* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    148    225     437
    1     0 S   NP   _N1_     1    30.16213    96.54548   -16.08979
    2     1 S   H    _HN1     2     1.02774    53.75671   -81.23174
    3     1 S   H    _H1_     3     1.02960    95.89316    27.23050
    4     1 S   H    _H2_     4     1.02836    61.93091   133.38463
    5     1 S   CT   _CA1     5     1.50117   153.55300  -146.48230
    6     5 S   HC   _HA1     6     1.09559   105.29911    -9.10280
    7     5 S   CO3  _C1_     7     1.53878   112.32804  -129.53183
    8     7 S   O2Z  _O11     8     1.26362   114.98069   -42.45827
    9     7 S   O2Z  _O12     9     1.26230   114.96504   136.75261
   10     5 S   CT   _CB1    10     1.53084   107.44770   109.06275
   11    10 S   HC   HB11    11     1.09818   109.65873   -48.37302
   12    10 S   HC   HB12    12     1.09814   110.24431    68.23472
   13    10 S   CT   _CG1    13     1.53007   112.62868  -169.41900
   14    13 S   HC   HG11    14     1.09530   110.41996   -57.20567
   15    13 S   HC   HG12    15     1.09617   110.16932    61.91848
   16    13 S   C    _CD1    16     1.51785   112.06213  -177.78530
   17    16 S   O    _OE1    17     1.22727   123.15118   -13.09313
   18    16 S   N    _N2_    18     1.38576   111.70195   167.27243
   19    18 S   H    _HN2    19     1.01587   119.03352     1.99557
   20    18 S   CT1  _CA2    20     1.46286   123.45148  -176.58241
   21    20 S   HC   _HA2    21     1.09729   109.42301   -15.03718
   22    20 S   C    _C2_    22     1.53384   108.29595  -130.85790
   23    22 S   O    _O2_    23     1.23004   122.28473  -145.52355
   24    20 S   CT   _CB2    32     1.53591   111.02543   107.08729
   25    24 S   HC   HB21    33     1.09239   109.02785    55.81375
   26    24 S   HC   HB22    34     1.09516   110.56299   173.70496
   27    22 S   N    _N3_    24     1.38524   113.30835    41.83555
   28    27 S   H    _HN3    25     1.01533   118.89489    -0.57641
   29    24 S   S    _SG2    35     1.83061   111.20388   -67.62769
   30    27 S   CT   _CA3    26     1.45451   123.45185   175.09655
   31    30 S   HC   HA31    27     1.09522   109.24077    24.24211
   32    30 S   HC   HA32    28     1.09495   107.11840   141.25005
   33    29 S   CT   _C9_    36     1.87921   103.31101   144.14856
   34    30 S   CO3  _C3_    29     1.52928   113.12265   -99.23666
   35    34 S   O2Z  _O31    30     1.26402   115.40974   -44.18889
   36    34 S   O2Z  _O32    31     1.26356   114.97883   136.74942
   37    33 S   CT   _C8_    37     1.56734   109.01074   -67.40793
   38    37 S   HC   _H13    38     1.09872   108.80781   169.89695
   39    37 S   HC   _H14    39     1.09645   109.23443    57.35425
   40    33 S   CT   _C10    59     1.57278   104.97563   170.03545
   41    40 S   HC   _H3_    60     1.09205   107.32534    51.85456
   42    33 S   CT   _C20    77     1.54096   108.85401    51.74849
   43    42 S   HC   _H23    78     1.09551   112.25984    56.58387
   44    42 S   HC   _H24    79     1.09449   112.42830   -65.04392
   45    42 S   HC   _H25    80     1.09506   110.82377   176.78959
   46    37 S   CT   _C7_    40     1.54771   118.66987   -65.17982
   47    46 S   HC   _H11    41     1.09738   108.21098   161.79569
   48    46 S   HC   _H12    42     1.09061   110.60004    46.09455
   49    40 S   OH   _O37    61     1.43595   110.24870   -62.53683
   50    49 S   HO   _H22    62     0.97174   107.98130   171.90081
   51    46 S   CM   _C6_    43     1.50117   111.55046   -80.75959
   52    51 S   HC   _H10    44     1.08957   113.69006   -57.68013
   53    51 S   CM   _C5_    45     1.34595   128.36796   116.09686
   54    53 S   CT   _C14    46     1.51660   120.09495  -166.02794
   55    54 S   HC   _H15    47     1.09845   108.06276   179.44574
   56    54 S   HC   _H16    48     1.09723   108.23840   -66.42236
   57    53 S   CT   _C4_    73     1.50501   124.98508    10.70223
   58    57 S   HC   _H7_    74     1.09541   109.73838   122.52254
   59    57 S   HC   _H8_    75     1.09149   113.64697     2.83096
   60    57 S   HC   _H9_    76     1.09480   110.45230  -118.30615
   61    54 S   CT   _C13    49     1.55779   117.11016    58.99008
   62    61 S   HC   _H6_    50     1.09847   105.86510   159.41548
   63    61 S   CT   _C12    51     1.56066   115.60305    40.02040
   64    63 S   HC   _H5_    52     1.09726   108.39079    40.96854
