* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    153    240     445
    1     0 S   NP   _N1_     1    28.89669    93.08339   -20.76840
    2     1 S   H    _HN1     2     1.02785    86.23028   -76.64433
    3     1 S   H    _H1_     3     1.02958   103.32359    31.25216
    4     1 S   H    _H2_     4     1.02845    24.99358   133.19693
    5     1 S   CT   _CA1     5     1.50071   132.68353   166.35100
    6     5 S   HC   _HA1     6     1.09567   105.34545    45.09317
    7     5 S   CO3  _C1_     7     1.53901   112.16948   -75.35240
    8     7 S   O2Z  _O11     8     1.26361   115.06361   -49.30642
    9     7 S   O2Z  _O12     9     1.26224   114.91128   129.98292
   10     5 S   CT   _CB1    10     1.53096   107.46158   163.09929
   11    10 S   HC   HB11    11     1.09815   109.67212   -49.72608
   12    10 S   HC   HB12    12     1.09835   110.29896    66.86775
   13    10 S   CT   _CG1    13     1.53026   112.53791  -170.83620
   14    13 S   HC   HG11    14     1.09493   110.34979   -54.12949
   15    13 S   HC   HG12    15     1.09599   110.30198    64.80900
   16    13 S   C    _CD1    16     1.51777   111.64367  -175.20784
   17    16 S   O    _OE1    17     1.22763   122.88648   -23.97888
   18    16 S   N    _N2_    18     1.38486   111.99629   156.91005
   19    18 S   H    _HN2    19     1.01612   119.20499     1.08606
   20    18 S   CT1  _CA2    20     1.46209   123.51438  -177.39473
   21    20 S   HC   _HA2    21     1.09733   109.33448   -16.16126
   22    20 S   C    _C2_    22     1.53471   108.43014  -131.76227
   23    22 S   O    _O2_    23     1.23004   122.30042  -148.40355
   24    20 S   CT   _CB2    32     1.53481   111.10876   105.99528
   25    24 S   HC   HB21    33     1.09408   109.44843    51.80168
   26    24 S   HC   HB22    34     1.09514   110.47546   170.69703
   27    22 S   N    _N3_    24     1.38539   113.37984    39.32140
   28    27 S   H    _HN3    25     1.01523   118.87989    -0.77481
   29    24 S   S    _SG2    35     1.82826   111.75783   -69.96262
   30    27 S   CT   _CA3    26     1.45444   123.46531   174.95919
   31    30 S   HC   HA31    27     1.09522   109.25143    24.02503
   32    30 S   HC   HA32    28     1.09495   107.11021   141.03998
   33    29 S   S    _S2_    36     2.05300   102.20594   169.24344
   34    30 S   CO3  _C3_    29     1.52928   113.14630   -99.46034
   35    34 S   O2Z  _O31    30     1.26405   115.44184   -43.34740
   36    34 S   O2Z  _O32    31     1.26362   114.97383   137.62239
   37    33 S   CT   _C5_    37     1.85679   106.36329   -94.06692
   38    37 S   C    _C6_    38     1.54297   106.16386   175.04303
   39    38 S   O    _O33    39     1.23363   122.10425    78.43614
   40    37 S   N    _N6_    70     1.49009   114.51209    54.26752
   41    37 S   CT   _C4_    79     1.54637   106.90289   -71.50199
   42    41 S   HC   _H5_    80     1.09503   112.95570    65.99616
   43    41 S   HC   _H6_    81     1.09722   112.25235   -55.33610
   44    41 S   HC   _H7_    82     1.09724   110.46007  -173.94404
   45    38 S   N    _N4_    40     1.38296   115.11257   -99.38952
   46    40 S   CT   _C20    71     1.46243   119.45665  -100.70975
   47    46 S   HC   _H16    72     1.09358   108.74055   -67.57931
   48    46 S   HC   _H17    73     1.09321   111.88491   173.61629
   49    46 S   HC   _H18    74     1.08985   110.34397    52.86140
   50    45 S   CP1  _C7_    41     1.45398   122.02972  -171.72723
   51    50 S   HC   _H3_    42     1.09708   109.29125   -58.66629
   52    50 S   CT   _C8_    43     1.55708   106.22948   179.17909
   53    50 S   NE   _N5_    52     1.45625   110.89282    63.31934
