* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    148    241     449
    1     0 S   NP   _N1_     1    29.03467    95.46635   -24.19113
    2     1 S   H    _HN1     2     1.02785   109.95890   -94.69070
    3     1 S   H    _H1_     3     1.02951    77.73565    10.61248
    4     1 S   H    _H2_     4     1.02829    30.63684   173.70614
    5     1 S   CT   _CA1     5     1.50111   131.08850   117.10760
    6     5 S   HC   _HA1     6     1.09572   105.20856    86.30927
    7     5 S   CO3  _C1_     7     1.53789   112.44126   -33.94213
    8     7 S   O2Z  _O11     8     1.26371   115.00604   -43.01994
    9     7 S   O2Z  _O12     9     1.26238   114.94527   136.13386
   10     5 S   CT   _CB1    10     1.53081   107.42130  -155.71073
   11    10 S   HC   HB11    11     1.09832   109.37706   -49.85677
   12    10 S   HC   HB12    12     1.09815   110.44323    66.74473
   13    10 S   CT   _CG1    13     1.52990   112.61174  -170.85033
   14    13 S   HC   HG11    14     1.09584   110.60156   -65.12646
   15    13 S   HC   HG12    15     1.09667   109.83032    54.11975
   16    13 S   C    _CD1    16     1.51783   112.23474   174.55813
   17    16 S   O    _OE1    17     1.22732   123.29476     5.31913
   18    16 S   N    _N2_    18     1.38657   111.67765  -174.80533
   19    18 S   H    _HN2    19     1.01588   118.98253     1.69327
   20    18 S   CT1  _CA2    20     1.46076   123.33110   177.93058
   21    20 S   HC   _HA2    21     1.09592   109.31875     0.85226
   22    20 S   C    _C2_    22     1.53524   108.89970  -114.24973
   23    22 S   O    _O2_    23     1.23063   122.18862  -149.47398
   24    20 S   CT   _CB2    32     1.53288   111.68558   123.23996
   25    24 S   HC   HB21    33     1.09650   109.71496    61.67802
   26    24 S   HC   HB22    34     1.09571   110.91268   179.08721
   27    22 S   N    _N3_    24     1.38302   113.73500    38.08325
   28    27 S   H    _HN3    25     1.01594   119.57475    -3.55275
   29    24 S   S    _SG2    35     1.82905   114.57895   -58.27055
   30    27 S   CT   _CA3    26     1.45284   123.20383   176.97767
   31    30 S   HC   HA31    27     1.09550   107.53648   -63.86564
   32    30 S   HC   HA32    28     1.09556   107.95489    52.56760
   33    29 S   CT   _C18    36     1.83519    99.84038   -64.95490
   34    33 S   HC   _H3_    37     1.09038   107.36952   -46.47870
   35    33 S   HC   _H4_    38     1.09404   106.08851    69.30348
   36    30 S   CO3  _C3_    29     1.52954   114.07893   174.54695
   37    36 S   O2Z  _O31    30     1.26376   116.05892    -0.57607
   38    36 S   O2Z  _O32    31     1.26426   114.41395   179.47885
   39    33 S   CT   _C14    39     1.55620   113.09343  -171.50830
   40    39 S   CT   _C9_    40     1.53475   114.75768    59.04055
   41    40 S   HC   _H27    41     1.09295   113.64144   -50.66114
   42    39 S   OH   _O21    77     1.41966   105.42908   -63.18825
   43    42 S   HO   _H43    78     0.97339   107.69117    62.17652
   44    40 S   CT   _C10    42     1.53124   102.60923    69.63913
   45    44 S   HC   _H28    43     1.09655   109.78567   -82.37564
   46    40 S   OS   _O17    63     1.43250   109.73146  -168.27376
   47    44 S   CT   _C11    44     1.54462   104.56849    36.13981
   48    47 S   HC   _H29    45     1.08852   110.60288   118.40544
   49    44 S   OH   _O19    75     1.41628   112.19415   158.94864
   50    49 S   HO   _H41    76     0.97229   107.70026  -178.07970
   51    39 S   CT   _C13    46     1.58516   114.38733   171.80248
   52    47 S   OH   _O20    73     1.42544   109.23003  -125.83209
   53    52 S   HO   _H42    74     0.97267   107.73411   -62.47474
   54    51 S   CT   _C12    47     1.63336   111.53795   170.54994
   55    51 S   CT   _C16    69     1.53914   111.46940    44.30750