   65    61 S   OS   _O33    66     1.44795   110.02450   -84.37761
   66    63 S   CM   _C17    53     1.49509   112.53244   160.37571
   67    65 S   CO4  _C15    67     1.36224   117.93059   -81.81653
   68    67 S   O    _O34    68     1.22296   126.46388     0.13848
   69    66 S   CO4  _C19    54     1.47025   110.94980   120.39183
   70    69 S   O    _O35    55     1.21788   126.88016  -177.69862
   71    66 S   CM   _C18    63     1.33709   127.99873   -61.67377
   72    71 S   HC   _H20    64     1.08497   120.97746     0.74494
   73    71 S   HC   _H21    65     1.08533   121.84606  -178.95395
   74    67 S   CT   _C16    69     1.49827   109.40784  -179.97202
   75    74 S   HC   _H17    70     1.09294   109.80271   -61.11342
   76    74 S   HC   _H18    71     1.09375   109.37383   179.81762
   77    74 S   HC   _H19    72     1.09293   109.82086    60.76356
   78    69 S   OS   _O36    56     1.35560   107.54718     2.67927
   79    63 S   CT   _C11    57     1.54637   115.10250   -84.45332
   80    79 S   HC   _H4_    58     1.08794   110.66967    -5.28127
  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  13   5   4   3
  19   2   1   1  16   7   6  16   7   6   2   1   1   7   4   3
   5   1  10   3  11  14   6   5   4   2   1   1  13   6  12   7
   8   8   5   4   7   3   4   1   1   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    79    40    41    49    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    51    63    78    79    80    40    41    49    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    51    52    53    79    40    41    49    42    43    44    45  
   39    46    47    48    51    40    42  
   46    47    48    51    40    42  
   41    49    50    42    43    44    45    46    61    63    64    66    69    78    79    80  
   49    50    42    63    78    79    80  
   43    44    45    46    49    79  
   44    45  
   45  
    0  
   47    48    51    52    53    54    57  
   48    51    52    53  
   51    52    53  
   50    63    78    79    80  
   79  
   52    53    54    55    56    61    57    58    59    60  
   53    54    57  
   54    55    56    61    62    63    65    57    58    59    60  
   55    56    61    62    63    64    66    79    65    67    57    58    59    60  
   56    61    62    63    65    57  
   61    62    63    65    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    66    69    78    79    80    71    65    67    68    74  
   63    64    66    79    65    67  
   64    66    69    70    78    79    80    71    72    73    65    67  
   66    69    78    79    80    71    65  
   67    68    74    75    76    77    66    79  
   69    70    78    79    80    71    72    73  
   68    74    75    76    77  
   74    75    76    77  
   70    78    79    80    71    72    73  
   78    79    71  
   72    73    78    79  
   73  
    0  
   75    76    77  
   76    77  
   77  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   317.000  1.510
   53    57   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    66   317.000  1.510
   63    79   268.000  1.529
   66    69   320.000  1.462
   66    71   549.000  1.340
   69    70   570.000  1.229
   69    78   214.000  1.327
   78    79   320.000  1.410
   79    80   340.000  1.090
   79    40   268.000  1.529
   40    41   340.000  1.090
   40    49   320.000  1.410
   49    50   553.000  0.945
   71    72   340.000  1.080
   71    73   340.000  1.080
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    79    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    49    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    70.00000  112.02700
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    51    52    35.00000  117.00000
   46    51    53    70.00000  124.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    53    54    70.00000  124.00000
   51    53    57    70.00000  124.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   53    54    61    70.00000  112.02700
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    58.35000  112.70000
   54    61    65    50.00000  109.50000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    66    70.00000  112.02700
   61    63    79    58.35000  112.70000
   61    65    67    83.00000  116.90000
   63    61    62    37.50000  110.70000
   63    66    69    65.00000  116.34900
