* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    148    232     450
    1     0 S   NP   _N1_     1    30.78289    97.60059   -14.66019
    2     1 S   H    _HN1     2     1.02765    57.33729  -111.31252
    3     1 S   H    _H1_     3     1.02949    76.65918    11.20345
    4     1 S   H    _H2_     4     1.02825    73.47979   123.76833
    5     1 S   CT   _CA1     5     1.50167   169.48371  -121.26181
    6     5 S   HC   _HA1     6     1.09587   105.10669   -52.73560
    7     5 S   CO3  _C1_     7     1.53852   112.49881  -172.50326
    8     7 S   O2Z  _O11     8     1.26365   115.03106   -38.37160
    9     7 S   O2Z  _O12     9     1.26296   114.93278   140.45167
   10     5 S   CT   _CB1    10     1.53108   107.35318    64.96952
   11    10 S   HC   HB11    11     1.09806   109.23553   -50.90837
   12    10 S   HC   HB12    12     1.09818   110.43084    65.69233
   13    10 S   CT   _CG1    13     1.52874   112.62216  -172.13563
   14    13 S   HC   HG11    14     1.09474   109.96550   -66.28371
   15    13 S   HC   HG12    15     1.09640   110.20726    52.86052
   16    13 S   C    _CD1    16     1.51772   112.73576   173.35619
   17    16 S   O    _OE1    17     1.22724   123.34300    -7.91425
   18    16 S   N    _N2_    18     1.38470   111.36660   172.37409
   19    18 S   H    _HN2    19     1.01667   118.91870     4.87669
   20    18 S   CT1  _CA2    20     1.45583   123.63630  -179.60883
   21    20 S   HC   _HA2    21     1.09704   109.21656     9.11031
   22    20 S   C    _C2_    22     1.52894   106.54336  -107.46571
   23    22 S   O    _O2_    23     1.22989   123.09604   -27.30589
   24    20 S   CT   _CB2    32     1.53298   112.21023   132.32534
   25    24 S   HC   HB21    33     1.09425   111.32879    49.74696
   26    24 S   HC   HB22    34     1.09569   109.74311   167.39877
   27    22 S   N    _N3_    24     1.38551   112.61847   154.89208
   28    27 S   H    _HN3    25     1.01646   120.32036    -0.96103
   29    24 S   S    _SG2    35     1.83031   112.30069   -74.93047
   30    27 S   CT   _CA3    26     1.45336   122.39040   178.75102
   31    30 S   HC   HA31    27     1.09568   107.52383   -61.67947
   32    30 S   HC   HA32    28     1.09569   107.86565    54.60302
   33    29 S   CT   _C14    36     1.85320   101.04628    88.35077
   34    33 S   HC   _H12    37     1.09255   107.51680   -27.85042
   35    30 S   CO3  _C3_    29     1.52869   114.46255   176.54339
   36    35 S   O2Z  _O31    30     1.26323   116.15820    -2.30783
   37    35 S   O2Z  _O32    31     1.26463   114.38459   177.80965
   38    33 S   CT   _C13    38     1.54586   107.80548  -146.02478
   39    38 S   HC   _H11    39     1.09806   109.78462   -54.96880
   40    38 S   CT   _C12    40     1.53525   112.09085  -175.46486
   41    40 S   HC   _H10    41     1.09588   110.27423   175.99523
   42    38 S   OH   _O38    80     1.42996   110.02822    63.11066
   43    42 S   HO   _H16    81     0.97179   107.80166   174.05558
   44    40 S   CT   _C11    42     1.53573   110.52209    53.98349
   45    44 S   HC   _H9_    43     1.09721   109.03257    63.74653
   46    40 S   OH   _O39    78     1.42807   108.60676   -68.72025
   47    46 S   HO   _H17    79     0.97409   108.34238   154.18447
   48    44 S   CT   _C10    44     1.53894   112.36701   -56.56682
   49    48 S   HC   _H8_    45     1.09715   110.28724   178.46227
   50    44 S   OH   _O40    76     1.42572   109.78603  -179.60042
   51    50 S   HO   _H18    77     0.97251   107.63780   -56.94652
   52    33 S   CT   _C15    46     1.55096   110.65066    92.51116
   53    52 S   HC   _H13    47     1.10116   108.16320    56.69153
   54    48 S   OS   _O34    52     1.43491   109.64441   -61.11320
   55    52 S   OS   _O35    48     1.43212   109.34238   -64.15940
   56    54 S   CO   _C9_    53     1.43025   114.37515   -99.86310
