* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    143    221     431
    1     0 S   NP   _N1_     1    29.24192    91.30540   -20.60248
    2     1 S   H    _HN1     2     1.03134   108.99051    47.54489
    3     1 S   H    _H1_     3     1.02930    14.18490   133.32177
    4     1 S   H    _H2_     4     1.02758    94.32846   -62.64125
    5     1 S   CT   _CA1     5     1.50650   120.69484   178.63084
    6     5 S   HC   _HA1     6     1.09706   104.47377    57.40126
    7     5 S   CO3  _C1_     7     1.54396   111.00096   -57.77955
    8     7 S   O2Z  _O11     8     1.25987   116.80219  -120.85353
    9     7 S   O2Z  _O12     9     1.26603   113.70217    58.36591
   10     5 S   CT   _CB1    10     1.53115   106.79683   172.96505
   11    10 S   HC   HB11    11     1.09821   109.33406   -44.43528
   12    10 S   HC   HB12    12     1.09717   110.34357    71.91864
   13    10 S   CT   _CG1    13     1.53075   112.96127  -165.64433
   14    13 S   HC   HG11    14     1.09413   110.65918   -61.72278
   15    13 S   HC   HG12    15     1.09619   110.32148    57.21305
   16    13 S   C    _CD1    16     1.51841   111.34364   176.22540
   17    16 S   O    _OE1    17     1.22822   122.54458   -32.50544
   18    16 S   N    _N2_    18     1.38541   112.54488   149.39852
   19    18 S   H    _HN2    19     1.01565   119.30439    -0.51358
   20    18 S   CT1  _CA2    20     1.46121   123.14074   179.82529
   21    20 S   HC   _HA2    21     1.09575   109.13682   -15.87631
   22    20 S   C    _C2_    22     1.53463   108.53669  -130.96530
   23    22 S   O    _O2_    23     1.23023   122.19648  -147.38942
   24    20 S   CT   _CB2    32     1.53488   111.92659   106.66850
   25    24 S   HC   HB21    33     1.09657   109.52545    60.24597
   26    24 S   HC   HB22    34     1.09569   110.92697   177.53685
   27    22 S   N    _N3_    24     1.38509   113.40522    40.16885
   28    27 S   H    _HN3    25     1.01534   118.91130    -0.69830
   29    24 S   S    _SG2    35     1.82830   114.85986   -59.65115
   30    27 S   CT   _CA3    26     1.45436   123.38631   174.89869
   31    30 S   HC   HA31    27     1.09526   109.19706    25.77217
   32    30 S   HC   HA32    28     1.09495   107.15871   142.76876
   33    29 S   CT   _C15    36     1.82745    99.80744   -69.67244
   34    33 S   HC   _H15    37     1.09443   108.02907   -58.87482
   35    33 S   HC   _H16    38     1.09291   108.20974    59.52328
   36    30 S   CO3  _C3_    29     1.52915   113.03236   -97.66001
   37    36 S   O2Z  _O31    30     1.26405   115.35746   -46.35549
   38    36 S   O2Z  _O32    31     1.26344   115.02082   134.52850
   39    33 S   CT   _C14    39     1.53508   110.88839  -179.83687
   40    39 S   HC   _H12    40     1.09863   109.77495    47.79624
   41    39 S   CT   _C13    41     1.54369   111.69029   168.38731
   42    41 S   HC   _H11    42     1.09627   110.68122   -64.92782
   43    41 S   CT   _C12    43     1.53502   109.71642   174.17439
   44    43 S   HC   _H10    44     1.09731   108.65488    67.90456
   45    41 S   OH   _O36    77     1.42804   111.08657    53.38352
   46    45 S   HO   _H17    78     0.97166   108.24131   -69.85644
   47    43 S   CT   _C11    45     1.53098   111.85715   -51.71645
   48    47 S   HC   _H9_    46     1.09563   110.78823   175.14643
   49    43 S   OH   _O37    75     1.42479   111.25934  -174.40560
   50    49 S   HO   _H18    76     0.97236   107.67772   -50.29215
   51    47 S   CO   _C10    47     1.53336   109.34145    52.84356
   52    51 S   HC   _H8_    48     1.09863   109.16560    63.04862
   53    47 S   OH   _O38    73     1.43074   110.54391   -67.62464
   54    53 S   HO   _H19    74     0.97339   106.92843   -42.24408
   55    39 S   OS   _O35    49     1.43648   108.01168   -70.44161
   56    51 S   OS1  _O34    50     1.43037   108.31992  -177.68455
   57    56 S   CO1  _C9_    51     1.43158   113.38750  -151.14428
   58    57 S   HC   _H7_    52     1.09786   107.97372    66.16266
   59    57 S   CT   _C8_    53     1.53286   107.01991  -175.37242
   60    59 S   HC   _H6_    54     1.09554   111.25559   -56.61374
   61    59 S   CT   _C7_    55     1.52837   110.30138   179.93744
   62    61 S   HC   _H5_    56     1.09706   109.81349    69.89899
   63    59 S   OH5  _O39    71     1.43450   109.05889    60.21021
   64    63 S   HO   _H20    72     0.97483   106.60916   -47.06587
   65    61 S   CT   _C6_    57     1.53312   111.25666   -51.31459