   63    66    71    70.00000  124.00000
   63    79    78    50.00000  109.50000
   63    79    80    37.50000  110.70000
   63    79    40    58.35000  112.70000
   66    63    64    35.00000  109.50000
   66    69    70    80.00000  123.72100
   66    69    78    90.00000  111.29400
   66    71    72    35.00000  120.00000
   66    71    73    35.00000  120.00000
   69    78    79    83.00000  116.90000
   78    69    70    83.00000  123.40000
   78    79    80    35.00000  109.50000
   78    79    40    50.00000  109.50000
   79    63    64    37.50000  110.70000
   79    63    66    70.00000  112.02700
   79    40    41    37.50000  110.70000
   79    40    49    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    79    80    37.50000  110.70000
   40    49    50    55.00000  108.50000
   49    40    41    35.00000  109.50000
   71    66    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    74    81.00000  111.40000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    77    35.00000  109.50000
   74    67    68    80.00000  120.40000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   57    53    54    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    79   0.44750  1.0 1.0
   29    33    40    79  -0.17800 -1.0 2.0
   29    33    40    79   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    49   0.56750  1.0 1.0
   29    33    40    49  -0.07550 -1.0 2.0
   29    33    40    49   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    51   0.34400  1.0 1.0
   33    37    46    51   0.09450 -1.0 2.0
   33    37    46    51   0.11100  1.0 3.0
   33    40    49    50  -0.11600  1.0 1.0
   33    40    49    50  -0.09450 -1.0 2.0
   33    40    49    50   0.21250  1.0 3.0
   37    33    40    79   0.56750  1.0 1.0
   37    33    40    79  -0.07550 -1.0 2.0
   37    33    40    79   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    49   0.86500  1.0 1.0
   37    33    40    49  -0.17500 -1.0 2.0
   37    33    40    49   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    51    52   0.00000  1.0 1.0
   37    46    51    53   0.09850  1.0 1.0
   37    46    51    53   0.15250 -1.0 2.0
   37    46    51    53  -0.50650  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    51   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    51   0.15000  1.0 3.0
   46    51    53    54   7.00000 -1.0 2.0
   46    51    53    57   7.00000 -1.0 2.0
   47    46    51    52   0.33100  1.0 3.0
   47    46    51    53   0.00000  1.0 1.0
   48    46    51    52   0.33100  1.0 3.0
   48    46    51    53   0.00000  1.0 1.0
   51    53    54    55   0.00000  1.0 1.0
   51    53    54    56   0.00000  1.0 1.0
   51    53    54    61   0.09850  1.0 1.0
   51    53    54    61   0.15250 -1.0 2.0
   51    53    54    61  -0.50650  1.0 3.0
   51    53    57    58   0.00000  1.0 1.0
   51    53    57    59   0.00000  1.0 1.0
   51    53    57    60   0.00000  1.0 1.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    57   7.00000 -1.0 2.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.34400  1.0 1.0
   53    54    61    63   0.09450 -1.0 2.0
   53    54    61    63   0.11100  1.0 3.0
   53    54    61    65   0.61850  1.0 1.0
   53    54    61    65  -0.22750 -1.0 2.0
   53    54    61    65   0.15300  1.0 3.0
   54    53    57    58   0.34800  1.0 3.0
   54    53    57    59   0.34800  1.0 3.0
   54    53    57    60   0.34800  1.0 3.0
   54    61    63    64   0.15000  1.0 3.0
   54    61    63    66   0.34400  1.0 1.0
   54    61    63    66   0.09450 -1.0 2.0
   54    61    63    66   0.11100  1.0 3.0
   54    61    63    79   0.56750  1.0 1.0
   54    61    63    79  -0.07550 -1.0 2.0
   54    61    63    79   0.20000  1.0 3.0
   54    61    65    67  -0.25900  1.0 1.0
   54    61    65    67  -0.47000 -1.0 2.0
   54    61    65    67   0.11750  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    65   0.23400  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    65   0.23400  1.0 3.0
   61    63    66    69   0.09700  1.0 1.0
   61    63    66    69   0.15600 -1.0 2.0
   61    63    66    69  -0.50800  1.0 3.0
   61    63    66    71   0.09850  1.0 1.0
   61    63    66    71   0.15250 -1.0 2.0
   61    63    66    71  -0.50650  1.0 3.0
   61    63    79    78   0.62750  1.0 1.0
   61    63    79    78  -0.30950 -1.0 2.0
   61    63    79    78   0.27300  1.0 3.0
   61    63    79    80   0.15000  1.0 3.0