   57    56 S   HC   _H7_    54     1.09666   109.92973    32.03138
   58    55 S   PR   _P1_    49     1.62247   118.17266   147.76747
   59    58 S   OM   _O37    50     1.64106    97.61535  -177.20019
   60    58 S   OM   _O36    51     1.64109    98.36168   -78.06990
   61    56 S   CT   _C8_    55     1.54393   111.04231   151.22846
   62    61 S   HC   _H6_    56     1.09840   107.61272  -175.68961
   63    61 S   CT   _C7_    57     1.53662   111.38221    67.36468
   64    63 S   HC   _H5_    58     1.09667   111.03744   173.97039
   65    61 S   NTH2 _N4_    73     1.46360   111.34509   -57.64861
   66    65 S   H    _H19    74     1.01894   109.82863   -63.86131
   67    65 S   H    _H20    75     1.01939   110.29937   178.44556
   68    63 S   CT   _C6_    59     1.53483   108.90193    53.27277
   69    68 S   HC   _H4_    60     1.09709   107.66844    67.43273
   70    63 S   OH   _O41    71     1.42700   111.12982   -67.49384
   71    70 S   HO   _H21    72     0.97576   106.43890   -55.39313
   72    68 S   CT   _C5_    61     1.53713   111.19475   -52.51389
   73    72 S   HC   _H3_    62     1.09698   110.18032   -64.96567
   74    68 S   OH   _O42    69     1.42453   110.61018  -175.18615
   75    74 S   HO   _H22    70     0.97193   107.69544   -48.44557
   76    56 S   OS   _O33    63     1.43427   111.78839   -86.12129
   77    72 S   CT   _C4_    64     1.53220   112.63012   175.90672
   78    77 S   HC   _H14    65     1.09389   110.39342  -172.38465
   79    77 S   HC   _H15    66     1.09442   110.90585    66.58203
   80    77 S   OH   _O43    67     1.42500   110.78012   -53.66414
   81    80 S   HO   _H23    68     0.97234   106.65240  -177.46588
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  14   7  13   7   4   1  12   7   3   1  12
   6   3   1   7   3   9   3  14   6   2   1   1  13   8  14   7
   5   1   1  12   7   3   1   9   6   3   1   4   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    52    53    55    58    54    46    42    43  
   38    39    40    48    52    53    55    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    52    53    55    50    46    47    42    43  
   40    41    44    52    46    42    43  
   41    44    45    48    49    52    54    50    51    46    47    42    43  
   44    45    48    50    46    47    42  
   43    44    46    52  
    0  
   45    48    49    52    53    55    54    56    50    51    46    47  
   48    49    52    54    50    51    46  
   47    48    50  
    0  
   49    52    53    55    58    54    56    57    61    76    50    51  
   52    53    55    54    56    50  
   51    52    54  
    0  
   53    55    58    59    60    54    56  
   55    58    54  
   56    57    61    62    63    72    76    65    55  
   58    59    60  
   57    61    62    63    64    68    72    73    76    77    70    65    66    67  
   61    62    63    72    76    65  
   59    60  
   60  
    0  
   62    63    64    68    69    72    76    74    70    71    65    66    67  
   63    64    68    76    70    65    66    67  
   64    68    69    72    73    76    77    74    75    70    71    65    66    67  
   68    69    72    74    70    71    65  
   66    67    68    70    76  
   67  
    0  
   69    72    73    76    77    78    79    80    74    75    70    71  
   72    73    76    77    74    75    70  
   71    72    74  
    0  
   73    76    77    78    79    80    81    74    75  
   76    77    78    79    80    74  
   75    76    77  
    0  
   77    78    79    80  
   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   0.107500   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   59   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   61   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    52   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    54   320.000  1.410
