* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    162    249     472
    1     0 S   NP   _N1_     1    28.56516    95.17810   -22.52740
    2     1 S   H    _HN1     2     1.02959    85.74288    14.16447
    3     1 S   H    _H1_     3     1.02836    28.05606   154.03203
    4     1 S   H    _H2_     4     1.02778    98.56989   -93.75521
    5     1 S   CT   _CA1     5     1.50124   137.08523   129.80813
    6     5 S   HC   _HA1     6     1.09575   105.22166    71.07055
    7     5 S   CO3  _C1_     7     1.53773   112.39250   -49.12431
    8     7 S   O2Z  _O11     8     1.26359   114.99662   -43.69948
    9     7 S   O2Z  _O12     9     1.26236   114.91608   135.44273
   10     5 S   CT   _CB1    10     1.53090   107.42425  -171.03113
   11    10 S   HC   HB11    11     1.09827   109.29295   -50.83927
   12    10 S   HC   HB12    12     1.09817   110.42951    65.69517
   13    10 S   CT   _CG1    13     1.53021   112.70294  -171.93812
   14    13 S   HC   HG11    14     1.09594   110.47635   -64.64518
   15    13 S   HC   HG12    15     1.09657   109.94696    54.58607
   16    13 S   C    _CD1    16     1.51826   112.29748   174.91789
   17    16 S   O    _OE1    17     1.22726   123.24476    -0.28599
   18    16 S   N    _N2_    18     1.38614   111.67384   179.94766
   19    18 S   H    _HN2    19     1.01581   119.04440     1.23765
   20    18 S   CT1  _CA2    20     1.46108   123.37722   179.26965
   21    20 S   HC   _HA2    21     1.09706   109.56206    -2.07207
   22    20 S   C    _C2_    22     1.53649   108.25218  -118.06619
   23    22 S   O    _O2_    23     1.23059   122.29693  -142.64391
   24    20 S   CT   _CB2    32     1.53351   111.72585   120.14766
   25    24 S   HC   HB21    33     1.09492   109.16500    58.41615
   26    24 S   HC   HB22    34     1.09402   108.98601   176.80843
   27    22 S   N    _N3_    24     1.38487   113.57681    44.28225
   28    27 S   H    _HN3    25     1.01493   119.03769     0.00000
   29    24 S   S    _SG2    35     1.83462   112.50923   -62.81052
   30    27 S   CT   _CA3    26     1.45490   123.26971   175.65188
   31    30 S   HC   HA31    27     1.09528   109.19199    25.19965
   32    30 S   HC   HA32    28     1.09492   107.12739   142.17121
   33    29 S   CT   _C23    36     1.84487   101.69067  -178.42617
   34    30 S   CO3  _C3_    29     1.52924   113.18841   -98.26406
   35    34 S   O2Z  _O31    30     1.26397   115.40230   -43.77129
   36    34 S   O2Z  _O32    31     1.26352   115.01282   137.21347
   37    33 S   CM   _C18    37     1.50120   111.90617    59.27842
   38    37 S   CMA  _C17    38     1.34554   112.51861  -110.85891
   39    38 S   OM   _O37    39     1.25740   133.39477  -176.87206
   40    37 S   CT   _C19    76     1.49742   118.38109    74.38119
   41    40 S   HC   _H18    77     1.09555   111.69337   172.43444
   42    40 S   HC   _H19    78     1.09618   109.56089   -69.48820
   43    38 S   N    _N4_    40     1.40075   108.36807    -2.03606
   44    40 S   CT   _C20    79     1.53138   109.70253    51.11670
   45    44 S   HC   _H20    80     1.09778   109.32026    70.40686
   46    44 S   HC   _H21    81     1.09604   109.52454  -172.96160
   47    43 S   CA   _C13    41     1.42862   128.75493   171.36453
   48    33 S   C    _C24    74     1.52235   109.48181   -51.68420
   49    48 S   O    _O36    75     1.22479   124.12736   -64.27830
   50    44 S   CT   _C21    82     1.53310   112.60962   -50.83997
   51    50 S   HC   _H22    83     1.09611   109.36565   175.24758
   52    50 S   HC   _H23    84     1.09639   109.38784   -68.31785
   53    47 S   CA   _C12    42     1.40559   119.96920   -45.17710
   54    53 S   HA   _H16    43     1.08662   118.71856     1.51904
   55    33 S   CT   _C22    85     1.53273   111.63270  -176.52295