   61    63    79    40   0.56750  1.0 1.0
   61    63    79    40  -0.07550 -1.0 2.0
   61    63    79    40   0.20000  1.0 3.0
   61    65    67    68   3.00000 -1.0 2.0
   61    65    67    74   1.63150  1.0 1.0
   61    65    67    74   2.92000 -1.0 2.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    79   0.15000  1.0 3.0
   62    61    65    67   0.08050  1.0 3.0
   63    61    65    67  -0.25900  1.0 1.0
   63    61    65    67  -0.47000 -1.0 2.0
   63    61    65    67   0.11750  1.0 3.0
   63    66    69    70  -0.64400  1.0 1.0
   63    66    69    70   0.26850 -1.0 2.0
   63    66   -69    78  -0.15000  1.0 1.0
   63    66   -69    78   0.89550 -1.0 2.0
   63    66   -69    78  -0.06900  1.0 3.0
   63    66    71    72   7.00000 -1.0 2.0
   63    66    71    73   7.00000 -1.0 2.0
   63    79    40    33   0.56750  1.0 1.0
   63    79    40    33  -0.07550 -1.0 2.0
   63    79    40    33   0.20000  1.0 3.0
   63    79    40    41   0.15000  1.0 3.0
   63    79    40    49   0.86500  1.0 1.0
   63    79    40    49  -0.17500 -1.0 2.0
   63    79    40    49   0.20800  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    71   0.00000  1.0 1.0
   64    63    79    78   0.23400  1.0 3.0
   64    63    79    80   0.15000  1.0 3.0
   64    63    79    40   0.15000  1.0 3.0
   66    63   -79    78   0.61850  1.0 1.0
   66    63   -79    78  -0.22750 -1.0 2.0
   66    63   -79    78   0.15300  1.0 3.0
   66    63    79    80   0.15000  1.0 3.0
   66    63    79    40   0.34400  1.0 1.0
   66    63    79    40   0.09450 -1.0 2.0
   66    63    79    40   0.11100  1.0 3.0
   66    69   -78    79   2.00000 -1.0 2.0
   69    66    71    72   7.00000 -1.0 2.0
   69    66    71    73   7.00000 -1.0 2.0
   69    78   -79    63  -0.25900  1.0 1.0
   69    78   -79    63  -0.47000 -1.0 2.0
   69    78   -79    63   0.11750  1.0 3.0
   69    78    79    80   0.08050  1.0 3.0
   69    78    79    40  -0.25900  1.0 1.0
   69    78    79    40  -0.47000 -1.0 2.0
   69    78    79    40   0.11750  1.0 3.0
   70    69    78    79   3.00000 -1.0 2.0
   78    79    40    33   0.62750  1.0 1.0
   78    79    40    33  -0.30950 -1.0 2.0
   78    79    40    33   0.27300  1.0 3.0
   78    79    40    41   0.23400  1.0 3.0
   78    79    40    49   3.69350  1.0 1.0
   78    79    40    49  -1.82950 -1.0 2.0
   79    63   -66    69   0.09700  1.0 1.0
   79    63   -66    69   0.15600 -1.0 2.0
   79    63   -66    69  -0.50800  1.0 3.0
   79    63    66    71   0.09850  1.0 1.0
   79    63    66    71   0.15250 -1.0 2.0
   79    63    66    71  -0.50650  1.0 3.0
   79    40    49    50  -0.11600  1.0 1.0
   79    40    49    50  -0.09450 -1.0 2.0
   79    40    49    50   0.21250  1.0 3.0
   80    79    40    33   0.15000  1.0 3.0
   80    79    40    41   0.15000  1.0 3.0
   80    79    40    49   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    49    50   0.19450  1.0 3.0
   71    66    69    70   1.00000 -1.0 2.0
   71    66    69    78  -0.56150  1.0 1.0
   71    66    69    78   2.19150 -1.0 2.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    66   0.61850  1.0 1.0
   65    61    63    66  -0.22750 -1.0 2.0
   65    61    63    66   0.15300  1.0 3.0
   65    61    63    79   0.62750  1.0 1.0
   65    61    63    79  -0.30950 -1.0 2.0
   65    61    63    79   0.27300  1.0 3.0
   65    67    74    75   0.00000  1.0 1.0
   65    67    74    76   0.00000  1.0 1.0
   65    67    74    77   0.00000  1.0 1.0
   68    67    74    75   0.00000  1.0 1.0
   68    67    74    76   0.00000  1.0 1.0
   68    67    74    77   0.00000  1.0 1.0
   57    53    54    55   0.34800  1.0 3.0
   57    53    54    56   0.34800  1.0 3.0
   57    53    54    61   0.46850  1.0 1.0
   57    53    54    61   0.08550 -1.0 2.0
   57    53    54    61   0.09800  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    79   0.56750  1.0 1.0
   42    33    40    79  -0.07550 -1.0 2.0
   42    33    40    79   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    49   0.86500  1.0 1.0
   42    33    40    49  -0.17500 -1.0 2.0
   42    33    40    49   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   46    52    51    53   1.10000 -1.0 2.0
   54    57    53    51   1.10000 -1.0 2.0
   63    69    66    71   1.10000 -1.0 2.0
   66    78    69    70  10.50000 -1.0 2.0
   72    73    71    66   1.10000 -1.0 2.0
   65    74    67    68  10.50000 -1.0 2.0
END
