* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    147    238     444
    1     0 S   NP   _N1_     1    29.03530    96.71274   -24.44400
    2     1 S   H    _HN1     2     1.02785   113.84209   -95.19719
    3     1 S   H    _H1_     3     1.02951    70.18754     6.75828
    4     1 S   H    _H2_     4     1.02824    37.48242   176.14085
    5     1 S   CT   _CA1     5     1.50142   130.76384   106.98182
    6     5 S   HC   _HA1     6     1.09577   105.14585    96.70745
    7     5 S   CO3  _C1_     7     1.53775   112.49795   -23.38606
    8     7 S   O2Z  _O11     8     1.26371   115.00598   -41.02908
    9     7 S   O2Z  _O12     9     1.26247   114.94608   137.95205
   10     5 S   CT   _CB1    10     1.53064   107.37205  -145.39816
   11    10 S   HC   HB11    11     1.09835   109.23499   -49.94630
   12    10 S   HC   HB12    12     1.09812   110.48601    66.62144
   13    10 S   CT   _CG1    13     1.52992   112.68166  -170.96251
   14    13 S   HC   HG11    14     1.09580   110.60927   -67.71382
   15    13 S   HC   HG12    15     1.09674   109.79043    51.52874
   16    13 S   C    _CD1    16     1.51808   112.19485   171.84823
   17    16 S   O    _OE1    17     1.22733   123.27954     7.02967
   18    16 S   N    _N2_    18     1.38671   111.69578  -172.63015
   19    18 S   H    _HN2    19     1.01562   118.95684     1.29935
   20    18 S   CT1  _CA2    20     1.46101   123.36237   177.11853
   21    20 S   HC   _HA2    21     1.09594   109.29980     6.44214
   22    20 S   C    _C2_    22     1.53644   108.97761  -108.73863
   23    22 S   O    _O2_    23     1.23089   122.18809  -148.95683
   24    20 S   CT   _CB2    32     1.53276   111.65776   128.90659
   25    24 S   HC   HB21    33     1.09652   109.73718    61.09173
   26    24 S   HC   HB22    34     1.09573   110.92980   178.47839
   27    22 S   N    _N3_    24     1.38302   113.88881    38.54241
   28    27 S   H    _HN3    25     1.01558   119.61511    -3.18438
   29    24 S   S    _SG2    35     1.82794   114.59375   -58.92867
   30    27 S   CT   _CA3    26     1.45280   123.23212   177.11968
   31    30 S   HC   HA31    27     1.09549   107.50636   -64.63598
   32    30 S   HC   HA32    28     1.09556   107.99216    51.80455
   33    29 S   CT   _C18    36     1.84505    99.82651   -64.25829
   34    33 S   HC   _H3_    37     1.09066   105.57286   -41.84716
   35    33 S   HC   _H4_    38     1.09790   106.86318    71.17620
   36    30 S   CO3  _C3_    29     1.52964   114.08077   173.80220
   37    36 S   O2Z  _O31    30     1.26377   116.08515    -0.84927
   38    36 S   O2Z  _O32    31     1.26428   114.40679   179.21217
   39    33 S   CT   _C14    39     1.57568   115.79784  -165.62727
   40    39 S   OM   _O16    40     1.31764   105.34536   -69.32953
   41    39 S   CT   _C9_    41     1.54464   114.21511    53.38655
   42    41 S   HC   _H27    42     1.09493   114.01440   -52.52556
   43    41 S   CT   _C10    43     1.53498   102.22125    66.73342
   44    43 S   HC   _H28    44     1.09623   110.02117   -80.66659
   45    41 S   OS   _O18    64     1.43831   111.67356  -172.10524
   46    43 S   CT   _C11    45     1.54433   104.44103    37.96724
   47    46 S   HC   _H29    46     1.08811   109.98913   116.76244
   48    43 S   OH   _O20    76     1.41783   112.38004   160.71097
   49    48 S   HO   _H41    77     0.97197   107.54878  -177.49563
   50    39 S   CT   _C13    47     1.59778   113.65371   164.43348
   51    46 S   OH   _O21    74     1.42577   109.74643  -128.05612
   52    51 S   HO   _H42    75     0.97222   107.66834   -59.18222