   52    53   340.000  1.090
   52    55   320.000  1.410
   55    58   325.000  1.672
   58    59   325.000  1.672
   58    60   325.000  1.672
   54    56   320.000  1.380
   56    57   340.000  1.090
   56    61   250.000  1.527
   56    76   320.000  1.380
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   300.000  1.468
   63    64   340.000  1.090
   63    68   268.000  1.529
   63    70   320.000  1.410
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   320.000  1.410
   72    73   340.000  1.090
   72    76   320.000  1.410
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   320.000  1.410
   80    81   553.000  0.945
   74    75   553.000  0.945
   70    71   553.000  0.945
   65    66   495.000  1.019
   65    67   495.000  1.019
   50    51   553.000  0.945
   46    47   553.000  0.945
   42    43   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    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    52    48    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    55    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    52    58.35000  112.70000
   44    48    54    50.00000  109.50000
   44    50    51    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    55    50.00000  109.50000
   48    54    56    60.00000  109.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    55    58   100.00000  120.50000
   55    52    53    35.00000  109.50000
   55    58    59    45.00000  102.60000
   55    58    60    45.00000  102.60000
   60    58    59    35.00000   94.00000
   54    48    49    35.00000  109.50000
   54    48    52    50.00000  109.50000
   54    56    57    35.00000  109.50000
   54    56    61    90.00000  108.56700
   54    56    76    92.60000  111.55000
   56    61    62    45.00000  108.72000
   56    61    63    75.00000  109.43000
   56    61    65    80.00000  112.76400
   56    76    72    60.00000  109.50000
   61    56    57    45.00000  112.01100
   61    63    64    37.50000  110.70000
   61    63    68    58.35000  112.70000
   61    63    70    50.00000  109.50000
   61    65    66    50.00000  110.30900
   61    65    67    50.00000  110.30900
   63    61    62    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    72    58.35000  112.70000
   63    68    74    50.00000  109.50000
   63    70    71    55.00000  108.50000
   68    63    64    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    50.00000  109.50000
   68    72    77    58.35000  112.70000
   68    74    75    55.00000  108.50000
   72    68    69    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    80    50.00000  109.50000
   76    56    57    35.00000  109.50000
   76    56    61    90.00000  108.56700
   76    72    73    35.00000  109.50000
   77    72    73    37.50000  110.70000
   77    72    76    50.00000  109.50000
   77    80    81    55.00000  108.50000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   74    68    69    35.00000  109.50000
   74    68    72    50.00000  109.50000
   70    63    64    35.00000  109.50000
   70    63    68    50.00000  109.50000
   65    61    62    50.00000  110.79000
   65    61    63    80.00000  112.76400
   67    65    66    40.00000  106.77200
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    55   0.56750  1.0 1.0
   29    33    52    55  -0.07550 -1.0 2.0
   29    33    52    55   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    52    55    58  -2.65550  1.0 1.0
   33    52    55    58  -0.22350 -1.0 2.0
   33    52    55    58   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    52    48   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    55   0.23400  1.0 3.0
   38    33    52    48   0.56750  1.0 1.0
   38    33    52    48  -0.07550 -1.0 2.0
   38    33    52    48   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    55   0.62750  1.0 1.0
   38    33    52    55  -0.30950 -1.0 2.0