   54    53 S   H    _H9_    53     1.00942   123.43681   -75.13640
   55    52 S   CA   _C9_    44     1.50261   101.61256  -132.95694
   56    52 S   CT   _C17    64     1.54992   104.36123   -11.28558
   57    56 S   HC   _H4_    65     1.09683   111.51547   149.81123
   58    52 S   OH   _O38    77     1.42130   110.30667   108.76434
   59    58 S   HO   _H20    78     0.97211   108.62164    78.15455
   60    55 S   CA   _C10    45     1.38653   128.84912  -173.46382
   61    60 S   HA   _H8_    46     1.08550   120.37199     1.30746
   62    45 S   CT   _C18    66     1.46266   125.00463    17.77986
   63    62 S   SM   _S1_    67     1.84212   114.35459    79.52857
   64    56 S   OH   _O37    75     1.43442   109.72752   -92.02385
   65    64 S   HO   _H19    76     0.97372   107.13016  -174.46388
   66    60 S   CA   _C11    47     1.39736   118.13786  -178.11011
   67    66 S   Cl   Cl1_    48     1.72763   118.37488   179.78060
   68    62 S   C    _C19    68     1.53147   109.50483   -43.62057
   69    68 S   O    _O36    69     1.23513   120.74242  -157.03135
   70    66 S   CA   _C12    49     1.40780   120.61414     0.06256
   71    70 S   CA   _C13    50     1.40245   120.19635     2.36132
   72    70 S   OS   _O35    59     1.37320   119.56428   178.47505
   73    55 S   CA   _C14    51     1.39832   109.31951     8.41275
   74    71 S   OS   _O34    54     1.36846   121.13958   178.29509
   75    72 S   CT   _C16    60     1.42826   110.40674   101.26182
   76    75 S   HC   _H13    61     1.09409   107.75163  -172.51172
   77    75 S   HC   _H14    62     1.09471   111.22822    69.37234
   78    75 S   HC   _H15    63     1.09582   111.51506   -54.16912
   79    74 S   CT   _C15    55     1.42806   110.04795   -89.32097
   80    79 S   HC   _H10    56     1.09407   107.78517  -179.07169
   81    79 S   HC   _H11    57     1.09539   111.29076    62.68438
   82    79 S   HC   _H12    58     1.09563   111.31621   -60.80887
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  11   2   1   1  16  16   5  14   6   2   1   1  15   6   3   2
   1  16   8  17  10   3  14  11   6   5   1   7   4   5   3   2
   1   7   3   1   1   9   8   6   2   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    68    40    46    41    42    43    44  
   35    36  
   36  
    0  
   38    39    45    50    62    68    69    40    46    47    48    49    41    42    43    44  
   39    45    50    51    52    53    56    62    63    68    40    46    41    42    43    44  
   45    50    62    40    41  
   46    47    48    49    41    42    43    44    45    56    62    63    68    69  
   42    43    44    45    46    68  
   43    44  
   44  
    0  
   50    51    52    55    73    53    54    56    57    62    63    68    69    64    58  
   47    48    49    62    68    69  
   48    49    68  
   49    68  
   68  
   51    52    55    60    71    73    53    54    56    57    62    63    68    64    58    59  
   52    55    73    53    54    56    62    58  
   55    60    61    66    71    73    53    54    56    57    62    63    68    64    65    58    59  
   54    74    56    62    58    55    60    70    71    73  
   55    71    73  
   60    61    66    67    70    71    73    74    56    57    62    64    58    59  
   57    62    63    68    69    64    65    58    59    60    73  
   62    63    68    64    65    58  
   59    60    62    64    73  
    0  
   61    66    67    70    71    73    72  
   66    67    70    73  
   63    68    69    64    65  
   68    69    64  
   65    68  
    0  
   67    70    71    73    74    72    75  
   70    71    72  
   69  
    0  
   71    73    74    79    72    75    76    77    78  
