* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    146    207     417
    1     0 S   NP   _N1_     1    28.73867    94.44603   -21.92736
    2     1 S   H    _HN1     2     1.02962    87.81942     1.54877
    3     1 S   H    _H1_     3     1.02836    29.97733   132.30565
    4     1 S   H    _H2_     4     1.02775    93.33234  -106.69794
    5     1 S   CT   _CA1     5     1.50132   140.37385   121.59130
    6     5 S   HC   _HA1     6     1.09572   105.24144    64.84024
    7     5 S   CO3  _C1_     7     1.53781   112.33509   -55.40154
    8     7 S   O2Z  _O11     8     1.26363   114.99030   -44.11467
    9     7 S   O2Z  _O12     9     1.26234   114.91969   134.98688
   10     5 S   CT   _CB1    10     1.53071   107.41423  -177.22999
   11    10 S   HC   HB11    11     1.09822   109.33995   -50.42487
   12    10 S   HC   HB12    12     1.09810   110.37184    66.11001
   13    10 S   CT   _CG1    13     1.53038   112.72947  -171.61025
   14    13 S   HC   HG11    14     1.09592   110.39373   -63.47590
   15    13 S   HC   HG12    15     1.09635   110.08674    55.80568
   16    13 S   C    _CD1    16     1.51762   112.15613   176.03726
   17    16 S   O    _OE1    17     1.22765   123.22412    -5.61220
   18    16 S   N    _N2_    18     1.38604   111.88565   174.58905
   19    18 S   H    _HN2    19     1.01590   119.24574     4.15473
   20    18 S   CT1  _CA2    20     1.45813   122.64421  -179.80617
   21    20 S   HC   _HA2    21     1.09486   109.63284    15.33289
   22    20 S   C    _C2_    22     1.52731   105.30349  -101.40393
   23    22 S   O    _O2_    23     1.22935   122.57952   -89.16182
   24    20 S   CT   _CB2    32     1.53328   111.82999   138.24779
   25    24 S   HC   HB21    33     1.09627   110.23968    58.01309
   26    24 S   HC   HB22    34     1.09568   110.89241   176.00924
   27    22 S   N    _N3_    24     1.38535   112.67008    87.29632
   28    27 S   H    _HN3    25     1.01467   119.48334     1.72033
   29    24 S   S    _SG2    35     1.82802   113.19000   -61.01750
   30    27 S   CT   _CA3    26     1.45394   123.08197   177.35026
   31    30 S   HC   HA31    27     1.09533   108.92264    30.82093
   32    30 S   HC   HA32    28     1.09481   107.13499   147.97891
   33    29 S   CT   _C20    36     1.82172   100.21873   -74.37333
   34    33 S   HC   _H27    37     1.08745   108.67907    29.53553
   35    33 S   HC   _H28    38     1.09385   109.36278   -89.30960
   36    30 S   CO3  _C3_    29     1.53081   113.79549   -92.08135
   37    36 S   O2Z  _O31    30     1.26351   115.99690   -26.76606
   38    36 S   O2Z  _O32    31     1.26438   114.55692   154.03553
   39    33 S   C    _C19    39     1.52351   110.25954   151.45107
   40    39 S   O    _O34    40     1.23498   121.23386    30.19701
   41    39 S   N    _N4_    41     1.40121   116.03612  -150.95022
   42    41 S   CA   _C9_    42     1.42663   118.49525   173.96798
   43    41 S   CO   _C8_    65     1.46725   125.31485    -4.25915
   44    43 S   HC   _H12    66     1.09547   108.97227   -39.63014
   45    43 S   HC   _H13    67     1.09613   110.43777  -159.31973
   46    42 S   CA   _C10    43     1.41564   119.88098   -77.24287
   47    43 S   OS   _O33    68     1.42380   108.65229    80.49015
   48    46 S   CA   _C11    44     1.40526   118.71768   178.89677
   49    48 S   HA   _H14    45     1.08789   120.15396  -180.00000
   50    46 S   CT   _C17    58     1.51447   123.53355    -2.74752
   51    50 S   HC   _H22    59     1.09334   111.85823    17.05114
   52    50 S   HC   _H23    60     1.09744   108.80837   133.07727
   53    47 S   CT   _C7_    69     1.42547   111.94402  -177.21329
