* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    168    260     497
    1     0 S   NP   _N1_     1    33.42673   102.74646   -21.29199
    2     1 S   H    _HN1     2     1.02877    75.70635   -92.47630
    3     1 S   H    _H1_     3     1.02730    77.44426   155.39138
    4     1 S   H    _H2_     4     1.03327   171.96701    28.79241
    5     1 S   CT   _CA1     5     1.50047    60.80106    32.38303
    6     5 S   HC   _HA1     6     1.09474   104.75776   128.87066
    7     5 S   CO3  _C1_     7     1.53624   113.59215     8.83776
    8     7 S   O2Z  _O11     8     1.26369   115.28004   -31.84105
    9     7 S   O2Z  _O12     9     1.26311   114.95476   147.29281
   10     5 S   CT   _CB1    10     1.52912   107.35150  -112.79005
   11    10 S   HC   HB11    11     1.09491   109.14271   -38.24600
   12    10 S   HC   HB12    12     1.09813   110.72011    77.57836
   13    10 S   CT   _CG1    13     1.53053   112.64151  -160.33108
   14    13 S   HC   HG11    14     1.09534   110.81180   -75.48858
   15    13 S   HC   HG12    15     1.09575   110.82408    43.55321
   16    13 S   C    _CD1    16     1.51594   111.10031   163.61952
   17    16 S   O    _OE1    17     1.22774   122.05658   107.69471
   18    16 S   N    _N2_    18     1.38358   112.46228   -71.95625
   19    18 S   H    _HN2    19     1.01994   118.82708     3.56936
   20    18 S   CT1  _CA2    20     1.46053   124.36947   177.66418
   21    20 S   HC   _HA2    21     1.09702   109.49377     3.38483
   22    20 S   C    _C2_    22     1.53748   109.19017  -112.54079
   23    22 S   O    _O2_    23     1.23141   122.01540  -153.23181
   24    20 S   CT   _CB2    32     1.53315   110.43199   125.80486
   25    24 S   HC   HB21    33     1.09509   109.23617    50.92056
   26    24 S   HC   HB22    34     1.09460   111.16730   169.65086
   27    22 S   N    _N3_    24     1.38318   114.23581    34.31597
   28    27 S   H    _HN3    25     1.01523   119.48476    -4.10255
   29    24 S   S    _SG2    35     1.82874   111.39206   -71.21049
   30    27 S   CT   _CA3    26     1.45276   123.02609   178.18232
   31    30 S   HC   HA31    27     1.09557   107.38410   -66.16187
   32    30 S   HC   HA32    28     1.09570   107.99208    50.14149
   33    29 S   CT   _C11    36     1.84876   100.55266   137.65281
   34    33 S   HC   _H3_    37     1.09316   104.38629   -57.37989
   35    30 S   CO3  _C3_    29     1.52947   114.49729   172.11706
   36    35 S   O2Z  _O31    30     1.26329   116.30471    -3.50286
   37    35 S   O2Z  _O32    31     1.26479   114.33272   176.52210
   38    33 S   CM   _C10    38     1.51352   106.46247  -173.84467
   39    38 S   HC   _H19    39     1.09187   114.81892   -61.07239
   40    33 S   CT   _C12    58     1.54887   113.97179    59.86960
   41    40 S   HC   _H4_    59     1.09855   107.05512   -57.52653
   42    38 S   CMA  _C9_    40     1.35402   128.76983   118.07344
   43    42 S   OM   _O37    41     1.26322   128.44269  -179.64834
   44    40 S   CT   _C16    60     1.54767   113.70862  -178.09916
   45    44 S   HC   _H7_    61     1.09536   111.19390   -51.11953
   46    40 S   CT   _C13    72     1.53515   118.15908    63.69546
   47    46 S   HC   _H5_    73     1.09526   111.71442    46.09640
   48    42 S   CT   _C8_    42     1.53067   120.45014     1.76148
   49    48 S   HC   _H17    43     1.09509   109.58479    37.43591
   50    48 S   HC   _H18    44     1.10102   111.06739   151.60473
   51    44 S   CT   _C17    62     1.50834   115.49858    78.47910
   52    51 S   HC   _H22    63     1.09158   112.67568   -42.00884
   53    51 S   HC   _H23    64     1.09562   110.61725  -164.28024
   54    46 S   OH   _O36    74     1.41605   111.89306   -76.04177
   55    54 S   HO   _H31    75     0.97222   107.50617  -176.97023
   56    48 S   CT   _C7_    45     1.53726   112.70701   -85.67667
   57    56 S   HC   _H15    46     1.09747   109.25297   -56.24104
   58    56 S   HC   _H16    47     1.09636   110.37972    60.53011