   56    55 S   HC   _H33    70     1.09348   111.44674    58.92820
   57    55 S   HC   _H34    71     1.09484   112.36296   -59.94395
   58    55 S   HC   _H35    72     1.09283   112.04615  -179.01424
   59    54 S   CT   _C7_    48     1.56298   107.53770    53.99114
   60    59 S   HC   _H25    49     1.09638   108.67738    81.00729
   61    54 S   CT   _C17    64     1.58100   109.44576   173.28805
   62    61 S   HC   _H36    65     1.09371   111.14903    65.42812
   63    61 S   HC   _H37    66     1.08974   112.40548   -54.57659
   64    59 S   CM   _C4_    50     1.50370   115.89718  -160.60443
   65    64 S   HC   _H24    51     1.08876   115.07276  -166.92564
   66    61 S   OH   _O22    67     1.42227   113.20926  -174.15722
   67    66 S   HO   _H44    68     0.97258   107.24491  -176.62954
   68    64 S   CM   _C5_    52     1.33941   126.46705    12.18767
   69    68 S   CO4  _C6_    53     1.48786   118.39210     1.61641
   70    69 S   O    _O16    54     1.23133   120.14775  -171.17601
   71    68 S   CT   _C15    59     1.49506   123.72615  -177.72617
   72    71 S   HC   _H30    60     1.09489   110.49574   118.43538
   73    71 S   HC   _H31    61     1.09512   111.93969    -1.53429
   74    71 S   HC   _H32    62     1.09490   110.42733  -121.43627
   75    54 S   CT   _C8_    55     1.56652   114.46655   -66.72321
   76    75 S   HC   _H26    56     1.08716   112.84656    51.45979
   77    75 S   OH   _O18    57     1.42275   111.36991   -68.69470
   78    77 S   HO   _H40    58     0.97325   107.38730   178.38954
  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
  13   5   4   2   1   1  20  17   8   7   1  12   7  11  14   6
   3   1  18   3   1  20   6   2   1   1  13   5   9   4   3   9
   3   2   1   9   9   4   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    51    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    47    51    54    46    55    42    43  
   35    39    40    51    42  
   39    40    51    42  
   37    38  
   38  
    0  
   40    41    44    45    47    48    51    54    59    75    46    61    55    56    57    58    52    49    42    43  
   41    44    45    47    48    51    54    59    60    64    46    55    52    49    50    42    43  
   44    45    47    51    59    46    49    42  
   43    44    46    47    51    54    55  
   51  
   45    47    48    51    54    59    46    55    52    53    49    50  
   47    48    51    46    52    49    50  
   61    49    47    51    54    59    60    64    65    68    75  
   48    51    54    59    75    61    55    56    57    58    52    53    49    50  
   51    54    55    52    53    49  
   50    51    52  
    0  
   54    59    60    64    69    75    76    77    61    62    63    66    55    56    57    58    52    53  
   53    54    55  
    0  
   59    60    64    65    68    69    70    75    76    77    78    61    62    63    66    67    55    56    57    58  
   56    57    58    59    61    75  
   57    58  
   58  
    0  
   60    64    65    68    69    75    76    77    71    61    62    63    66  
   64    65    68    75    61  
   62    63    66    67    64    69    75    76    77  
   63    66    67    75  
   66    67    75  
   65    68    69    70    75    71    72    73    74  
   68    69    71  
   67    75  
    0  
   69    70    75    76    77    71    72    73    74  
   70    75    76    77    78    71    72    73    74  
   75    76    77    71  
   72    73    74    75  
   73    74  
   74  
    0  
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   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   268.000  1.529
   39    51   268.000  1.529
   39    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    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    52   320.000  1.410