   54    53 S   HC   _H10    70     1.09600   109.44723    60.02349
   55    53 S   HC   _H11    71     1.09590   109.61042   -59.65828
   56    48 S   CA   _C12    46     1.39166   121.05017     0.23490
   57    56 S   HA   _H15    47     1.08617   120.00972  -179.94405
   58    50 S   CT   _C18    61     1.52349   112.12067  -105.60663
   59    58 S   HC   _H24    62     1.09505   111.48216   -62.55037
   60    58 S   HC   _H25    63     1.09434   110.23248   177.86687
   61    58 S   HC   _H26    64     1.09445   111.40210    57.79731
   62    53 S   CT   _C6_    72     1.52311   107.97202  -179.90513
   63    62 S   HC   _H8_    73     1.09722   109.39196    58.81399
   64    62 S   HC   _H9_    74     1.09549   109.10116   -56.44721
   65    56 S   CA   _C13    48     1.39138   119.95807    -0.23573
   66    65 S   HA   _H16    49     1.08783   118.83321  -179.11375
   67    62 S   CT   _C5_    75     1.52508   111.88066  -178.64954
   68    67 S   HC   _H6_    76     1.09602   109.90852    57.46113
   69    67 S   HC   _H7_    77     1.09613   109.86001   -60.26443
   70    42 S   CA   _C14    50     1.41552   119.64213   101.74157
   71    67 S   CT   _C4_    78     1.52031   111.39938   178.54371
   72    71 S   HC   _H3_    79     1.09467   110.98574    60.49338
   73    71 S   HC   _H4_    80     1.09444   110.26786  -179.74283
   74    71 S   HC   _H5_    81     1.09466   111.02690   -59.98866
   75    70 S   CT   _C15    51     1.51325   123.32291    -2.27606
   76    75 S   HC   _H17    52     1.09371   111.40830    30.87945
   77    75 S   HC   _H18    53     1.09753   109.16332   146.58919
   78    75 S   CT   _C16    54     1.52199   112.01417   -92.16502
   79    78 S   HC   _H19    55     1.09520   111.36738   -59.42833
   80    78 S   HC   _H20    56     1.09465   110.14439  -179.16937
   81    78 S   HC   _H21    57     1.09436   111.43671    61.03594
  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   6   5   4   3
   7   4   3   2   1   1   9   3  12  19   9   3   2  14   7  10
   4   8   5   4   9   5   4   5   3   3   2   1   1   9   5   4
   6   2   6   5   4   7   3   2   1   1   6   5   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    46    70    43    44    45    47  
   41    42    43  
   42    46    48    65    70    75    50    43    44    45    47    53  
   46    48    49    56    65    66    70    75    76    77    78    50    51    52    58    43    44    45    47  
   44    45    47    53    54    55    62    46    70  
   45    47    53  
   47    53  
   48    49    56    57    65    70    75    50    51    52    58    59    60    61  
   53    54    55    62    63    64    67  
   49    56    57    65    66    70    50    51    52    58  
   56    57    65    50  
   51    52    58    59    60    61    56    70  
   52    58    59    60    61  
   58    59    60    61  
   54    55    62    63    64    67    68    69    71  
   55    62    63    64    67  
   62    63    64    67  
   57    65    66    70    75  
   65    66    70  
   59    60    61  
   60    61  
   61  
    0  
   63    64    67    68    69    71    72    73    74  
   64    67    68    69    71  
   67    68    69    71  
   66    70    75    76    77    78  
   70    75  
   68    69    71    72    73    74  
   69    71    72    73    74  
   71    72    73    74  
   75    76    77    78    79    80    81  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    80    81  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   41   3.2500   0.1700  -0.084200   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660  -0.005000   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.522
