 2.0
   50    42    45    46   0.34800  1.0 3.0
   50    42    45    47   0.34800  1.0 3.0
   50    42    45    53   0.46850  1.0 1.0
   50    42    45    53   0.08550 -1.0 2.0
   50    42    45    53   0.09800  1.0 3.0
   51    50    59    60   0.19450  1.0 3.0
   52    50    59    60   0.19450  1.0 3.0
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    43    41    42   1.10000 -1.0 2.0
   45    50    42    41   1.10000 -1.0 2.0
   61    67    64    69   1.10000 -1.0 2.0
   64    73    67    68  10.50000 -1.0 2.0
   70    71    69    64   1.10000 -1.0 2.0
   63    72    65    66  10.50000 -1.0 2.0
   65    76    72    74  15.00000 -1.0 2.0
   82    75    74    72  15.00000 -1.0 2.0
END