   73    74    79    80    81    82    72    75  
   75    76    77    78    73    74  
   74    79  
   79    80    81    82  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.340000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.192500   1.8100   1.6000   0.054801302  -1.445846770
   46   3.5000   0.0660  -0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.132500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.3000   0.1700  -0.702500   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.022500   1.9750   1.7500   0.005000000  -0.741685710
   63   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   68   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   166.000  2.038
   33    37   222.000  1.810
   37    38   317.000  1.522
   37    40   337.000  1.449
   37    41   268.000  1.529
   38    39   570.000  1.229
   38    45   490.000  1.335
   45    50   337.000  1.449
   45    62   337.000  1.449
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    53   382.000  1.448
   52    55   317.000  1.510
   52    56   268.000  1.529
   52    58   320.000  1.410
   55    60   469.000  1.400
   55    73   469.000  1.400
   60    61   367.000  1.080
   60    66   469.000  1.400
   66    67   300.000  1.725
   66    70   469.000  1.400
   70    71   469.000  1.400
   70    72   450.000  1.364
   71    73   469.000  1.400
   71    74   450.000  1.364
   73    53   481.000  1.340
   53    54   434.000  1.010
   74    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   72    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    64   320.000  1.410
   62    63   222.000  1.810
   62    68   317.000  1.522
   68    69   570.000  1.229
   68    40   490.000  1.335
   40    46   337.000  1.449
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   64    65   553.000  0.945
   58    59   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    70.00000  112.33000
   33    37    40    80.00000  108.62000
   33    37    41    75.00000  111.63000
   37    38    39    80.00000  120.40000
   37    38    45    70.00000  116.60000
   37    40    68    50.00000  121.90000
   37    40    46    50.00000  118.00000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    44    37.50000  110.70000
   38    45    50    50.00000  121.90000
   38    45    62    50.00000  121.90000
   45    38    39    80.00000  122.90000
   45    50    51    35.00000  109.50000
   45    50    52    80.00000  109.70000
   45    50    53    90.00000  107.82800
   45    62    56    70.00000  110.72300
   45    62    63    80.00000  108.62000
   45    62    68    75.00000  110.24000
   50    52    55    70.00000  112.17500
   50    52    56    58.35000  112.70000
   50    52    58    50.00000  109.50000
   50    53    73    50.00000  120.00000
   50    53    54    35.00000  112.50000
   52    50    51    37.50000  110.70000
   52    55    60    70.00000  120.00000
   52    55    73    70.00000  120.00000
   52    56    57    37.50000  110.70000
   52    56    62    58.35000  112.70000
   52    56    64    50.00000  109.50000
   52    58    59    55.00000  108.50000
   55    60    61    35.00000  120.00000
   55    60    66    63.00000  120.00000
   55    73    71    63.00000  120.00000
   55    73    53    70.00000  120.10000
   60    66    67    75.00000  120.00000
   60    66    70    63.00000  120.00000
   66    60    61    35.00000  120.00000
   66    70    71    63.00000  120.00000
   66    70    72    70.00000  120.00000
   70    66    67    75.00000  120.00000
   70    71    73    63.00000  120.00000
   70    71    74    70.00000  120.00000
   70    72    75    75.00000  111.00000
   71    73    53    70.00000  120.10000
   71    74    79    75.00000  111.00000