   59    51 S   CM   _C18    65     1.49454   100.68649    80.01854
   60    56 S   CT   _C6_    48     1.53182   113.19470  -176.56362
   61    60 S   HC   _H13    49     1.09736   108.09858   171.81345
   62    60 S   HC   _H14    50     1.09679   109.56484    55.94970
   63    59 S   OS   _O35    66     1.39197   112.53281    22.57589
   64    59 S   CM   _C19    76     1.34101   126.25026  -150.72363
   65    64 S   HC   _H24    77     1.08764   118.54762   175.40483
   66    60 S   CT   _C5_    51     1.52949   113.56850   -67.25350
   67    66 S   HC   _H11    52     1.09562   109.88768   -55.80264
   68    66 S   HC   _H12    53     1.09491   110.61335    62.44655
   69    44 S   CT   _C15    67     1.52350   103.25180  -170.36593
   70    69 S   HC   _H6_    68     1.09575   113.03370   153.06331
   71    64 S   CT   _C20    78     1.50251   125.12356    -4.09343
   72    71 S   HC   _H25    79     1.09686   110.27221   -33.97661
   73    71 S   HC   _H26    80     1.09669   108.58703  -149.85655
   74    66 S   CT   _C4_    54     1.52135   111.10307  -176.88699
   75    74 S   HC   _H8_    55     1.09473   110.88870   -61.30942
   76    74 S   HC   _H9_    56     1.09391   110.42146   178.99245
   77    74 S   HC   _H10    57     1.09428   111.13348    59.07948
   78    69 S   CT   _C14    69     1.52875   106.23684    29.36765
   79    78 S   HC   _H20    70     1.09593   110.56450   113.52903
   80    78 S   HC   _H21    71     1.09595   112.00048  -126.74803
   81    71 S   CT   _C21    81     1.53004   111.54945    88.63702
   82    81 S   HC   _H27    82     1.09695   109.34821   -58.40915
   83    81 S   HC   _H28    83     1.09758   110.11344    58.27763
   84    81 S   CT   _C22    84     1.52657   111.61887  -179.97202
   85    84 S   HC   _H29    85     1.09648   109.62613    51.51223
   86    84 S   HC   _H30    86     1.09671   109.45067   -65.96691
   87    84 S   CO3  _C23    87     1.53100   114.60413   171.93900
   88    87 S   O2Z  _O34    88     1.26545   114.58624   171.28823
   89    87 S   O2Z  _O33    89     1.26084   116.55401    -9.56694
  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   9   5   4   3
  16   7   2   1   1  11   4  18   8   8   4  15   9  10   6   9
   5   4  10   5   4   5   1   9   5   4  10   9   5   4   8   9
   4   6   5   4   4   3   9   5   4   3   2   1   1   2   1   1
   8   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    40    41    44    45    51    69    78    46    47    54  
   38    39    42    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    49    50    56    40    41    44    46  
   42    43    48    40  
   41    44    45    51    52    53    59    63    69    70    78    79    80    46    47    54    55    42  
   44    45    51    69    78    46    47    54  
   43    48    49    50    56    57    58    60  
   48    49    50    56  
   45    51    52    53    59    63    69    70    78    79    80    46    47    54    64  
   51    52    53    59    63    69    70    78    46  
   47    54    55    51    63    69    70    78    79    80  
   54    55    69    78    79    80  
   49    50    56    57    58    60    61    62    66  
   50    56    57    58    60  
   56    57    58    60  
   52    53    59    63    69    70    78    64    65    71  
   53    59    63    69    64  
   59    63    69    64  
   55    69    78    79    80  
   78  
   57    58    60    61    62    66    67    68    74  
   58    60    61    62    66  
   60    61    62    66  
   63    69    70    78    64    65    71    72    73    81  
   61    62    66    67    68    74    75    76    77  
   62    66    67    68    74  
   66    67    68    74  
   69    70    78    79    80    64    65    71  
   65    71    72    73    81    82    83    84    69  
   71    72    73    81  
   67    68    74    75    76    77  
   68    74    75    76    77  
   74    75    76    77  
   70    78    79    80  
   78    79    80  
   72    73    81    82    83    84    85    86    87  