   38    33    52    55   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.86500  1.0 1.0
   38    40    44    50  -0.17500 -1.0 2.0
   38    40    44    50   0.20800  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    52   0.56750  1.0 1.0
   40    44    48    52  -0.07550 -1.0 2.0
   40    44    48    52   0.20000  1.0 3.0
   40    44    48    54   0.62750  1.0 1.0
   40    44    48    54  -0.30950 -1.0 2.0
   40    44    48    54   0.27300  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -52    33   0.56750  1.0 1.0
   44    48   -52    33  -0.07550 -1.0 2.0
   44    48   -52    33   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    55   0.62750  1.0 1.0
   44    48    52    55  -0.30950 -1.0 2.0
   44    48    52    55   0.27300  1.0 3.0
   44    48    54    56   0.06250  1.0 1.0
   44    48    54    56  -0.01100 -1.0 2.0
   44    48    54    56   0.28050  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   45    44    48    54   0.23400  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   48    44    50    51  -0.11600  1.0 1.0
   48    44    50    51  -0.09450 -1.0 2.0
   48    44    50    51   0.21250  1.0 3.0
   48    52    55    58  -2.65550  1.0 1.0
   48    52    55    58  -0.22350 -1.0 2.0
   48    52    55    58   0.24150  1.0 3.0
   48    54    56    57   0.37050  1.0 3.0
   48    54    56    61   0.06250  1.0 1.0
   48    54    56    61  -0.01100 -1.0 2.0
   48    54    56    61   0.28050  1.0 3.0
   48    54    56    76  -0.53350  1.0 1.0
   48    54    56    76  -0.78350 -1.0 2.0
   48    54    56    76   0.33750  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    55   0.23400  1.0 3.0
   49    48    54    56   0.37050  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.56750  1.0 1.0
   52    33   -38    40  -0.07550 -1.0 2.0
   52    33   -38    40   0.20000  1.0 3.0
   52    33    38    42   0.86500  1.0 1.0
   52    33    38    42  -0.17500 -1.0 2.0
   52    33    38    42   0.20800  1.0 3.0
   52    48    54    56   0.06250  1.0 1.0
   52    48    54    56  -0.01100 -1.0 2.0
   52    48    54    56   0.28050  1.0 3.0
   52    55    58    59   0.05050  1.0 1.0
   52    55    58    59  -1.30700 -1.0 2.0
   52    55    58    59   0.91550  1.0 3.0
   52    55    58    60   0.05050  1.0 1.0
   52    55    58    60  -1.30700 -1.0 2.0
   52    55    58    60   0.91550  1.0 3.0
   53    52    55    58   0.03000  1.0 3.0
   54    48    52    33   0.62750  1.0 1.0
   54    48    52    33  -0.30950 -1.0 2.0
   54    48    52    33   0.27300  1.0 3.0
   54    48    52    53   0.23400  1.0 3.0
   54    48    52    55   1.11900  1.0 1.0
   54    48    52    55  -1.16350 -1.0 2.0
   54    48    52    55  -0.34150  1.0 3.0
   54    56    61    62   0.23400  1.0 3.0
   54    56    61    63   0.62750  1.0 1.0
   54    56    61    63  -0.30950 -1.0 2.0
   54    56    61    63   0.27300  1.0 3.0
   54    56    61    65   3.18800  1.0 1.0
   54    56    61    65  -1.12350 -1.0 2.0
   54    56    76    72  -0.81800  1.0 1.0
   56    61    63    64   0.15000  1.0 3.0
   56    61    63    68   3.97050  1.0 1.0
   56    61    63    70   0.86500  1.0 1.0
   56    61    63    70  -0.17500 -1.0 2.0
   56    61    63    70   0.20800  1.0 3.0
   56    61    65    66   0.21650  1.0 1.0
   56    61    65    66   0.26250 -1.0 2.0
   56    61    65    66   0.12450  1.0 3.0
   56    61    65    67   0.21650  1.0 1.0
   56    61    65    67   0.26250 -1.0 2.0
   56    61    65    67   0.12450  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    65   0.15000  1.0 3.0
   57    56    76    72   0.37050  1.0 3.0
   61    56    76    72   0.06250  1.0 1.0
   61    56    76    72  -0.01100 -1.0 2.0
   61    56    76    72   0.28050  1.0 3.0
   61    63    68    69   0.15000  1.0 3.0
   61    63   -68    72   0.56750  1.0 1.0
   61    63   -68    72  -0.07550 -1.0 2.0