   73    55    60    63.00000  120.00000
   73    53    54    35.00000  113.50000
   53    50    51    35.00000  109.50000
   53    50    52    80.00000  111.61500
   74    71    73    70.00000  120.00000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   72    70    71    70.00000  120.00000
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   56    52    55    70.00000  112.17500
   56    62    63    75.00000  111.63000
   56    62    68    63.00000  111.10000
   56    64    65    55.00000  108.50000
   62    45    50    50.00000  118.00000
   62    56    57    37.50000  110.70000
   62    68    69    80.00000  120.40000
   62    68    40    70.00000  116.60000
   68    62    63    70.00000  112.33000
   68    40    46    50.00000  121.90000
   40    37    38    75.00000  110.24000
   40    68    69    80.00000  122.90000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   64    56    57    35.00000  109.50000
   64    56    62    50.00000  109.50000
   58    52    55    90.00000  112.51600
   58    52    56    50.00000  109.50000
   41    37    38    63.00000  111.10000
   41    37    40    70.00000  110.72300
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -3.49700 -1.0 2.0
   24    29    33    37   0.74750  1.0 3.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.09450  1.0 1.0
   29    33    37    38  -0.17100 -1.0 2.0
   29    33    37    38   0.39050  1.0 3.0
   29    33    37    40   0.00000  1.0 1.0
   29    33    37    41   0.09450  1.0 1.0
   29    33    37    41  -0.17100 -1.0 2.0
   29    33    37    41   0.39100  1.0 3.0
   33    37    38    39   0.30150 -1.0 2.0
   33    37    38    45   0.00000  1.0 1.0
   33    37    40    68  -0.42300  1.0 1.0
   33    37    40    68  -0.07000 -1.0 2.0
   33    37    40    68   0.04150  1.0 3.0
   33    37    40    46   0.17850 -1.0 2.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    43   0.15000  1.0 3.0
   33    37    41    44   0.15000  1.0 3.0
   37    38    45    50   1.15000  1.0 1.0
   37    38    45    50   3.04450 -1.0 2.0
   37    38    45    62   1.49850  1.0 1.0
   37    38    45    62   1.53950 -1.0 2.0
   37    40    46    47   0.00000  1.0 1.0
   37    40    46    48   0.00000  1.0 1.0
   37    40    46    49   0.00000  1.0 1.0
   38    37    40    68  -0.42300  1.0 1.0
   38    37    40    68  -0.07000 -1.0 2.0
   38    37    40    68   0.04150  1.0 3.0
   38    37    40    46   0.17850 -1.0 2.0
   38    37    41    42  -0.11250  1.0 3.0
   38    37    41    43  -0.11250  1.0 3.0
   38    37    41    44  -0.11250  1.0 3.0
   38    45    50    51   0.00000  1.0 1.0
   38    45    50    52   0.25950  1.0 1.0
   38    45    50    52   0.43850 -1.0 2.0
   38    45    50    52   2.61650  1.0 3.0
   38    45    50    53  -0.50000 -1.0 2.0
   38    45    62    56  -0.43950  1.0 1.0
   38    45    62    56  -0.08100 -1.0 2.0
   38    45    62    56   0.03350  1.0 3.0
   38    45    62    63  -0.42300  1.0 1.0
   38    45    62    63  -0.07000 -1.0 2.0
   38    45    62    63   0.04150  1.0 3.0
   38    45   -62    68  -0.42300  1.0 1.0
   38    45   -62    68  -0.07000 -1.0 2.0
   38    45   -62    68   0.04150  1.0 3.0
   39    38    45    50   3.04450 -1.0 2.0
   39    38    45    62   3.04450 -1.0 2.0
   45    50    52    55   0.08550  1.0 1.0
   45    50    52    55   1.07500 -1.0 2.0
   45    50    52    55  -0.10950  1.0 3.0
   45    50   -52    56   0.42250  1.0 1.0
   45    50   -52    56  -0.48100 -1.0 2.0
   45    50   -52    56   0.35650  1.0 3.0
   45    50    52    58   2.76900  1.0 1.0
   45    50    52    58  -0.24350 -1.0 2.0
   45    50    52    58  -0.78250  1.0 3.0
   45    50    53    73  -0.12500  1.0 1.0
   45    50    53    73  -0.12500 -1.0 2.0