   53    50 S   CT   _C12    48     1.64215   113.00500   173.68065
   54    50 S   CT   _C16    70     1.54178   112.39211    45.23479
   55    54 S   HC   _H33    71     1.09317   111.69023    63.10029
   56    54 S   HC   _H34    72     1.09468   112.29515   -56.10450
   57    54 S   HC   _H35    73     1.09322   111.85056  -175.10871
   58    53 S   CT   _C7_    49     1.56410   107.40181    53.81745
   59    58 S   HC   _H25    50     1.09636   108.62388    81.42466
   60    53 S   CT   _C17    65     1.58261   109.41387   173.42049
   61    60 S   HC   _H36    66     1.09407   111.02963    67.21193
   62    60 S   HC   _H37    67     1.08929   112.72488   -52.55524
   63    58 S   CM   _C4_    51     1.50477   115.85201  -160.56958
   64    63 S   HC   _H24    52     1.08864   115.00697  -167.52175
   65    60 S   OH   _O22    68     1.42266   113.28609  -172.37813
   66    65 S   HO   _H43    69     0.97242   107.19105  -176.32443
   67    63 S   CM   _C5_    53     1.33949   126.52401    11.52981
   68    67 S   CO4  _C6_    54     1.48810   118.37404     1.70077
   69    68 S   O    _O17    55     1.23139   120.12852  -170.48124
   70    67 S   CT   _C15    60     1.49489   123.73928  -177.63735
   71    70 S   HC   _H30    61     1.09488   110.50110   118.33866
   72    70 S   HC   _H31    62     1.09512   111.93913    -1.63518
   73    70 S   HC   _H32    63     1.09490   110.42593  -121.53375
   74    53 S   CT   _C8_    56     1.56794   114.82594   -67.04276
   75    74 S   HC   _H26    57     1.08751   113.04245    52.26916
   76    74 S   OH   _O19    58     1.42318   111.50346   -68.22228
   77    76 S   HO   _H40    59     0.97293   107.22011   175.53700
  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
  12   5   4   2   1   1  19   8  15   7  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    41    50  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    50    53    45    54  
   35    39    40    41    50  
   39    40    41    50  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    50    53    58    74    45    60    54    55    56    57    51    48  
   41    42    43    46    50    53    45    54  
   42    43    44    46    47    50    53    58    59    63    45    54    51    48    49  
   43    44    46    50    58    45    48  
   44    46    47    50    53    58    45    54    51    52    48    49  
   46    47    50    45    51    48    49  
   60    48    46    50    53    58    59    63    64    67    74  
   47    50    53    58    74    60    54    55    56    57    51    52    48    49  
   50    53    54    51    52    48  
   49    50    51  
    0  
   53    58    59    63    68    74    75    76    60    61    62    65    54    55    56    57    51    52  
   52    53    54  
    0  
   58    59    63    64    67    68    69    74    75    76    77    60    61    62    65    66    54    55    56    57  
   55    56    57    58    60    74  
   56    57  
   57  
    0  
   59    63    64    67    68    74    75    76    70    60    61    62    65  
   63    64    67    74    60  
   61    62    65    66    63    68    74    75    76  
   62    65    66    74  
   65    66    74  
   64    67    68    69    74    70    71    72    73  
   67    68    70  
   66    74  
    0  
   68    69    74    75    76    70    71    72    73  
   69    74    75    76    77    70    71    72    73  
   74    75    76    70  
   71    72    73    74  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    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   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   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   570.000  1.307