   56    55 S   HC   _H24    86     1.09942   109.59812   163.85478
   57    55 S   HC   _H25    87     1.09750   111.08916    47.79205
   58    53 S   CA   _C11    44     1.40157   121.13033  -175.46106
   59    58 S   CA   _C16    45     1.40081   118.99964    -2.85581
   60    59 S   Cl   Cl1_    46     1.72855   121.22847  -178.74399
   61    58 S   OS   _O35    51     1.37285   123.72133   177.31854
   62    59 S   CA   _C15    47     1.39533   120.49655     2.31697
   63    62 S   HA   _H17    48     1.08636   121.08546   179.68973
   64    61 S   CT   _C10    52     1.42393   115.86184   -24.00367
   65    64 S   HC   _H14    53     1.09667   110.74373   -46.47008
   66    64 S   HC   _H15    54     1.09517   109.94169    77.75526
   67    47 S   CA   _C14    49     1.39779   121.51753   138.24025
   68    67 S   F    F1__    50     1.34166   120.61404    -5.51470
   69    64 S   CO4  _C9_    55     1.51073   108.48652  -164.37028
   70    69 S   O    _O34    56     1.22313   125.43056    -5.05350
   71    69 S   OS   _O33    57     1.36531   108.70122   174.86569
   72    71 S   CT   _C8_    58     1.43617   115.90049  -178.80794
   73    72 S   HC   _H12    59     1.09567   108.91591   -67.81753
   74    72 S   HC   _H13    60     1.09615   109.74059    52.13792
   75    72 S   CT   _C7_    61     1.52396   107.83836   172.18194
   76    75 S   HC   _H10    62     1.09705   109.12353   -58.46563
   77    75 S   HC   _H11    63     1.09722   109.36886    56.92500
   78    75 S   CT   _C6_    64     1.52650   111.83084   179.38898
   79    78 S   HC   _H8_    65     1.09680   109.59900    58.15836
   80    78 S   HC   _H9_    66     1.09678   109.57378   -59.14053
   81    78 S   CT   _C5_    67     1.52849   111.24802   179.48414
   82    81 S   HC   _H6_    68     1.09627   109.85583   -59.01265
   83    81 S   HC   _H7_    69     1.09624   109.87576    58.70144
   84    81 S   CT   _C4_    70     1.52027   111.50390   179.86294
   85    84 S   HC   _H3_    71     1.09468   111.00136   -60.27968
   86    84 S   HC   _H4_    72     1.09468   111.00053    60.24182
   87    84 S   HC   _H5_    73     1.09449   110.25894   179.96574
  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  11   5   4   3
  17   2   1   1  16  12   4  11   5   4  10   8   5   4  11   7
   1   5   4   3   9   4   2   1   1  10   7   4   7   3   2   6
   4   3   1   1   6   2   7   9   5   4   9   5   4   9   5   4
   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    55    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    49    40    50    55    56    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    47    48    49    40    41    42    44    50    51    52    55    56    57  
   35    36  
   36  
    0  
   38    39    43    47    48    49    40    41    42    44    45    46    50    55    56    57  
   39    43    47    53    67    48    49    40    41    42    44    55  
   43    47    48    40  
   41    42    44    45    46    50    51    52    55    43    48  
   42    44    45    46    50  
   44    45    46    50  
   47    53    54    58    62    67    68    48    49    55  
   45    46    50    51    52    55    56    57  
   46    50    51    52    55  
   50    51    52    55  
   53    54    58    59    62    63    67    68    61    48    49  
   49    50    55    56    57    53    67  
   55  
   51    52    55    56    57  
   52    55    56    57  
   55    56    57  
   54    58    59    60    62    67    68    61    64  
   58    59    67    61  
   56    57  
   57  
    0  
   59    60    62    63    67    61    64    65    66    69  
   60    62    63    67    68    61    64  
   62    63    67    61  
   64    65    66    69    70    71    62  
   63    67    68  
   67    68  
   65    66    69    70    71    72  
   66    69    70    71  