   61    63   -68    72   0.20000  1.0 3.0
   61    63    68    74   0.86500  1.0 1.0
   61    63    68    74  -0.17500 -1.0 2.0
   61    63    68    74   0.20800  1.0 3.0
   61    63    70    71  -0.11600  1.0 1.0
   61    63    70    71  -0.09450 -1.0 2.0
   61    63    70    71   0.21250  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    68   0.15000  1.0 3.0
   62    61    63    70   0.23400  1.0 3.0
   62    61    65    66   0.20000  1.0 3.0
   62    61    65    67   0.20000  1.0 3.0
   63    61    65    66   0.21650  1.0 1.0
   63    61    65    66   0.26250 -1.0 2.0
   63    61    65    66   0.12450  1.0 3.0
   63    61    65    67   0.21650  1.0 1.0
   63    61    65    67   0.26250 -1.0 2.0
   63    61    65    67   0.12450  1.0 3.0
   63    68    72    73   0.15000  1.0 3.0
   63    68    72    76   0.62750  1.0 1.0
   63    68    72    76  -0.30950 -1.0 2.0
   63    68    72    76   0.27300  1.0 3.0
   63    68    72    77   0.56750  1.0 1.0
   63    68    72    77  -0.07550 -1.0 2.0
   63    68    72    77   0.20000  1.0 3.0
   63    68    74    75  -0.11600  1.0 1.0
   63    68    74    75  -0.09450 -1.0 2.0
   63    68    74    75   0.21250  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    72   0.15000  1.0 3.0
   64    63    68    74   0.23400  1.0 3.0
   64    63    70    71   0.19450  1.0 3.0
   68    63    70    71  -0.11600  1.0 1.0
   68    63    70    71  -0.09450 -1.0 2.0
   68    63    70    71   0.21250  1.0 3.0
   68    72   -76    56   0.06250  1.0 1.0
   68    72   -76    56  -0.01100 -1.0 2.0
   68    72   -76    56   0.28050  1.0 3.0
   68    72    77    78   0.15000  1.0 3.0
   68    72    77    79   0.15000  1.0 3.0
   68    72    77    80   0.86500  1.0 1.0
   68    72    77    80  -0.17500 -1.0 2.0
   68    72    77    80   0.20800  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.23400  1.0 3.0
   69    68    72    77   0.15000  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75  -0.11600  1.0 1.0
   72    68    74    75  -0.09450 -1.0 2.0
   72    68    74    75   0.21250  1.0 3.0
   72    77    80    81  -0.11600  1.0 1.0
   72    77    80    81  -0.09450 -1.0 2.0
   72    77    80    81   0.21250  1.0 3.0
   73    72    76    56   0.37050  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    80   0.23400  1.0 3.0
   76    56    61    62   0.23400  1.0 3.0
   76    56   -61    63   0.62750  1.0 1.0
   76    56   -61    63  -0.30950 -1.0 2.0
   76    56   -61    63   0.27300  1.0 3.0
   76    56    61    65   3.18800  1.0 1.0
   76    56    61    65  -1.12350 -1.0 2.0
   76    72    77    78   0.23400  1.0 3.0
   76    72    77    79   0.23400  1.0 3.0
   76    72    77    80   3.69350  1.0 1.0
   76    72    77    80  -1.82950 -1.0 2.0
   77    72    76    56   0.06250  1.0 1.0
   77    72    76    56  -0.01100 -1.0 2.0
   77    72    76    56   0.28050  1.0 3.0
   78    77    80    81   0.19450  1.0 3.0
   79    77    80    81   0.19450  1.0 3.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76   3.69350  1.0 1.0
   74    68    72    76  -1.82950 -1.0 2.0
   74    68    72    77   0.86500  1.0 1.0
   74    68    72    77  -0.17500 -1.0 2.0
   74    68    72    77   0.20800  1.0 3.0
   70    63    68    69   0.23400  1.0 3.0
   70    63    68    72   0.86500  1.0 1.0
   70    63    68    72  -0.17500 -1.0 2.0
   70    63    68    72   0.20800  1.0 3.0
   70    63    68    74   3.75450  1.0 1.0
   65    61    63    64   0.15000  1.0 3.0
   65    61    63    68   1.85550  1.0 1.0
   65    61    63    68  -0.84100 -1.0 2.0
   65    61    63    70   5.28650  1.0 1.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    52   0.86500  1.0 1.0
   50    44    48    52  -0.17500 -1.0 2.0
   50    44    48    52   0.20800  1.0 3.0
   50    44    48    54   3.69350  1.0 1.0
   50    44    48    54  -1.82950 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