   66    65 S   HC   _H4_    58     1.09429   109.18212   -72.16217
   67    61 S   OH5  _O40    69     1.42745   110.17348  -172.64321
   68    67 S   HO   _H21    70     0.97243   107.56838   -56.36425
   69    65 S   CT   _C5_    59     1.53508   110.78943    49.54242
   70    69 S   HC   _H3_    60     1.09848   110.52650    66.19559
   71    65 S   OH5  _O41    67     1.42726   109.54430   171.15469
   72    71 S   HO   _H22    68     0.97217   108.24253   -59.93916
   73    57 S   OS1  _O33    61     1.42932   112.92384   -55.00845
   74    69 S   CT   _C4_    62     1.52933   111.67467  -173.28998
   75    74 S   HC   _H13    63     1.09455   111.02546    73.90299
   76    74 S   HC   _H14    64     1.09371   111.80249   -48.86404
   77    74 S   OH5  _O42    65     1.42570   108.79813  -167.63284
   78    77 S   HO   _H23    66     0.97246   106.89517  -173.48729
  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   7   5   4   3
  10   5   4   2   1   1  13   6  12   7  13   7   4   1  10   7
   3   1   9   4   3   1   2   8  13   6  12   7  13   7   4   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    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    55  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    51    55    45  
   35    39    40    41    55  
   39    40    41    55  
   37    38  
   38  
    0  
   40    41    42    43    44    47    51    52    55    56    49    45    46  
   41    42    43    51    55    45  
   42    43    44    47    48    51    55    53    49    50    45    46  
   43    44    47    55    49    45    46  
   44    47    48    51    52    55    56    53    54    49    50    45    46  
   47    48    51    53    49    50    45  
   46    47    49    55  
    0  
   48    51    52    55    56    57    53    54    49    50  
   51    52    55    56    53    54    49  
   50    51    53  
    0  
   52    55    56    57    58    59    73    53    54  
   55    56    57    53  
   54    55    56  
    0  
   56    57  
   57    58    59    60    61    69    73    63  
   58    59    60    61    62    65    69    70    73    74    67    63    64  
   59    60    61    69    73    63  
   60    61    62    65    66    69    73    71    67    68    63    64  
   61    62    65    73    67    63    64  
   62    65    66    69    70    73    74    71    72    67    68    63    64  
   65    66    69    71    67    68    63  
   64    65    67    73  
    0  
   66    69    70    73    74    75    76    77    71    72    67    68  
   69    70    73    74    71    72    67  
   68    69    71  
    0  
   70    73    74    75    76    77    78    71    72  
   73    74    75    76    77    71  
   72    73    74  
    0  
   74    75    76    77  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   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    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   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    55   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   250.000  1.527
   47    53   320.000  1.410
   51    52   340.000  1.090
   51    55   320.000  1.380
   51    56   320.000  1.380
   56    57   370.000  1.399
   57    58   360.000  1.097
   57    59   255.000  1.525
   57    73   370.000  1.399
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   355.000  1.421
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   335.000  1.422
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   355.000  1.421
   77    78   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   63    64   580.000  0.967
   53    54   553.000  0.945
   49    50   553.000  0.945
   45    46   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    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    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    55    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    55    51    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    51    75.00000  109.43000
   43    47    53    50.00000  109.50000
   43    49    50    55.00000  108.50000
   47    43    44    37.50000  110.70000
   47    51    52    45.00000  112.01100
   47    51    55    90.00000  108.56700
   47    51    56    90.00000  108.56700
   47    53    54    55.00000  108.50000
   51    47    48    45.00000  108.72000
   51    56    57    90.00000  112.10700
   55    39    40    35.00000  109.50000
   55    39    41    50.00000  109.50000
   55    51    52    35.00000  109.50000