   69    70    71  
   68  
    0  
   70    71    72    73    74    75  
   71    72  
   72    73    74    75    76    77    78  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83    84  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85    86    87  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.484200   1.8100   1.6000   0.054801302  -1.445846770
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   68   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   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   222.000  1.810
   33    37   317.000  1.510
   33    48   317.000  1.522
   33    55   268.000  1.529
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    43   400.000  1.384
   43    47   360.000  1.404
   43    48   490.000  1.335
   47    53   469.000  1.400
   47    67   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   469.000  1.400
   58    61   450.000  1.364
   59    60   300.000  1.725
   59    62   469.000  1.400
   62    63   367.000  1.080
   62    67   469.000  1.400
   67    68   420.000  1.354
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   317.000  1.522
   69    70   570.000  1.229
   69    71   214.000  1.327
   71    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   48    49   570.000  1.229
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   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    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    37    75.00000  112.20000
   29    33    48    70.00000  112.33000
   29    33    55    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    48    43    70.00000  116.60000
   33    48    49    80.00000  120.40000
   33    55    50    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   37    38    39    65.00000  137.10300
   37    38    43    75.00000  120.83300
   37    40    41    35.00000  109.50000
   37    40    42    35.00000  109.50000
   37    40    44    70.00000  112.02700
   38    43    47    70.00000  119.74000
   38    43    48    70.00000  120.89900
   43    38    39   110.00000  107.01400
   43    47    53    70.00000  119.01900
   43    47    67    70.00000  119.01900
   43    48    49    80.00000  122.90000
   47    53    54    35.00000  120.00000
   47    53    58    63.00000  120.00000
   47    67    62    63.00000  120.00000
   47    67    68    80.00000  120.00000
   53    58    59    63.00000  120.00000
   53    58    61    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    59    60    75.00000  120.00000
   58    59    62    63.00000  120.00000
   58    61    64    75.00000  111.00000
   59    62    63    35.00000  120.00000
   59    62    67    63.00000  120.00000
   62    59    60    75.00000  120.00000
   62    67    68    80.00000  120.00000
   67    47    53    63.00000  120.00000
   67    62    63    35.00000  120.00000
   61    58    59    70.00000  120.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    69    90.00000  108.74100
   64    69    70    80.00000  120.40000
   64    69    71    81.00000  111.40000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   69    71    72    83.00000  116.90000
   71    69    70    83.00000  123.40000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    50.00000  109.50000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   48    33    37    70.00000  115.00700
   48    43    47    65.00000  121.96500
   40    37    38    70.00000  124.00000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    58.35000  112.70000
   42    40    41    33.00000  107.80000
   44    40    41    37.50000  110.70000
   44    40    42    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    55    58.35000  112.70000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   52    50    51    33.00000  107.80000
   55    33    37    70.00000  112.02700