   39    41   268.000  1.529
   39    50   268.000  1.529
   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    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    51   320.000  1.410
   50    53   268.000  1.529
   50    54   268.000  1.529
   53    58   268.000  1.529
   53    74   268.000  1.529
   53    60   268.000  1.529
   58    59   340.000  1.090
   58    63   317.000  1.510
   58    45   320.000  1.410
   63    64   340.000  1.080
   63    67   549.000  1.340
   67    68   320.000  1.462
   67    70   317.000  1.510
   68    69   570.000  1.229
   68    74   317.000  1.522
   74    75   340.000  1.090
   74    76   320.000  1.410
   76    77   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   320.000  1.410
   65    66   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   51    52   553.000  0.945
   48    49   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    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    50    58.35000  112.70000
   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    50    46    58.35000  112.70000
   39    50    53    58.35000  112.70000
   39    50    54    58.35000  112.70000
   41    39    40    50.00000  109.50000
   41    43    44    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    48    50.00000  109.50000
   41    45    58    60.00000  109.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    50    58.35000  112.70000
   43    46    51    50.00000  109.50000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    54    58.35000  112.70000
   46    51    52    55.00000  108.50000
   50    39    40    50.00000  109.50000
   50    39    41    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    53    58    58.35000  112.70000
   50    53    74    58.35000  112.70000
   50    53    60    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    63    70.00000  112.02700
   53    58    45    50.00000  109.50000
   53    74    68    63.00000  111.10000
   53    74    75    37.50000  110.70000
   53    74    76    50.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    65    50.00000  109.50000
   58    63    64    35.00000  117.00000
   58    63    67    70.00000  124.00000
   63    58    59    35.00000  109.50000
   63    67    68    65.00000  118.96000
   63    67    70    70.00000  124.00000
   67    63    64    35.00000  120.00000
   67    68    69    80.00000  123.72100
   67    68    74    65.00000  118.62400
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    90.00000  109.61100
   74    53    58    58.35000  112.70000
   74    68    69    80.00000  120.40000
   74    76    77    55.00000  108.50000
   76    74    75    35.00000  109.50000
   70    67    68    65.00000  116.34900
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
   45    58    59    35.00000  109.50000
   45    58    63    85.00000  110.90400
   60    53    58    58.35000  112.70000
   60    53    74    58.35000  112.70000
   60    65    66    55.00000  108.50000
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   54    50    53    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    50    50.00000  109.50000
   48    43    44    35.00000  109.50000
   48    43    46    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   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  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    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  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   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    50    46   0.56750  1.0 1.0
