* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    161    251     460
    1     0 S   NP   _N1_     1    28.43370    97.70617   -23.21646
    2     1 S   H    _HN1     2     1.02958    70.40740     2.63522
    3     1 S   H    _H1_     3     1.02834    39.54025   159.59211
    4     1 S   H    _H2_     4     1.02781   106.04102  -101.53996
    5     1 S   CT   _CA1     5     1.50126   138.52033   101.58686
    6     5 S   HC   _HA1     6     1.09574   105.22384    94.40735
    7     5 S   CO3  _C1_     7     1.53785   112.39546   -25.81050
    8     7 S   O2Z  _O11     8     1.26364   115.00196   -43.58279
    9     7 S   O2Z  _O12     9     1.26238   114.93273   135.56585
   10     5 S   CT   _CB1    10     1.53088   107.41854  -147.66824
   11    10 S   HC   HB11    11     1.09828   109.33618   -50.54049
   12    10 S   HC   HB12    12     1.09817   110.41557    66.01025
   13    10 S   CT   _CG1    13     1.53017   112.68196  -171.61676
   14    13 S   HC   HG11    14     1.09592   110.49891   -64.28512
   15    13 S   HC   HG12    15     1.09655   109.92671    54.93740
   16    13 S   C    _CD1    16     1.51818   112.29052   175.31065
   17    16 S   O    _OE1    17     1.22737   123.25202     0.32626
   18    16 S   N    _N2_    18     1.38575   111.69954  -179.69481
   19    18 S   H    _HN2    19     1.01559   119.07090     3.78434
   20    18 S   CT1  _CA2    20     1.45983   122.88101   178.09115
   21    20 S   HC   _HA2    21     1.09645   109.99764    21.40874
   22    20 S   C    _C2_    22     1.52696   104.39063   -96.30636
   23    22 S   O    _O2_    23     1.23058   122.39943   -78.84805
   24    20 S   CT   _CB2    32     1.53306   111.76316   144.81443
   25    24 S   HC   HB21    33     1.09475   110.12108    51.68211
   26    24 S   HC   HB22    34     1.09332   109.25886   170.03802
   27    22 S   N    _N3_    24     1.38436   113.15916    96.52076
   28    27 S   H    _HN3    25     1.01691   120.22187     1.35768
   29    24 S   S    _SG2    35     1.83190   110.57325   -68.27197
   30    27 S   CT   _CA3    26     1.45341   122.34656  -178.01269
   31    30 S   HC   HA31    27     1.09570   107.47932   -61.93236
   32    30 S   HC   HA32    28     1.09575   107.86768    54.29209
   33    29 S   CT   _C7_    36     1.87056   101.99907  -162.88499
   34    30 S   CO3  _C3_    29     1.52857   114.61608   176.16386
   35    34 S   O2Z  _O31    30     1.26297   116.19634    -3.80575
   36    34 S   O2Z  _O32    31     1.26477   114.35079   176.37982
   37    33 S   CM   _C12    37     1.54438   109.83165    59.65608
   38    33 S   CT   _C6_    77     1.56232   104.52966   179.07740
   39    38 S   HC   _H8_    78     1.09814   109.73343    59.58313
   40    38 S   HC   _H9_    79     1.09573   111.08265   -57.75303
   41    37 S   N4   _N8_    38     1.35889   116.55488  -136.43586
   42    37 S   CMA  _C13    74     1.52686   122.05001    55.97417
   43    42 S   OM   _O35    75     1.26299   120.10851  -101.38687
   44    42 S   OM   _O36    76     1.26262   121.35731    80.07281
   45    38 S   S    _S1_    80     1.83335   114.90871   179.55238
   46    41 S   C4   _C11    39     1.34832   138.69571  -152.48440
   47    46 S   O    _O34    40     1.20882   134.09621   -15.64837
   48    41 S   C4T  _C9_    42     1.44213   122.76771    16.36134
   49    48 S   HC   _H3_    43     1.09950   111.40468    87.04626
   50    45 S   CRA  _C5_    81     1.72238   100.31440  -176.74954
   51    46 S   C4T  _C10    41     1.58882    89.20753   158.55328
   52    48 S   OS   _O33    44     1.43722   113.63214   -37.81758
   53    50 S   N5B  _N5_    82     1.31361   126.45065   100.56542
   54    33 S   CT   _C8_    45     1.56748   107.53860   -65.59627
   55    54 S   HC   _H10    46     1.09601   111.56709   -80.81119
   56    54 S   HC   _H11    47     1.09410   112.84088    38.98551
   57    51 S   N    _N9_    48     1.49023   111.84588  -101.08347
   58    57 S   H    _H12    49     1.01736   118.50768    98.23259
   59    51 S   OS   _O41    69     1.44942   112.14367   125.97240
   60    53 S   N5B  _N6_    83     1.37543   105.65510   179.72948
   61    57 S   C    _C14    50     1.38875   123.17043   -77.85225
   62    61 S   O    _O37    51     1.22844   124.18718    -2.36794
   63    59 S   CT   _C23    70     1.42041   116.39764  -168.00742
   64    63 S   HC   _H18    71     1.09304   108.42670   175.07705
   65    63 S   HC   _H19    72     1.09352   110.54949    55.92914
   66    63 S   HC   _H20    73     1.09337   110.34571   -65.99036
   67    60 S   N5A  _N7_    84     1.32731   111.13447    -0.15949
   68    61 S   CT   _C15    52     1.52297   112.35455   177.33178