   51    54   268.000  1.529
   51    55   268.000  1.529
   54    59   268.000  1.529
   54    75   268.000  1.529
   54    61   268.000  1.529
   59    60   340.000  1.090
   59    64   317.000  1.510
   59    46   320.000  1.410
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    69   320.000  1.462
   68    71   317.000  1.510
   69    70   570.000  1.229
   69    75   317.000  1.522
   75    76   340.000  1.090
   75    77   320.000  1.410
   77    78   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   320.000  1.410
   66    67   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   52    53   553.000  0.945
   49    50   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    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    58.35000  112.70000
   33    39    51    58.35000  112.70000
   33    39    42    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    40    41    37.50000  110.70000
   39    40    44    58.35000  112.70000
   39    40    46    50.00000  109.50000
   39    51    47    58.35000  112.70000
   39    51    54    58.35000  112.70000
   39    51    55    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    59    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    51    58.35000  112.70000
   44    47    52    50.00000  109.50000
   44    49    50    55.00000  108.50000
   47    44    45    37.50000  110.70000
   47    51    54    58.35000  112.70000
   47    51    55    58.35000  112.70000
   47    52    53    55.00000  108.50000
   51    39    40    58.35000  112.70000
   51    47    48    37.50000  110.70000
   51    54    59    58.35000  112.70000
   51    54    75    58.35000  112.70000
   51    54    61    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    64    70.00000  112.02700
   54    59    46    50.00000  109.50000
   54    75    69    63.00000  111.10000
   54    75    76    37.50000  110.70000
   54    75    77    50.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    66    50.00000  109.50000
   59    64    65    35.00000  117.00000
   59    64    68    70.00000  124.00000
   64    59    60    35.00000  109.50000
   64    68    69    65.00000  118.96000
   64    68    71    70.00000  124.00000
   68    64    65    35.00000  120.00000
   68    69    70    80.00000  123.72100
   68    69    75    65.00000  118.62400
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   69    75    76    35.00000  109.50000
   69    75    77    90.00000  109.61100
   75    54    59    58.35000  112.70000
   75    69    70    80.00000  120.40000
   75    77    78    55.00000  108.50000
   77    75    76    35.00000  109.50000
   71    68    69    65.00000  116.34900
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    59    60    35.00000  109.50000
   46    59    64    85.00000  110.90400
   61    54    59    58.35000  112.70000
   61    54    75    58.35000  112.70000
   61    66    67    55.00000  108.50000
   63    61    62    33.00000  107.80000
   66    61    62    35.00000  109.50000
   66    61    63    35.00000  109.50000
   55    51    54    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    51    50.00000  109.50000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   42    39    40    50.00000  109.50000
   42    39    51    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   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    51   0.44750  1.0 1.0
   29    33    39    51  -0.17800 -1.0 2.0
   29    33    39    51   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    44   0.56750  1.0 1.0
   33    39    40    44  -0.07550 -1.0 2.0
   33    39    40    44   0.20000  1.0 3.0
   33    39    40    46   0.62750  1.0 1.0
   33    39    40    46  -0.30950 -1.0 2.0