   33    39    50    46  -0.07550 -1.0 2.0
   33    39    50    46   0.20000  1.0 3.0
   33    39    50    53   0.56750  1.0 1.0
   33    39    50    53  -0.07550 -1.0 2.0
   33    39    50    53   0.20000  1.0 3.0
   33    39    50    54   0.56750  1.0 1.0
   33    39    50    54  -0.07550 -1.0 2.0
   33    39    50    54   0.20000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    50   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    50   0.15000  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    46   0.56750  1.0 1.0
   39    41   -43    46  -0.07550 -1.0 2.0
   39    41   -43    46   0.20000  1.0 3.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    58   0.06250  1.0 1.0
   39    41    45    58  -0.01100 -1.0 2.0
   39    41    45    58   0.28050  1.0 3.0
   39    50   -53    58   0.56750  1.0 1.0
   39    50   -53    58  -0.07550 -1.0 2.0
   39    50   -53    58   0.20000  1.0 3.0
   39    50    53    74   0.56750  1.0 1.0
   39    50    53    74  -0.07550 -1.0 2.0
   39    50    53    74   0.20000  1.0 3.0
   39    50    53    60   0.56750  1.0 1.0
   39    50    53    60  -0.07550 -1.0 2.0
   39    50    53    60   0.20000  1.0 3.0
   39    50    54    55   0.15000  1.0 3.0
   39    50    54    56   0.15000  1.0 3.0
   39    50    54    57   0.15000  1.0 3.0
   40    39    41    42   0.23400  1.0 3.0
   40    39    41    43   0.62750  1.0 1.0
   40    39    41    43  -0.30950 -1.0 2.0
   40    39    41    43   0.27300  1.0 3.0
   40    39    41    45   1.11900  1.0 1.0
   40    39    41    45  -1.16350 -1.0 2.0
   40    39    41    45  -0.34150  1.0 3.0
   40    39    50    46   0.62750  1.0 1.0
   40    39    50    46  -0.30950 -1.0 2.0
   40    39    50    46   0.27300  1.0 3.0
   40    39    50    53   0.62750  1.0 1.0
   40    39    50    53  -0.30950 -1.0 2.0
   40    39    50    53   0.27300  1.0 3.0
   40    39    50    54   0.62750  1.0 1.0
   40    39    50    54  -0.30950 -1.0 2.0
   40    39    50    54   0.27300  1.0 3.0
   41    39   -50    46   0.56750  1.0 1.0
   41    39   -50    46  -0.07550 -1.0 2.0
   41    39   -50    46   0.20000  1.0 3.0
   41    39    50    53   0.56750  1.0 1.0
   41    39    50    53  -0.07550 -1.0 2.0
   41    39    50    53   0.20000  1.0 3.0
   41    39    50    54   0.56750  1.0 1.0
   41    39    50    54  -0.07550 -1.0 2.0
   41    39    50    54   0.20000  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43   -46    50   0.56750  1.0 1.0
   41    43   -46    50  -0.07550 -1.0 2.0
   41    43   -46    50   0.20000  1.0 3.0
   41    43    46    51   0.86500  1.0 1.0
   41    43    46    51  -0.17500 -1.0 2.0
   41    43    46    51   0.20800  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    58   0.37050  1.0 3.0
   43    41    45    58   0.06250  1.0 1.0
   43    41    45    58  -0.01100 -1.0 2.0
   43    41    45    58   0.28050  1.0 3.0
   43    46   -50    39   0.56750  1.0 1.0
   43    46   -50    39  -0.07550 -1.0 2.0
   43    46   -50    39   0.20000  1.0 3.0
   43    46    50    53   0.56750  1.0 1.0
   43    46    50    53  -0.07550 -1.0 2.0
   43    46    50    53   0.20000  1.0 3.0
   43    46    50    54   0.56750  1.0 1.0
   43    46    50    54  -0.07550 -1.0 2.0
   43    46    50    54   0.20000  1.0 3.0
   43    46    51    52  -0.11600  1.0 1.0
   43    46    51    52  -0.09450 -1.0 2.0
   43    46    51    52   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    50   0.15000  1.0 3.0
   44    43    46    51   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    50    53    58   0.56750  1.0 1.0
   46    50    53    58  -0.07550 -1.0 2.0