   56    51    52    35.00000  109.50000
   56    51    55    92.60000  111.55000
   56    57    58    60.00000  105.75400
   56    57    59    90.00000  109.70700
   56    57    73   110.00000  113.16000
   57    59    60    45.00000  109.54000
   57    59    61    70.00000  111.10000
   57    59    63    90.00000  109.42000
   57    73    69    90.00000  112.10700
   59    57    58    45.00000  111.65000
   59    61    62    37.50000  110.70000
   59    61    65    58.35000  112.70000
   59    61    67    90.00000  111.45300
   59    63    64    65.00000  108.53500
   61    59    60    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    69    58.35000  112.70000
   61    65    71    90.00000  111.45300
   61    67    68    65.00000  108.53500
   65    61    62    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    95.00000  107.88500
   65    69    74    58.35000  112.70000
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    77    90.00000  111.45300
   73    57    58    60.00000  105.75400
   73    57    59    90.00000  109.70700
   73    69    70    55.00000  108.98800
   74    69    70    37.50000  110.70000
   74    69    73    95.00000  107.88500
   74    77    78    65.00000  108.53500
   76    74    75    33.00000  107.80000
   77    74    75    60.00000  109.39000
   77    74    76    60.00000  109.39000
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    61    62    60.00000  109.39000
   67    61    65    90.00000  111.45300
   63    59    60    60.00000  109.39000
   63    59    61    90.00000  111.45300
   53    47    48    35.00000  109.50000
   53    47    51    90.00000  111.58700
   49    43    44    35.00000  109.50000
   49    43    47    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    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    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   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    55    51   0.06250  1.0 1.0
   33    39    55    51  -0.01100 -1.0 2.0
   33    39    55    51   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    55   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    55   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    47   0.56750  1.0 1.0
   39    41    43    47  -0.07550 -1.0 2.0
   39    41    43    47   0.20000  1.0 3.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    55    51   0.37050  1.0 3.0
   41    39    55    51   0.06250  1.0 1.0
   41    39    55    51  -0.01100 -1.0 2.0
   41    39    55    51   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    51   3.97050  1.0 1.0
   41    43    47    53   0.86500  1.0 1.0
   41    43    47    53  -0.17500 -1.0 2.0
   41    43    47    53   0.20800  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    55   0.62750  1.0 1.0
   43    47    51    55  -0.30950 -1.0 2.0
   43    47    51    55   0.27300  1.0 3.0
   43    47    51    56   0.62750  1.0 1.0
   43    47    51    56  -0.30950 -1.0 2.0
   43    47    51    56   0.27300  1.0 3.0
   43    47    53    54  -0.11600  1.0 1.0
   43    47    53    54  -0.09450 -1.0 2.0
   43    47    53    54   0.21250  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    53   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51   -55    39   0.06250  1.0 1.0
   47    51   -55    39  -0.01100 -1.0 2.0
   47    51   -55    39   0.28050  1.0 3.0
   47    51    56    57   0.06250  1.0 1.0
   47    51    56    57  -0.01100 -1.0 2.0
   47    51    56    57   0.28050  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    55   0.23400  1.0 3.0
   48    47    51    56   0.23400  1.0 3.0
   48    47    53    54   0.19450  1.0 3.0
   51    47    53    54  -0.11600  1.0 1.0
   51    47    53    54  -0.09450 -1.0 2.0
   51    47    53    54   0.21250  1.0 3.0
   51    56    57    58   0.37050  1.0 3.0
   51    56    57    59   0.06250  1.0 1.0
   51    56    57    59  -0.01100 -1.0 2.0
   51    56    57    59   0.28050  1.0 3.0
   51    56    57    73  -0.12700  1.0 1.0
   51    56    57    73  -1.16200 -1.0 2.0
   51    56    57    73   0.58800  1.0 3.0
   52    51    55    39   0.37050  1.0 3.0
   52    51    56    57   0.37050  1.0 3.0
   55    39    41    42   0.23400  1.0 3.0
   55    39   -41    43   0.62750  1.0 1.0
   55    39   -41    43  -0.30950 -1.0 2.0
   55    39   -41    43   0.27300  1.0 3.0
   55    39    41    45   3.69350  1.0 1.0
   55    39    41    45  -1.82950 -1.0 2.0
   55    51    56    57  -0.53350  1.0 1.0