   39    40   570.000  1.229
   39    41   490.000  1.335
   41    42   360.000  1.404
   41    43   330.000  1.432
   42    46   469.000  1.400
   42    70   469.000  1.400
   46    48   469.000  1.400
   46    50   317.000  1.510
   48    49   367.000  1.080
   48    56   469.000  1.400
   56    57   367.000  1.080
   56    65   469.000  1.400
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   320.000  1.380
   47    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    70.00000  112.33000
   33    39    40    80.00000  120.40000
   33    39    41    70.00000  116.60000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    65.00000  121.96500
   39    41    43    70.00000  119.07700
   41    39    40    80.00000  122.90000
   41    42    46    70.00000  119.01900
   41    42    70    70.00000  119.01900
   41    43    44    50.00000  107.83200
   41    43    45    50.00000  107.83200
   41    43    47   100.00000  108.51700
   42    46    48    63.00000  120.00000
   42    46    50    70.00000  120.00000
   42    70    65    63.00000  120.00000
   42    70    75    70.00000  120.00000
   46    48    49    35.00000  120.00000
   46    48    56    63.00000  120.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    58    70.00000  112.17500
   48    56    57    35.00000  120.00000
   48    56    65    63.00000  120.00000
   56    48    49    35.00000  120.00000
   56    65    66    35.00000  120.00000
   56    65    70    63.00000  120.00000
   65    56    57    35.00000  120.00000
   65    70    75    70.00000  120.00000
   70    42    46    63.00000  120.00000
   70    65    66    35.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    70.00000  112.17500
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   50    46    48    70.00000  120.00000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   52    50    51    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    52    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   43    41    42    70.00000  121.06000
   43    47    53    60.00000  109.50000
   45    43    44    33.00000  109.50000
   47    43    44    35.00000  109.50000
   47    43    45    35.00000  109.50000
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   47    53    62    50.00000  109.50000
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    71    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   69    67    68    33.00000  107.80000
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.00000  1.0 1.0
   33    39    41    42   0.76000  1.0 1.0
   33    39    41    42   4.11600 -1.0 2.0
   33    39    41    43   1.49850  1.0 1.0
   33    39    41    43   1.53950 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    42    46   1.00100  1.0 1.0
   39    41    42    46   0.85050 -1.0 2.0
   39    41    42    70   1.00100  1.0 1.0
   39    41    42    70   0.85050 -1.0 2.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    45   0.00000  1.0 1.0
   39    41    43    47  -2.75650  1.0 1.0
   39    41    43    47  -1.18150 -1.0 2.0
   39    41    43    47   0.81900  1.0 3.0
   40    39    41    42   0.04000 -1.0 2.0
   40    39    41    43   3.04450 -1.0 2.0
   41    42    46    48   3.62500 -1.0 2.0
   41    42    46    50   3.62500 -1.0 2.0
   41    42    70    65   3.62500 -1.0 2.0
   41    42    70    75   3.62500 -1.0 2.0
   41    43    47    53  -2.37750  1.0 1.0
   41    43    47    53  -0.08150 -1.0 2.0
   41    43    47    53   0.59000  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    47   0.17850 -1.0 2.0
   42    46    48    49   3.62500 -1.0 2.0
   42    46    48    56   3.62500 -1.0 2.0
   42    46    50    51   0.00000  1.0 1.0