   33    39    40    46   0.27300  1.0 3.0
   33    39    51    47   0.56750  1.0 1.0
   33    39    51    47  -0.07550 -1.0 2.0
   33    39    51    47   0.20000  1.0 3.0
   33    39    51    54   0.56750  1.0 1.0
   33    39    51    54  -0.07550 -1.0 2.0
   33    39    51    54   0.20000  1.0 3.0
   33    39    51    55   0.56750  1.0 1.0
   33    39    51    55  -0.07550 -1.0 2.0
   33    39    51    55   0.20000  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    51   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    51   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    44    45   0.15000  1.0 3.0
   39    40   -44    47   0.56750  1.0 1.0
   39    40   -44    47  -0.07550 -1.0 2.0
   39    40   -44    47   0.20000  1.0 3.0
   39    40    44    49   0.86500  1.0 1.0
   39    40    44    49  -0.17500 -1.0 2.0
   39    40    44    49   0.20800  1.0 3.0
   39    40    46    59   0.06250  1.0 1.0
   39    40    46    59  -0.01100 -1.0 2.0
   39    40    46    59   0.28050  1.0 3.0
   39    51   -54    59   0.56750  1.0 1.0
   39    51   -54    59  -0.07550 -1.0 2.0
   39    51   -54    59   0.20000  1.0 3.0
   39    51    54    75   0.56750  1.0 1.0
   39    51    54    75  -0.07550 -1.0 2.0
   39    51    54    75   0.20000  1.0 3.0
   39    51    54    61   0.56750  1.0 1.0
   39    51    54    61  -0.07550 -1.0 2.0
   39    51    54    61   0.20000  1.0 3.0
   39    51    55    56   0.15000  1.0 3.0
   39    51    55    57   0.15000  1.0 3.0
   39    51    55    58   0.15000  1.0 3.0
   40    39   -51    47   0.56750  1.0 1.0
   40    39   -51    47  -0.07550 -1.0 2.0
   40    39   -51    47   0.20000  1.0 3.0
   40    39    51    54   0.56750  1.0 1.0
   40    39    51    54  -0.07550 -1.0 2.0
   40    39    51    54   0.20000  1.0 3.0
   40    39    51    55   0.56750  1.0 1.0
   40    39    51    55  -0.07550 -1.0 2.0
   40    39    51    55   0.20000  1.0 3.0
   40    39    42    43  -0.11600  1.0 1.0
   40    39    42    43  -0.09450 -1.0 2.0
   40    39    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44   -47    51   0.56750  1.0 1.0
   40    44   -47    51  -0.07550 -1.0 2.0
   40    44   -47    51   0.20000  1.0 3.0
   40    44    47    52   0.86500  1.0 1.0
   40    44    47    52  -0.17500 -1.0 2.0
   40    44    47    52   0.20800  1.0 3.0
   40    44    49    50  -0.11600  1.0 1.0
   40    44    49    50  -0.09450 -1.0 2.0
   40    44    49    50   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    59   0.37050  1.0 3.0
   44    40    46    59   0.06250  1.0 1.0
   44    40    46    59  -0.01100 -1.0 2.0
   44    40    46    59   0.28050  1.0 3.0
   44    47   -51    39   0.56750  1.0 1.0
   44    47   -51    39  -0.07550 -1.0 2.0
   44    47   -51    39   0.20000  1.0 3.0
   44    47    51    54   0.56750  1.0 1.0
   44    47    51    54  -0.07550 -1.0 2.0
   44    47    51    54   0.20000  1.0 3.0
   44    47    51    55   0.56750  1.0 1.0
   44    47    51    55  -0.07550 -1.0 2.0
   44    47    51    55   0.20000  1.0 3.0
   44    47    52    53  -0.11600  1.0 1.0
   44    47    52    53  -0.09450 -1.0 2.0
   44    47    52    53   0.21250  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    51   0.15000  1.0 3.0
   45    44    47    52   0.23400  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   47    44    49    50  -0.11600  1.0 1.0
   47    44    49    50  -0.09450 -1.0 2.0
   47    44    49    50   0.21250  1.0 3.0
   47    51    54    59   0.56750  1.0 1.0
   47    51    54    59  -0.07550 -1.0 2.0
   47    51    54    59   0.20000  1.0 3.0
   47    51    54    75   0.56750  1.0 1.0
   47    51    54    75  -0.07550 -1.0 2.0
   47    51    54    75   0.20000  1.0 3.0
   47    51    54    61   0.56750  1.0 1.0
   47    51    54    61  -0.07550 -1.0 2.0