   45    50    53    73   0.25000  1.0 3.0
   45    50    53    54  -0.12500  1.0 1.0
   45    50    53    54  -0.12500 -1.0 2.0
   45    50    53    54   0.25000  1.0 3.0
   45    62    68    69   0.30150 -1.0 2.0
   45    62    68    40   0.00000  1.0 1.0
   50    45   -62    56  -0.05900 -1.0 2.0
   50    45    62    63   0.17850 -1.0 2.0
   50    45    62    68   0.17850 -1.0 2.0
   50    52    55    60   0.04150 -1.0 2.0
   50    52   -55    73   0.04150 -1.0 2.0
   50    52    56    57   0.15000  1.0 3.0
   50    52   -56    62   0.56750  1.0 1.0
   50    52   -56    62  -0.07550 -1.0 2.0
   50    52   -56    62   0.20000  1.0 3.0
   50    52    56    64   0.86500  1.0 1.0
   50    52    56    64  -0.17500 -1.0 2.0
   50    52    56    64   0.20800  1.0 3.0
   50    52    58    59  -0.11600  1.0 1.0
   50    52    58    59  -0.09450 -1.0 2.0
   50    52    58    59   0.21250  1.0 3.0
   51    50    52    55   0.43200  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    52    58   0.23400  1.0 3.0
   51    50    53    73   0.00000  1.0 1.0
   51    50    53    54   0.00000  1.0 1.0
   52    50   -53    73  -0.12500  1.0 1.0
   52    50   -53    73  -0.12500 -1.0 2.0
   52    50   -53    73   0.25000  1.0 3.0
   52    50    53    54   0.00000  1.0 1.0
   52    55    60    61   3.62500 -1.0 2.0
   52    55    60    66   3.62500 -1.0 2.0
   52    55    73    71   3.62500 -1.0 2.0
   52    55   -73    53   3.62500 -1.0 2.0
   52    56   -62    45   0.43900  1.0 1.0
   52    56   -62    45   0.49100 -1.0 2.0
   52    56   -62    45   0.28400  1.0 3.0
   52    56    62    63   0.44750  1.0 1.0
   52    56    62    63  -0.17800 -1.0 2.0
   52    56    62    63   0.20200  1.0 3.0
   52    56    62    68  -0.95700  1.0 1.0
   52    56    62    68  -0.18200 -1.0 2.0
   52    56    62    68   0.29450  1.0 3.0
   52    56    64    65  -0.11600  1.0 1.0
   52    56    64    65  -0.09450 -1.0 2.0
   52    56    64    65   0.21250  1.0 3.0
   55    52    56    57   0.43200  1.0 3.0
   55    52    56    62  -0.03700  1.0 1.0
   55    52    56    62   0.37200 -1.0 2.0
   55    52    56    62  -0.47300  1.0 3.0
   55    52    56    64   1.13150  1.0 1.0
   55    52    56    64  -1.01400 -1.0 2.0
   55    52    58    59   0.31900  1.0 1.0
   55    52    58    59  -0.11800 -1.0 2.0
   55    52    58    59   0.38750  1.0 3.0
   55    60    66    67   3.62500 -1.0 2.0
   55    60    66    70   3.62500 -1.0 2.0
   55    73   -53    50  -1.00000  1.0 1.0
   55    73   -53    50   1.25000 -1.0 2.0
   55    73    53    54   1.00000 -1.0 2.0
   60    55    73    71   3.62500 -1.0 2.0
   60    55    73    53   3.62500 -1.0 2.0
   60    66   -70    71   3.62500 -1.0 2.0
   60    66    70    72   3.62500 -1.0 2.0
   61    60    66    67   3.62500 -1.0 2.0
   61    60    66    70   3.62500 -1.0 2.0
   66    70    71    73   3.62500 -1.0 2.0
   66    70    71    74   3.62500 -1.0 2.0
   66    70    72    75   1.63200 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    72   3.62500 -1.0 2.0
   70    71   -73    55   3.62500 -1.0 2.0
   70    71    73    53   3.62500 -1.0 2.0
   70    71    74    79   1.63200 -1.0 2.0
   70    72    75    76   0.08050  1.0 3.0
   70    72    75    77   0.08050  1.0 3.0
   70    72    75    78   0.08050  1.0 3.0
   71    70    72    75   1.63200 -1.0 2.0
   71    73    53    50  -1.00000  1.0 1.0
   71    73    53    50   1.25000 -1.0 2.0
   71    73    53    54   1.00000 -1.0 2.0
   71    74    79    80   0.08050  1.0 3.0
   71    74    79    81   0.08050  1.0 3.0
   71    74    79    82   0.08050  1.0 3.0
   73    55    60    61   3.62500 -1.0 2.0
   73    55   -60    66   3.62500 -1.0 2.0