   46    50    53    58   0.20000  1.0 3.0
   46    50    53    74   0.56750  1.0 1.0
   46    50    53    74  -0.07550 -1.0 2.0
   46    50    53    74   0.20000  1.0 3.0
   46    50    53    60   0.56750  1.0 1.0
   46    50    53    60  -0.07550 -1.0 2.0
   46    50    53    60   0.20000  1.0 3.0
   46    50    54    55   0.15000  1.0 3.0
   46    50    54    56   0.15000  1.0 3.0
   46    50    54    57   0.15000  1.0 3.0
   47    46    50    39   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   50    39    41    42   0.15000  1.0 3.0
   50    39   -41    43   0.56750  1.0 1.0
   50    39   -41    43  -0.07550 -1.0 2.0
   50    39   -41    43   0.20000  1.0 3.0
   50    39    41    45   0.62750  1.0 1.0
   50    39    41    45  -0.30950 -1.0 2.0
   50    39    41    45   0.27300  1.0 3.0
   50    46    51    52  -0.11600  1.0 1.0
   50    46    51    52  -0.09450 -1.0 2.0
   50    46    51    52   0.21250  1.0 3.0
   50    53    58    59   0.15000  1.0 3.0
   50    53    58    63   0.34400  1.0 1.0
   50    53    58    63   0.09450 -1.0 2.0
   50    53    58    63   0.11100  1.0 3.0
   50    53   -58    45   0.62750  1.0 1.0
   50    53   -58    45  -0.30950 -1.0 2.0
   50    53   -58    45   0.27300  1.0 3.0
   50    53    74    68  -0.95700  1.0 1.0
   50    53    74    68  -0.18200 -1.0 2.0
   50    53    74    68   0.29450  1.0 3.0
   50    53    74    75   0.15000  1.0 3.0
   50    53    74    76   0.86500  1.0 1.0
   50    53    74    76  -0.17500 -1.0 2.0
   50    53    74    76   0.20800  1.0 3.0
   50    53    60    61   0.15000  1.0 3.0
   50    53    60    62   0.15000  1.0 3.0
   50    53    60    65   0.86500  1.0 1.0
   50    53    60    65  -0.17500 -1.0 2.0
   50    53    60    65   0.20800  1.0 3.0
   53    50    54    55   0.15000  1.0 3.0
   53    50    54    56   0.15000  1.0 3.0
   53    50    54    57   0.15000  1.0 3.0
   53    58    63    64   0.00000  1.0 1.0
   53    58    63    67   0.09850  1.0 1.0
   53    58    63    67   0.15250 -1.0 2.0
   53    58    63    67  -0.50650  1.0 3.0
   53    58   -45    41   0.06250  1.0 1.0
   53    58   -45    41  -0.01100 -1.0 2.0
   53    58   -45    41   0.28050  1.0 3.0
   53    74    76    77  -0.11600  1.0 1.0
   53    74    76    77  -0.09450 -1.0 2.0
   53    74    76    77   0.21250  1.0 3.0
   53    60    65    66  -0.11600  1.0 1.0
   53    60    65    66  -0.09450 -1.0 2.0
   53    60    65    66   0.21250  1.0 3.0
   58    53    74    68  -0.95700  1.0 1.0
   58    53    74    68  -0.18200 -1.0 2.0
   58    53    74    68   0.29450  1.0 3.0
   58    53    74    75   0.15000  1.0 3.0
   58    53    74    76   0.86500  1.0 1.0
   58    53    74    76  -0.17500 -1.0 2.0
   58    53    74    76   0.20800  1.0 3.0
   58    53    60    61   0.15000  1.0 3.0
   58    53    60    62   0.15000  1.0 3.0
   58    53    60    65   0.86500  1.0 1.0
   58    53    60    65  -0.17500 -1.0 2.0
   58    53    60    65   0.20800  1.0 3.0
   58    63   -67    68   7.00000 -1.0 2.0
   58    63    67    70   7.00000 -1.0 2.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    67   0.00000  1.0 1.0
   59    58    45    41   0.37050  1.0 3.0
   63    58    45    41  -0.77900  1.0 1.0
   63    58    45    41  -0.36900 -1.0 2.0
   63    58    45    41   0.40400  1.0 3.0
   63    67    68    69   1.00000 -1.0 2.0
   63    67    68    74  -0.33500  1.0 1.0
   63    67    68    74   1.06600 -1.0 2.0
   63    67    68    74  -0.14000  1.0 3.0
   63    67    70    71   0.00000  1.0 1.0
   63    67    70    72   0.00000  1.0 1.0
   63    67    70    73   0.00000  1.0 1.0
   64    63    67    68   7.00000 -1.0 2.0