   47    51    54    61   0.20000  1.0 3.0
   47    51    55    56   0.15000  1.0 3.0
   47    51    55    57   0.15000  1.0 3.0
   47    51    55    58   0.15000  1.0 3.0
   48    47    51    39   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   48    47    51    55   0.15000  1.0 3.0
   48    47    52    53   0.19450  1.0 3.0
   51    39    40    41   0.15000  1.0 3.0
   51    39   -40    44   0.56750  1.0 1.0
   51    39   -40    44  -0.07550 -1.0 2.0
   51    39   -40    44   0.20000  1.0 3.0
   51    39    40    46   0.62750  1.0 1.0
   51    39    40    46  -0.30950 -1.0 2.0
   51    39    40    46   0.27300  1.0 3.0
   51    39    42    43  -0.11600  1.0 1.0
   51    39    42    43  -0.09450 -1.0 2.0
   51    39    42    43   0.21250  1.0 3.0
   51    47    52    53  -0.11600  1.0 1.0
   51    47    52    53  -0.09450 -1.0 2.0
   51    47    52    53   0.21250  1.0 3.0
   51    54    59    60   0.15000  1.0 3.0
   51    54    59    64   0.34400  1.0 1.0
   51    54    59    64   0.09450 -1.0 2.0
   51    54    59    64   0.11100  1.0 3.0
   51    54   -59    46   0.62750  1.0 1.0
   51    54   -59    46  -0.30950 -1.0 2.0
   51    54   -59    46   0.27300  1.0 3.0
   51    54    75    69  -0.95700  1.0 1.0
   51    54    75    69  -0.18200 -1.0 2.0
   51    54    75    69   0.29450  1.0 3.0
   51    54    75    76   0.15000  1.0 3.0
   51    54    75    77   0.86500  1.0 1.0
   51    54    75    77  -0.17500 -1.0 2.0
   51    54    75    77   0.20800  1.0 3.0
   51    54    61    62   0.15000  1.0 3.0
   51    54    61    63   0.15000  1.0 3.0
   51    54    61    66   0.86500  1.0 1.0
   51    54    61    66  -0.17500 -1.0 2.0
   51    54    61    66   0.20800  1.0 3.0
   54    51    55    56   0.15000  1.0 3.0
   54    51    55    57   0.15000  1.0 3.0
   54    51    55    58   0.15000  1.0 3.0
   54    59    64    65   0.00000  1.0 1.0
   54    59    64    68   0.09850  1.0 1.0
   54    59    64    68   0.15250 -1.0 2.0
   54    59    64    68  -0.50650  1.0 3.0
   54    59   -46    40   0.06250  1.0 1.0
   54    59   -46    40  -0.01100 -1.0 2.0
   54    59   -46    40   0.28050  1.0 3.0
   54    75    77    78  -0.11600  1.0 1.0
   54    75    77    78  -0.09450 -1.0 2.0
   54    75    77    78   0.21250  1.0 3.0
   54    61    66    67  -0.11600  1.0 1.0
   54    61    66    67  -0.09450 -1.0 2.0
   54    61    66    67   0.21250  1.0 3.0
   59    54    75    69  -0.95700  1.0 1.0
   59    54    75    69  -0.18200 -1.0 2.0
   59    54    75    69   0.29450  1.0 3.0
   59    54    75    76   0.15000  1.0 3.0
   59    54    75    77   0.86500  1.0 1.0
   59    54    75    77  -0.17500 -1.0 2.0
   59    54    75    77   0.20800  1.0 3.0
   59    54    61    62   0.15000  1.0 3.0
   59    54    61    63   0.15000  1.0 3.0
   59    54    61    66   0.86500  1.0 1.0
   59    54    61    66  -0.17500 -1.0 2.0
   59    54    61    66   0.20800  1.0 3.0
   59    64   -68    69   7.00000 -1.0 2.0
   59    64    68    71   7.00000 -1.0 2.0
   60    59    64    65   0.33100  1.0 3.0
   60    59    64    68   0.00000  1.0 1.0
   60    59    46    40   0.37050  1.0 3.0
   64    59    46    40  -0.77900  1.0 1.0
   64    59    46    40  -0.36900 -1.0 2.0
   64    59    46    40   0.40400  1.0 3.0
   64    68    69    70   1.00000 -1.0 2.0
   64    68    69    75  -0.33500  1.0 1.0
   64    68    69    75   1.06600 -1.0 2.0
   64    68    69    75  -0.14000  1.0 3.0
   64    68    71    72   0.00000  1.0 1.0
   64    68    71    73   0.00000  1.0 1.0
   64    68    71    74   0.00000  1.0 1.0
   65    64    68    69   7.00000 -1.0 2.0
   65    64    68    71   7.00000 -1.0 2.0
   68    69   -75    54   0.65300  1.0 1.0
   68    69   -75    54  -0.03850 -1.0 2.0
   68    69   -75    54   0.33900  1.0 3.0