   73    81    82    83    84  
   81    82    83    84  
   75    76    77  
   76    77  
   77  
    0  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.120000   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    69   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   317.000  1.510
   59    63   440.000  1.360
   59    64   549.000  1.340
   63    69   320.000  1.410
   69    70   340.000  1.090
   69    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    46   268.000  1.529
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    55   553.000  0.945
   64    65   340.000  1.080
   64    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    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   317.000  1.522
   87    88   656.000  1.250
   87    89   656.000  1.250
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    46    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    48    49    45.00000  110.52000
   42    48    50    45.00000  110.52000
   42    48    56    70.00000  112.02700
   48    42    43    85.00000  112.85300
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    60    58.35000  112.70000
   50    48    49    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    50    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    66    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    74    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    77    37.50000  110.70000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    51    58.35000  112.70000
   40    44    69    58.35000  112.70000
   40    46    78    58.35000  112.70000
   40    46    47    37.50000  110.70000
   40    46    54    50.00000  109.50000
   44    40    41    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    59    70.00000  112.02700
   44    69    63    50.00000  109.50000
   44    69    70    37.50000  110.70000
   44    69    78    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    59    63    85.00000  112.85300
   51    59    64    70.00000  124.00000
   53    51    52    33.00000  107.80000
   59    51    52    35.00000  109.50000
   59    51    53    35.00000  109.50000
   59    63    69    90.00000  111.18400
   59    64    65    35.00000  120.00000
   59    64    71    70.00000  124.00000
   63    69    70    35.00000  109.50000
   63    69    78    50.00000  109.50000
   69    44    45    37.50000  110.70000
   69    44    51    58.35000  112.70000
   69    78    79    37.50000  110.70000
   69    78    80    37.50000  110.70000
   69    78    46    58.35000  112.70000
   78    69    70    37.50000  110.70000
   78    46    47    37.50000  110.70000
   78    46    54    50.00000  109.50000
   80    78    79    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    78    79    37.50000  110.70000
   46    78    80    37.50000  110.70000
   46    54    55    55.00000  108.50000
   54    46    47    35.00000  109.50000
   64    59    63    80.00000  120.01400
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    81    70.00000  112.02700
   71    64    65    35.00000  117.00000
   71    81    82    37.50000  110.70000
   71    81    83    37.50000  110.70000
   71    81    84    58.35000  112.70000
   73    71    72    33.00000  107.80000
   81    71    72    37.50000  110.70000
   81    71    73    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    70.00000  109.69300
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    70.00000  117.00000
   84    87    89    70.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    80.00000  126.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    51   0.56750  1.0 1.0
   33    40    44    51  -0.07550 -1.0 2.0
   33    40    44    51   0.20000  1.0 3.0
   33    40    44    69   0.56750  1.0 1.0
   33    40    44    69  -0.07550 -1.0 2.0
   33    40    44    69   0.20000  1.0 3.0
   33    40    46    78   0.56750  1.0 1.0
   33    40    46    78  -0.07550 -1.0 2.0