   42    46    50    52   0.00000  1.0 1.0
   42    46    50    58   0.04150 -1.0 2.0
   42    70    75    76   0.00000  1.0 1.0
   42    70    75    77   0.00000  1.0 1.0
   42    70    75    78   0.04150 -1.0 2.0
   46    42    70    65   3.62500 -1.0 2.0
   46    42    70    75   3.62500 -1.0 2.0
   46    48    56    57   3.62500 -1.0 2.0
   46    48   -56    65   3.62500 -1.0 2.0
   46    50    58    59   0.43200  1.0 3.0
   46    50    58    60   0.43200  1.0 3.0
   46    50    58    61   0.43200  1.0 3.0
   48    46    50    51   0.00000  1.0 1.0
   48    46    50    52   0.00000  1.0 1.0
   48    46    50    58   0.04150 -1.0 2.0
   48    56    65    66   3.62500 -1.0 2.0
   48    56    65    70   3.62500 -1.0 2.0
   49    48    56    57   3.62500 -1.0 2.0
   49    48    56    65   3.62500 -1.0 2.0
   56    65   -70    42   3.62500 -1.0 2.0
   56    65    70    75   3.62500 -1.0 2.0
   57    56    65    66   3.62500 -1.0 2.0
   57    56    65    70   3.62500 -1.0 2.0
   65    70    75    76   0.00000  1.0 1.0
   65    70    75    77   0.00000  1.0 1.0
   65    70    75    78   0.04150 -1.0 2.0
   66    65    70    42   3.62500 -1.0 2.0
   66    65    70    75   3.62500 -1.0 2.0
   70    42   -46    48   3.62500 -1.0 2.0
   70    42    46    50   3.62500 -1.0 2.0
   70    75    78    79   0.43200  1.0 3.0
   70    75    78    80   0.43200  1.0 3.0
   70    75    78    81   0.43200  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   50    46    48    49   3.62500 -1.0 2.0
   50    46    48    56   3.62500 -1.0 2.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   52    50    58    59   0.15000  1.0 3.0
   52    50    58    60   0.15000  1.0 3.0
   52    50    58    61   0.15000  1.0 3.0
   43    41    42    46   0.81400  1.0 1.0
   43    41    42    46   1.55550 -1.0 2.0
   43    41    42    70   0.81400  1.0 1.0
   43    41    42    70   1.55550 -1.0 2.0
   43    47    53    54   0.37050  1.0 3.0
   43    47    53    55   0.37050  1.0 3.0
   43    47    53    62   0.06250  1.0 1.0
   43    47    53    62  -0.01100 -1.0 2.0
   43    47    53    62   0.28050  1.0 3.0
   44    43    47    53   0.37050  1.0 3.0
   45    43    47    53   0.37050  1.0 3.0
   47    53    62    63   0.23400  1.0 3.0
   47    53    62    64   0.23400  1.0 3.0
   47    53    62    67   0.62750  1.0 1.0
   47    53    62    67  -0.30950 -1.0 2.0
   47    53    62    67   0.27300  1.0 3.0
   53    62    67    68   0.15000  1.0 3.0
   53    62    67    69   0.15000  1.0 3.0
   53    62    67    71   0.56750  1.0 1.0
   53    62    67    71  -0.07550 -1.0 2.0
   53    62    67    71   0.20000  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    64   0.15000  1.0 3.0
   54    53    62    67   0.15000  1.0 3.0
   55    53    62    63   0.15000  1.0 3.0
   55    53    62    64   0.15000  1.0 3.0
   55    53    62    67   0.15000  1.0 3.0
   62    67    71    72   0.15000  1.0 3.0
   62    67    71    73   0.15000  1.0 3.0
   62    67    71    74   0.15000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    71   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    71   0.15000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    73   0.15000  1.0 3.0
   69    67    71    74   0.15000  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
   37    30    36    38  10.50000 -1.0 2.0
   33    41    39    40  10.50000 -1.0 2.0
   43    39    41    42   1.00000 -1.0 2.0
   46    70    42    41   4.00000 -1.0 2.0
   48    50    46    42   4.00000 -1.0 2.0
   56    49    48    46   1.10000 -1.0 2.0
   65    57    56    48   1.10000 -1.0 2.0
   70    66    65    56   1.10000 -1.0 2.0
   65    75    70    42   4.00000 -1.0 2.0
END