   68    69    75    76   0.00000  1.0 1.0
   68    69    75    77   0.65300  1.0 1.0
   68    69    75    77  -0.03850 -1.0 2.0
   68    69    75    77   0.33900  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   69    75    77    78   0.91850  1.0 1.0
   69    75    77    78   0.57950  1.0 3.0
   70    69    75    54   0.30150 -1.0 2.0
   70    69    75    76   0.00000  1.0 1.0
   70    69    75    77   0.30150 -1.0 2.0
   75    54    59    60   0.15000  1.0 3.0
   75    54   -59    64   0.34400  1.0 1.0
   75    54   -59    64   0.09450 -1.0 2.0
   75    54   -59    64   0.11100  1.0 3.0
   75    54    59    46   0.62750  1.0 1.0
   75    54    59    46  -0.30950 -1.0 2.0
   75    54    59    46   0.27300  1.0 3.0
   75    54    61    62   0.15000  1.0 3.0
   75    54    61    63   0.15000  1.0 3.0
   75    54    61    66   0.86500  1.0 1.0
   75    54    61    66  -0.17500 -1.0 2.0
   75    54    61    66   0.20800  1.0 3.0
   76    75    77    78   0.19450  1.0 3.0
   71    68    69    70  -0.64400  1.0 1.0
   71    68    69    70   0.26850 -1.0 2.0
   71    68    69    75   0.25700  1.0 1.0
   71    68    69    75   0.66200 -1.0 2.0
   71    68    69    75   0.04450  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -1.82950 -1.0 2.0
   46    59    64    65   0.00000  1.0 1.0
   46    59    64    68   0.39000  1.0 1.0
   46    59    64    68  -0.05800 -1.0 2.0
   46    59    64    68  -0.55150  1.0 3.0
   61    54    59    60   0.15000  1.0 3.0
   61    54    59    64   0.34400  1.0 1.0
   61    54    59    64   0.09450 -1.0 2.0
   61    54    59    64   0.11100  1.0 3.0
   61    54    59    46   0.62750  1.0 1.0
   61    54    59    46  -0.30950 -1.0 2.0
   61    54    59    46   0.27300  1.0 3.0
   61    54    75    69  -0.95700  1.0 1.0
   61    54    75    69  -0.18200 -1.0 2.0
   61    54    75    69   0.29450  1.0 3.0
   61    54    75    76   0.15000  1.0 3.0
   61    54    75    77   0.86500  1.0 1.0
   61    54    75    77  -0.17500 -1.0 2.0
   61    54    75    77   0.20800  1.0 3.0
   62    61    66    67   0.19450  1.0 3.0
   63    61    66    67   0.19450  1.0 3.0
   55    51    54    59   0.56750  1.0 1.0
   55    51    54    59  -0.07550 -1.0 2.0
   55    51    54    59   0.20000  1.0 3.0
   55    51    54    75   0.56750  1.0 1.0
   55    51    54    75  -0.07550 -1.0 2.0
   55    51    54    75   0.20000  1.0 3.0
   55    51    54    61   0.56750  1.0 1.0
   55    51    54    61  -0.07550 -1.0 2.0
   55    51    54    61   0.20000  1.0 3.0
   52    47    51    39   0.86500  1.0 1.0
   52    47    51    39  -0.17500 -1.0 2.0
   52    47    51    39   0.20800  1.0 3.0
   52    47    51    54   0.86500  1.0 1.0
   52    47    51    54  -0.17500 -1.0 2.0
   52    47    51    54   0.20800  1.0 3.0
   52    47    51    55   0.86500  1.0 1.0
   52    47    51    55  -0.17500 -1.0 2.0
   52    47    51    55   0.20800  1.0 3.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    51   0.86500  1.0 1.0
   49    44    47    51  -0.17500 -1.0 2.0
   49    44    47    51   0.20800  1.0 3.0
   49    44    47    52   3.75450  1.0 1.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    46   3.69350  1.0 1.0
   42    39    40    46  -1.82950 -1.0 2.0
   42    39    51    47   0.86500  1.0 1.0
   42    39    51    47  -0.17500 -1.0 2.0
   42    39    51    47   0.20800  1.0 3.0
   42    39    51    54   0.86500  1.0 1.0
   42    39    51    54  -0.17500 -1.0 2.0
   42    39    51    54   0.20800  1.0 3.0
   42    39    51    55   0.86500  1.0 1.0
   42    39    51    55  -0.17500 -1.0 2.0
   42    39    51    55   0.20800  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   59    65    64    68   1.10000 -1.0 2.0
   69    71    68    64   1.10000 -1.0 2.0
   68    75    69    70  10.50000 -1.0 2.0
END