   33    40    46    78   0.20000  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    54   0.86500  1.0 1.0
   33    40    46    54  -0.17500 -1.0 2.0
   33    40    46    54   0.20800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    46   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    46   0.34400  1.0 1.0
   38    33    40    46   0.09450 -1.0 2.0
   38    33    40    46   0.11100  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.00000  1.0 1.0
   38    42    48    56   0.09850  1.0 1.0
   38    42    48    56   0.15250 -1.0 2.0
   38    42    48    56  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    48    56    57   0.15000  1.0 3.0
   42    48    56    58   0.15000  1.0 3.0
   42    48    56    60   0.34400  1.0 1.0
   42    48    56    60   0.09450 -1.0 2.0
   42    48    56    60   0.11100  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    56   0.09700  1.0 1.0
   43    42    48    56   0.15600 -1.0 2.0
   43    42    48    56  -0.50800  1.0 3.0
   48    56    60    61   0.15000  1.0 3.0
   48    56    60    62   0.15000  1.0 3.0
   48    56    60    66   0.56750  1.0 1.0
   48    56    60    66  -0.07550 -1.0 2.0
   48    56    60    66   0.20000  1.0 3.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    58   0.15000  1.0 3.0
   49    48    56    60   0.15000  1.0 3.0
   50    48    56    57   0.15000  1.0 3.0
   50    48    56    58   0.15000  1.0 3.0
   50    48    56    60   0.15000  1.0 3.0
   56    60    66    67   0.15000  1.0 3.0
   56    60    66    68   0.15000  1.0 3.0
   56    60    66    74   0.56750  1.0 1.0
   56    60    66    74  -0.07550 -1.0 2.0
   56    60    66    74   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    66   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    66   0.15000  1.0 3.0
   60    66    74    75   0.15000  1.0 3.0
   60    66    74    76   0.15000  1.0 3.0
   60    66    74    77   0.15000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    74   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    74   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    77   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    77   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    59   0.34400  1.0 1.0
   40    44    51    59   0.09450 -1.0 2.0
   40    44    51    59   0.11100  1.0 3.0
   40    44    69    63   0.62750  1.0 1.0
   40    44    69    63  -0.30950 -1.0 2.0
   40    44    69    63   0.27300  1.0 3.0
   40    44    69    70   0.15000  1.0 3.0
   40    44   -69    78   0.56750  1.0 1.0
   40    44   -69    78  -0.07550 -1.0 2.0
   40    44   -69    78   0.20000  1.0 3.0
   40    46    54    55  -0.11600  1.0 1.0
   40    46    54    55  -0.09450 -1.0 2.0
   40    46    54    55   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    44    69   0.15000  1.0 3.0
   41    40    46    78   0.15000  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    54   0.23400  1.0 3.0
   44    40   -46    78   0.56750  1.0 1.0
   44    40   -46    78  -0.07550 -1.0 2.0
   44    40   -46    78   0.20000  1.0 3.0
   44    40    46    47   0.15000  1.0 3.0
   44    40    46    54   0.86500  1.0 1.0
   44    40    46    54  -0.17500 -1.0 2.0
   44    40    46    54   0.20800  1.0 3.0
   44    51   -59    63   0.09700  1.0 1.0
   44    51   -59    63   0.15600 -1.0 2.0
   44    51   -59    63  -0.50800  1.0 3.0
   44    51    59    64   0.09850  1.0 1.0
   44    51    59    64   0.15250 -1.0 2.0
   44    51    59    64  -0.50650  1.0 3.0
   44    69    78    79   0.15000  1.0 3.0
   44    69    78    80   0.15000  1.0 3.0
   44    69   -78    46   0.56750  1.0 1.0
   44    69   -78    46  -0.07550 -1.0 2.0
   44    69   -78    46   0.20000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    59   0.15000  1.0 3.0
   45    44    69    63   0.23400  1.0 3.0
   45    44    69    70   0.15000  1.0 3.0
   45    44    69    78   0.15000  1.0 3.0
   51    44   -69    63   0.62750  1.0 1.0
   51    44   -69    63  -0.30950 -1.0 2.0
   51    44   -69    63   0.27300  1.0 3.0