   64    63    67    70   7.00000 -1.0 2.0
   67    68   -74    53   0.65300  1.0 1.0
   67    68   -74    53  -0.03850 -1.0 2.0
   67    68   -74    53   0.33900  1.0 3.0
   67    68    74    75   0.00000  1.0 1.0
   67    68    74    76   0.65300  1.0 1.0
   67    68    74    76  -0.03850 -1.0 2.0
   67    68    74    76   0.33900  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   68    74    76    77   0.91850  1.0 1.0
   68    74    76    77   0.57950  1.0 3.0
   69    68    74    53   0.30150 -1.0 2.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    76   0.30150 -1.0 2.0
   74    53    58    59   0.15000  1.0 3.0
   74    53   -58    63   0.34400  1.0 1.0
   74    53   -58    63   0.09450 -1.0 2.0
   74    53   -58    63   0.11100  1.0 3.0
   74    53    58    45   0.62750  1.0 1.0
   74    53    58    45  -0.30950 -1.0 2.0
   74    53    58    45   0.27300  1.0 3.0
   74    53    60    61   0.15000  1.0 3.0
   74    53    60    62   0.15000  1.0 3.0
   74    53    60    65   0.86500  1.0 1.0
   74    53    60    65  -0.17500 -1.0 2.0
   74    53    60    65   0.20800  1.0 3.0
   75    74    76    77   0.19450  1.0 3.0
   70    67    68    69  -0.64400  1.0 1.0
   70    67    68    69   0.26850 -1.0 2.0
   70    67    68    74   0.25700  1.0 1.0
   70    67    68    74   0.66200 -1.0 2.0
   70    67    68    74   0.04450  1.0 3.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    46   0.62750  1.0 1.0
   45    41    43    46  -0.30950 -1.0 2.0
   45    41    43    46   0.27300  1.0 3.0
   45    41    43    48   3.69350  1.0 1.0
   45    41    43    48  -1.82950 -1.0 2.0
   45    58    63    64   0.00000  1.0 1.0
   45    58    63    67   0.39000  1.0 1.0
   45    58    63    67  -0.05800 -1.0 2.0
   45    58    63    67  -0.55150  1.0 3.0
   60    53    58    59   0.15000  1.0 3.0
   60    53    58    63   0.34400  1.0 1.0
   60    53    58    63   0.09450 -1.0 2.0
   60    53    58    63   0.11100  1.0 3.0
   60    53    58    45   0.62750  1.0 1.0
   60    53    58    45  -0.30950 -1.0 2.0
   60    53    58    45   0.27300  1.0 3.0
   60    53    74    68  -0.95700  1.0 1.0
   60    53    74    68  -0.18200 -1.0 2.0
   60    53    74    68   0.29450  1.0 3.0
   60    53    74    75   0.15000  1.0 3.0
   60    53    74    76   0.86500  1.0 1.0
   60    53    74    76  -0.17500 -1.0 2.0
   60    53    74    76   0.20800  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   62    60    65    66   0.19450  1.0 3.0
   54    50    53    58   0.56750  1.0 1.0
   54    50    53    58  -0.07550 -1.0 2.0
   54    50    53    58   0.20000  1.0 3.0
   54    50    53    74   0.56750  1.0 1.0
   54    50    53    74  -0.07550 -1.0 2.0
   54    50    53    74   0.20000  1.0 3.0
   54    50    53    60   0.56750  1.0 1.0
   54    50    53    60  -0.07550 -1.0 2.0
   54    50    53    60   0.20000  1.0 3.0
   51    46    50    39   0.86500  1.0 1.0
   51    46    50    39  -0.17500 -1.0 2.0
   51    46    50    39   0.20800  1.0 3.0
   51    46    50    53   0.86500  1.0 1.0
   51    46    50    53  -0.17500 -1.0 2.0
   51    46    50    53   0.20800  1.0 3.0
   51    46    50    54   0.86500  1.0 1.0
   51    46    50    54  -0.17500 -1.0 2.0
   51    46    50    54   0.20800  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    50   0.86500  1.0 1.0
   48    43    46    50  -0.17500 -1.0 2.0
   48    43    46    50   0.20800  1.0 3.0
   48    43    46    51   3.75450  1.0 1.0
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
   58    64    63    67   1.10000 -1.0 2.0
   68    70    67    63   1.10000 -1.0 2.0
   67    74    68    69  10.50000 -1.0 2.0
END