   55    33    48    63.00000  111.10000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   57    55    56    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   0.01700  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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    48    43   0.00000  1.0 1.0
   29    33    48    49   0.30150 -1.0 2.0
   29    33    55    50   0.44750  1.0 1.0
   29    33    55    50  -0.17800 -1.0 2.0
   29    33    55    50   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37   -38    43   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37    40    42   0.34800  1.0 3.0
   33    37    40    44   0.46850  1.0 1.0
   33    37    40    44   0.08550 -1.0 2.0
   33    37    40    44   0.09800  1.0 3.0
   37    33   -48    43   0.00000  1.0 1.0
   37    33    48    49   0.30150 -1.0 2.0
   37    33    55    50   0.34400  1.0 1.0
   37    33    55    50   0.09450 -1.0 2.0
   37    33    55    50   0.11100  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    38    43    47  -0.94800  1.0 1.0
   37    38    43    47   2.88400 -1.0 2.0
   37    38   -43    48  -0.18900  1.0 1.0
   37    38   -43    48   1.70900 -1.0 2.0
   37    40    44    45   0.15000  1.0 3.0
   37    40    44    46   0.15000  1.0 3.0
   37    40   -44    50   0.34400  1.0 1.0
   37    40   -44    50   0.09450 -1.0 2.0
   37    40   -44    50   0.11100  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    42   0.00000  1.0 1.0
   38    37    40    44   0.09850  1.0 1.0
   38    37    40    44   0.15250 -1.0 2.0
   38    37    40    44  -0.50650  1.0 3.0
   38    43    47    53   0.70250  1.0 1.0
   38    43    47    53   1.56150 -1.0 2.0
   38    43    47    67   0.70250  1.0 1.0
   38    43    47    67   1.56150 -1.0 2.0
   38    43   -48    33   0.67100  1.0 1.0
   38    43   -48    33   1.42150 -1.0 2.0
   38    43   -48    33   0.18700  1.0 3.0
   38    43    48    49   2.67200 -1.0 2.0
   39    38    43    47   1.00000 -1.0 2.0
   39    38    43    48  -0.56400  1.0 1.0
   39    38    43    48   0.77500 -1.0 2.0
   39    38    43    48   0.18700  1.0 3.0
   43    47    53    54   3.62500 -1.0 2.0
   43    47    53    58   3.62500 -1.0 2.0
   43    47    67    62   3.62500 -1.0 2.0
   43    47    67    68   3.62500 -1.0 2.0
   47    43    48    33   0.76000  1.0 1.0
   47    43    48    33   4.11600 -1.0 2.0
   47    43    48    49   0.04000 -1.0 2.0
   47    53    58    59   3.62500 -1.0 2.0
   47    53    58    61   3.62500 -1.0 2.0
   53    47    67    62   3.62500 -1.0 2.0
   53    47    67    68   3.62500 -1.0 2.0
   53    58    59    60   3.62500 -1.0 2.0
   53    58   -59    62   3.62500 -1.0 2.0
   53    58    61    64   1.63200 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    61   3.62500 -1.0 2.0
   58    59    62    63   3.62500 -1.0 2.0
   58    59    62    67   3.62500 -1.0 2.0
   58    61    64    65   0.08050  1.0 3.0
   58    61    64    66   0.08050  1.0 3.0
   58    61    64    69  -0.25600  1.0 1.0
   58    61    64    69  -0.40050 -1.0 2.0
   58    61    64    69   0.34700  1.0 3.0
   59    58    61    64   1.63200 -1.0 2.0
   59    62   -67    47   3.62500 -1.0 2.0
   59    62    67    68   3.62500 -1.0 2.0
   60    59    62    63   3.62500 -1.0 2.0
   60    59    62    67   3.62500 -1.0 2.0
   63    62    67    47   3.62500 -1.0 2.0
   63    62    67    68   3.62500 -1.0 2.0
   67    47    53    54   3.62500 -1.0 2.0
   67    47   -53    58   3.62500 -1.0 2.0
   61    58    59    60   3.62500 -1.0 2.0
   61    58    59    62   3.62500 -1.0 2.0
   61    64    69    70   0.30150 -1.0 2.0
   61    64    69    71   0.40000  1.0 3.0
   64    69    71    72   1.63150  1.0 1.0
   64    69    71    72   2.92000 -1.0 2.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.00000  1.0 1.0