   51    44    69    70   0.15000  1.0 3.0
   51    44    69    78   0.56750  1.0 1.0
   51    44    69    78  -0.07550 -1.0 2.0
   51    44    69    78   0.20000  1.0 3.0
   51    59   -63    69   2.00000 -1.0 2.0
   51    59    64    65   7.00000 -1.0 2.0
   51    59    64    71   7.00000 -1.0 2.0
   52    51    59    63   0.00000  1.0 1.0
   52    51    59    64   0.00000  1.0 1.0
   53    51    59    63   0.00000  1.0 1.0
   53    51    59    64   0.00000  1.0 1.0
   59    63   -69    44  -0.46850  1.0 1.0
   59    63   -69    44   0.09300 -1.0 2.0
   59    63   -69    44  -0.12850  1.0 3.0
   59    63    69    70   0.08050  1.0 3.0
   59    63    69    78  -0.46850  1.0 1.0
   59    63    69    78   0.09300 -1.0 2.0
   59    63    69    78  -0.12850  1.0 3.0
   59    64    71    72   0.00000  1.0 1.0
   59    64    71    73   0.00000  1.0 1.0
   59    64    71    81   0.09850  1.0 1.0
   59    64    71    81   0.15250 -1.0 2.0
   59    64    71    81  -0.50650  1.0 3.0
   63    59    64    65   7.00000 -1.0 2.0
   63    59    64    71   7.00000 -1.0 2.0
   63    69    78    79   0.23400  1.0 3.0
   63    69    78    80   0.23400  1.0 3.0
   63    69    78    46   0.62750  1.0 1.0
   63    69    78    46  -0.30950 -1.0 2.0
   63    69    78    46   0.27300  1.0 3.0
   69    44    51    52   0.15000  1.0 3.0
   69    44    51    53   0.15000  1.0 3.0
   69    44   -51    59   0.34400  1.0 1.0
   69    44   -51    59   0.09450 -1.0 2.0
   69    44   -51    59   0.11100  1.0 3.0
   69    78   -46    40   0.56750  1.0 1.0
   69    78   -46    40  -0.07550 -1.0 2.0
   69    78   -46    40   0.20000  1.0 3.0
   69    78    46    47   0.15000  1.0 3.0
   69    78    46    54   0.86500  1.0 1.0
   69    78    46    54  -0.17500 -1.0 2.0
   69    78    46    54   0.20800  1.0 3.0
   70    69    78    79   0.15000  1.0 3.0
   70    69    78    80   0.15000  1.0 3.0
   70    69    78    46   0.15000  1.0 3.0
   78    46    54    55  -0.11600  1.0 1.0
   78    46    54    55  -0.09450 -1.0 2.0
   78    46    54    55   0.21250  1.0 3.0
   79    78    46    40   0.15000  1.0 3.0
   79    78    46    47   0.15000  1.0 3.0
   79    78    46    54   0.23400  1.0 3.0
   80    78    46    40   0.15000  1.0 3.0
   80    78    46    47   0.15000  1.0 3.0
   80    78    46    54   0.23400  1.0 3.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    51   0.56750  1.0 1.0
   46    40    44    51  -0.07550 -1.0 2.0
   46    40    44    51   0.20000  1.0 3.0
   46    40   -44    69   0.56750  1.0 1.0
   46    40   -44    69  -0.07550 -1.0 2.0
   46    40   -44    69   0.20000  1.0 3.0
   47    46    54    55   0.19450  1.0 3.0
   64    59    63    69  -2.26850  1.0 1.0
   64    59    63    69   3.39050 -1.0 2.0
   64    71    81    82   0.15000  1.0 3.0
   64    71    81    83   0.15000  1.0 3.0
   64    71    81    84   0.34400  1.0 1.0
   64    71    81    84   0.09450 -1.0 2.0
   64    71    81    84   0.11100  1.0 3.0
   65    64    71    72   0.33100  1.0 3.0
   65    64    71    73   0.33100  1.0 3.0
   65    64    71    81   0.00000  1.0 1.0
   71    81    84    85   0.15000  1.0 3.0
   71    81    84    86   0.15000  1.0 3.0
   71    81    84    87  -1.63150  1.0 1.0
   71    81    84    87  -0.43550 -1.0 2.0
   71    81    84    87   0.24500  1.0 3.0
   72    71    81    82   0.15000  1.0 3.0
   72    71    81    83   0.15000  1.0 3.0
   72    71    81    84   0.15000  1.0 3.0
   73    71    81    82   0.15000  1.0 3.0
   73    71    81    83   0.15000  1.0 3.0
   73    71    81    84   0.15000  1.0 3.0
   81    84    87    88   0.41150 -1.0 2.0
   81    84    87    89   0.41150 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87  -0.11250  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  -0.11250  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   48    43    42    38  15.00000 -1.0 2.0
   51    63    59    64   1.10000 -1.0 2.0
   71    65    64    59   1.10000 -1.0 2.0
   88    84    87    89  10.50000 -1.0 2.0
END