   73    71    74    79   1.63200 -1.0 2.0
   53    50   -52    55   0.08550  1.0 1.0
   53    50   -52    55   1.07500 -1.0 2.0
   53    50   -52    55  -0.10950  1.0 3.0
   53    50    52    56   1.26750  1.0 1.0
   53    50    52    56  -0.00950 -1.0 2.0
   53    50    52    56   0.30600  1.0 3.0
   53    50    52    58   4.07950  1.0 1.0
   53    50    52    58  -0.26450 -1.0 2.0
   53    50    52    58  -0.12150  1.0 3.0
   74    71    73    55   3.62500 -1.0 2.0
   74    71    73    53   3.62500 -1.0 2.0
   72    70    71    73   3.62500 -1.0 2.0
   72    70    71    74   3.62500 -1.0 2.0
   56    52    55    60   0.04150 -1.0 2.0
   56    52    55    73   0.04150 -1.0 2.0
   56    52    58    59  -0.11600  1.0 1.0
   56    52    58    59  -0.09450 -1.0 2.0
   56    52    58    59   0.21250  1.0 3.0
   56    62    68    69   0.30150 -1.0 2.0
   56    62    68    40   1.39750  1.0 1.0
   56    62    68    40  -0.07950 -1.0 2.0
   56    62    68    40  -0.18750  1.0 3.0
   57    56    62    45   0.15000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    68  -0.11250  1.0 3.0
   57    56    64    65   0.19450  1.0 3.0
   62    45    50    51   0.00000  1.0 1.0
   62    45   -50    52  -0.05900 -1.0 2.0
   62    45    50    53   0.17850 -1.0 2.0
   62    56    64    65  -0.11600  1.0 1.0
   62    56    64    65  -0.09450 -1.0 2.0
   62    56    64    65   0.21250  1.0 3.0
   62    68   -40    37   1.49850  1.0 1.0
   62    68   -40    37   1.53950 -1.0 2.0
   62    68    40    46   1.49850  1.0 1.0
   62    68    40    46   1.53950 -1.0 2.0
   63    62    68    69   0.30150 -1.0 2.0
   63    62    68    40   0.00000  1.0 1.0
   68    40    46    47   0.00000  1.0 1.0
   68    40    46    48   0.00000  1.0 1.0
   68    40    46    49   0.00000  1.0 1.0
   69    68    40    37   3.04450 -1.0 2.0
   69    68    40    46   3.04450 -1.0 2.0
   40    37    38    39   0.30150 -1.0 2.0
   40    37   -38    45   0.00000  1.0 1.0
   40    37    41    42   0.15000  1.0 3.0
   40    37    41    43   0.15000  1.0 3.0
   40    37    41    44   0.15000  1.0 3.0
   64    56    62    45   2.76900  1.0 1.0
   64    56    62    45  -0.24350 -1.0 2.0
   64    56    62    45  -0.78250  1.0 3.0
   64    56    62    63   0.56750  1.0 1.0
   64    56    62    63  -0.07550 -1.0 2.0
   64    56    62    63   0.20000  1.0 3.0
   64    56    62    68  -0.09450  1.0 1.0
   64    56    62    68  -1.12950 -1.0 2.0
   64    56    62    68   0.54000  1.0 3.0
   58    52    55    60   0.14300 -1.0 2.0
   58    52    55    60   0.00300  1.0 3.0
   58    52    55    73   0.14300 -1.0 2.0
   58    52    55    73   0.00300  1.0 3.0
   58    52    56    57   0.23400  1.0 3.0
   58    52    56    62   0.86500  1.0 1.0
   58    52    56    62  -0.17500 -1.0 2.0
   58    52    56    62   0.20800  1.0 3.0
   58    52    56    64   3.75450  1.0 1.0
   41    37    38    39   0.30150 -1.0 2.0
   41    37    38    45   1.39750  1.0 1.0
   41    37    38    45  -0.07950 -1.0 2.0
   41    37    38    45  -0.18750  1.0 3.0
   41    37    40    68  -0.43950  1.0 1.0
   41    37    40    68  -0.08100 -1.0 2.0
   41    37    40    68   0.03350  1.0 3.0
   41    37    40    46  -0.05900 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    45    38    39  10.50000 -1.0 2.0
   62    38    45    50   1.00000 -1.0 2.0
   60    73    55    52   4.00000 -1.0 2.0
   66    61    60    55   1.10000 -1.0 2.0
   70    67    66    60   4.00000 -1.0 2.0
   71    72    70    66   4.00000 -1.0 2.0
   73    74    71    70   4.00000 -1.0 2.0
   71    53    73    55   4.00000 -1.0 2.0
   54    73    53    50   1.00000 -1.0 2.0
   62    40    68    69  10.50000 -1.0 2.0
   46    68    40    37   1.00000 -1.0 2.0
END