   55    51    56    57  -0.78350 -1.0 2.0
   55    51    56    57   0.33750  1.0 3.0
   56    51    55    39  -0.81800  1.0 1.0
   56    57    59    60   0.23400  1.0 3.0
   56    57    59    61   0.62750  1.0 1.0
   56    57    59    61  -0.30950 -1.0 2.0
   56    57    59    61   0.27300  1.0 3.0
   56    57    59    63   1.51850  1.0 1.0
   56    57    73    69  -0.70400  1.0 1.0
   56    57    73    69  -0.90350 -1.0 2.0
   57    59    61    62   0.15000  1.0 3.0
   57    59    61    65   0.56750  1.0 1.0
   57    59    61    65  -0.07550 -1.0 2.0
   57    59    61    65   0.20000  1.0 3.0
   57    59    61    67  -0.47750  1.0 1.0
   57    59    63    64   0.29150  1.0 1.0
   57    59    63    64  -0.28350 -1.0 2.0
   57    59    63    64   0.43600  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    63   0.23400  1.0 3.0
   58    57    73    69   0.37050  1.0 3.0
   59    57    73    69   0.06250  1.0 1.0
   59    57    73    69  -0.01100 -1.0 2.0
   59    57    73    69   0.28050  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61   -65    69   0.56750  1.0 1.0
   59    61   -65    69  -0.07550 -1.0 2.0
   59    61   -65    69   0.20000  1.0 3.0
   59    61    65    71  -0.47750  1.0 1.0
   59    61    67    68   0.29150  1.0 1.0
   59    61    67    68  -0.28350 -1.0 2.0
   59    61    67    68   0.43600  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    61    67   0.23400  1.0 3.0
   60    59    63    64   0.19450  1.0 3.0
   61    59    63    64   0.29150  1.0 1.0
   61    59    63    64  -0.28350 -1.0 2.0
   61    59    63    64   0.43600  1.0 3.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    73   0.62750  1.0 1.0
   61    65    69    73  -0.30950 -1.0 2.0
   61    65    69    73   0.27300  1.0 3.0
   61    65    69    74   0.56750  1.0 1.0
   61    65    69    74  -0.07550 -1.0 2.0
   61    65    69    74   0.20000  1.0 3.0
   61    65    71    72   0.29150  1.0 1.0
   61    65    71    72  -0.28350 -1.0 2.0
   61    65    71    72   0.43600  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    69   0.15000  1.0 3.0
   62    61    65    71   0.23400  1.0 3.0
   62    61    67    68   0.19450  1.0 3.0
   65    61    67    68   0.29150  1.0 1.0
   65    61    67    68  -0.28350 -1.0 2.0
   65    61    67    68   0.43600  1.0 3.0
   65    69   -73    57   0.06250  1.0 1.0
   65    69   -73    57  -0.01100 -1.0 2.0
   65    69   -73    57   0.28050  1.0 3.0
   65    69    74    75   0.15000  1.0 3.0
   65    69    74    76   0.15000  1.0 3.0
   65    69    74    77  -0.47750  1.0 1.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.23400  1.0 3.0
   66    65    69    74   0.15000  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    74    77    78   0.29150  1.0 1.0
   69    74    77    78  -0.28350 -1.0 2.0
   69    74    77    78   0.43600  1.0 3.0
   70    69    73    57   0.37050  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    76   0.15000  1.0 3.0
   70    69    74    77   0.23400  1.0 3.0
   73    57    59    60   0.23400  1.0 3.0
   73    57   -59    61   0.62750  1.0 1.0
   73    57   -59    61  -0.30950 -1.0 2.0
   73    57   -59    61   0.27300  1.0 3.0
   73    57    59    63   1.51850  1.0 1.0
   73    69    74    75   0.23400  1.0 3.0
   73    69    74    76   0.23400  1.0 3.0
   73    69    74    77   1.51850  1.0 1.0
   74    69    73    57   0.06250  1.0 1.0
   74    69    73    57  -0.01100 -1.0 2.0
   74    69    73    57   0.28050  1.0 3.0
   75    74    77    78   0.19450  1.0 3.0
   76    74    77    78   0.19450  1.0 3.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73   1.51850  1.0 1.0
   71    65    69    74  -0.47750  1.0 1.0
   67    61    65    66   0.23400  1.0 3.0
   67    61    65    69  -0.47750  1.0 1.0
   67    61    65    71   3.77950  1.0 1.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    65  -0.47750  1.0 1.0
   63    59    61    67   3.77950  1.0 1.0
   53    47    51    52   0.23400  1.0 3.0
   53    47    51    55   3.69350  1.0 1.0
   53    47    51    55  -1.82950 -1.0 2.0
   53    47    51    56   3.69350  1.0 1.0
   53    47    51    56  -1.82950 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   0.86500  1.0 1.0
   49    43    47    51  -0.17500 -1.0 2.0
   49    43    47    51   0.20800  1.0 3.0
   49    43    47    53   3.75450  1.0 1.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   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
   37    30    36    38  10.50000 -1.0 2.0
END