   66    64    69    70   0.00000  1.0 1.0
   66    64    69    71   0.00000  1.0 1.0
   69    71    72    73   0.08050  1.0 3.0
   69    71    72    74   0.08050  1.0 3.0
   69    71    72    75  -0.25900  1.0 1.0
   69    71    72    75  -0.47000 -1.0 2.0
   69    71    72    75   0.11750  1.0 3.0
   70    69    71    72   3.00000 -1.0 2.0
   71    72    75    76   0.23400  1.0 3.0
   71    72    75    77   0.23400  1.0 3.0
   71    72    75    78   0.62750  1.0 1.0
   71    72    75    78  -0.30950 -1.0 2.0
   71    72    75    78   0.27300  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   0.56750  1.0 1.0
   72    75    78    81  -0.07550 -1.0 2.0
   72    75    78    81   0.20000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    81    82   0.15000  1.0 3.0
   75    78    81    83   0.15000  1.0 3.0
   75    78    81    84   0.56750  1.0 1.0
   75    78    81    84  -0.07550 -1.0 2.0
   75    78    81    84   0.20000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    81    84    85   0.15000  1.0 3.0
   78    81    84    86   0.15000  1.0 3.0
   78    81    84    87   0.15000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87   0.15000  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87   0.15000  1.0 3.0
   48    33   -37    38  -0.51250  1.0 1.0
   48    33   -37    38  -0.88800 -1.0 2.0
   48    33   -37    38   0.08850  1.0 3.0
   48    33    37    40   0.17250  1.0 1.0
   48    33    37    40  -0.04100 -1.0 2.0
   48    33    37    40  -0.33850  1.0 3.0
   48    33    55    50  -0.95700  1.0 1.0
   48    33    55    50  -0.18200 -1.0 2.0
   48    33    55    50   0.29450  1.0 3.0
   48    33    55    56  -0.11250  1.0 3.0
   48    33    55    57  -0.11250  1.0 3.0
   48    43    47    53   1.00100  1.0 1.0
   48    43    47    53   0.85050 -1.0 2.0
   48    43    47    67   1.00100  1.0 1.0
   48    43    47    67   0.85050 -1.0 2.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    43   7.00000 -1.0 2.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44    50    55   0.56750  1.0 1.0
   40    44    50    55  -0.07550 -1.0 2.0
   40    44    50    55   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   42    40    44    45   0.15000  1.0 3.0
   42    40    44    46   0.15000  1.0 3.0
   42    40    44    50   0.15000  1.0 3.0
   44    50   -55    33   0.56750  1.0 1.0
   44    50   -55    33  -0.07550 -1.0 2.0
   44    50   -55    33   0.20000  1.0 3.0
   44    50    55    56   0.15000  1.0 3.0
   44    50    55    57   0.15000  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    55   0.15000  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    52   0.15000  1.0 3.0
   46    44    50    55   0.15000  1.0 3.0
   51    50    55    33   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   52    50    55    33   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   55    33    37    38   0.09850  1.0 1.0
   55    33    37    38   0.15250 -1.0 2.0
   55    33    37    38  -0.50650  1.0 3.0
   55    33   -37    40   0.46850  1.0 1.0
   55    33   -37    40   0.08550 -1.0 2.0
   55    33   -37    40   0.09800  1.0 3.0
   55    33    48    43   1.39750  1.0 1.0
   55    33    48    43  -0.07950 -1.0 2.0
   55    33    48    43  -0.18750  1.0 3.0
   55    33    48    49   0.30150 -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
   33    40    37    38   1.10000 -1.0 2.0
   43    39    38    37   1.10000 -1.0 2.0
   47    48    43    38   1.00000 -1.0 2.0
   53    67    47    43   4.00000 -1.0 2.0
   58    54    53    47   1.10000 -1.0 2.0
   59    61    58    53   4.00000 -1.0 2.0
   62    60    59    58   4.00000 -1.0 2.0
   67    63    62    59   1.10000 -1.0 2.0
   62    68    67    47   4.00000 -1.0 2.0
   64    71    69    70  10.50000 -1.0 2.0
   33    43    48    49  10.50000 -1.0 2.0
END