   69    68 S   HC   _H4_    53     1.10056   106.46478    38.87863
   70    50 S   NA   _N4_    85     1.36358   124.76521   -80.49221
   71    68 S   CA   _C16    54     1.51670   113.43137   -79.50409
   72    68 S   CO3  _C22    66     1.53367   110.25819   154.88266
   73    72 S   O2Z  _O40    67     1.26310   116.94990    83.91733
   74    72 S   O2Z  _O39    68     1.26672   114.22114   -96.05723
   75    70 S   CT   _C4_    86     1.43687   130.67405     0.69549
   76    75 S   HC   _H5_    87     1.09222   108.31992    82.23670
   77    75 S   HC   _H6_    88     1.09346   109.24749  -158.08258
   78    75 S   HC   _H7_    89     1.09124   109.55106   -38.78237
   79    71 S   CA   _C17    55     1.40517   119.26832   146.09569
   80    79 S   HA   _H13    56     1.08753   120.24219    -0.79475
   81    79 S   CA   _C18    57     1.39589   120.82517   179.24179
   82    81 S   HA   _H14    58     1.08607   119.87927   179.58599
   83    81 S   CA   _C19    59     1.39037   119.57462    -0.34774
   84    83 S   CA   _C20    60     1.39172   120.70991    -0.03426
   85    84 S   HA   _H15    61     1.08598   121.06545  -179.96044
   86    83 S   OH   _O38    64     1.36623   118.27332   179.86012
   87    86 S   HO   _H17    65     0.97240   108.40546   179.86583
   88    71 S   CA   _C21    62     1.40448   122.19799   -35.45460
   89    88 S   HA   _H16    63     1.08739   120.69950     0.41871
  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  12   5   4   3
  16   2   1   1  17  12   4   3  12   5   1   1   7  10   4  11
   5   8  12   5   4   2   1   1   9   4   5   3   9   4   3   2
   1   1   5  11   6   4  12   4   1   1   3   2   1   1   8   4
   7   3   6   5   3   2   1   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    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    52    54    55    56    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    52    54    55    56    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    51    48    49    52    54    55    56    42    43    44    38    39    40    45  
   39    40    45    50    53    70    41    42    52    54    55    56  
   40    45    50    54  
   45    50    54  
   46    47    51    48    49    52    54    57    59    42    43    44  
   43    44    46    48    54  
   44  
    0  
   50    53    60    67    70    75    54  
   47    51    48    49    52    57    58    61    59    63  
   51    48    57    59  
   49    52    54    55    56    57    58    61    59    63    51  
   52    54    57    59    51  
   53    60    67    70    75    76    77    78  
   52    54    57    58    61    62    68    59    63    64    65    66  
   54    55    56    57    59  
   60    67    70    75  
   55    56  
   56  
    0  
   58    61    62    68    69    71    72    59    63  
   61    62    68    59  
   63    64    65    66    61  
   67    70    75  
   62    68    69    71    79    88    72    73    74  
   68    69    71    72  
   64    65    66  
   65    66  
   66  
    0  
   70    75    76    77    78  
   69    71    79    80    81    84    88    89    72    73    74  
   71    79    88    72    73    74  
   75    76    77    78  
   79    80    81    82    83    84    85    88    89    72    73    74  
   73    74    79    88  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    88    89    86  
   81    82    83    88  
   82    83    84    85    88    86    87  
   83    84    86  
   84    85    88    89    86    87  
   85    88    89    86    87  
   88    89    86  
   87    88  
    0  
   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   0.167500   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  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.6000   0.3550  -0.320000   2.0300   1.8000   0.025682759  -1.666211680
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.552100   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.2800   0.1700  -0.392400   1.8000   1.6000   0.001000000  -0.511443539
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.2800   0.1700  -0.040200   1.8650   1.6500   0.001000000  -0.511443539
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2800   0.1700  -0.248300   1.8650   1.6500   0.001000000  -0.511443539
   68   3.5000   0.0660  -0.045000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.2500   0.1700   0.158800   1.8000   1.6000   0.001000000  -0.511443539
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.057500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    54   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    51   250.000  1.540
   51    48   268.000  1.529
   51    57   337.000  1.449
   51    59   320.000  1.410
   48    49   340.000  1.090
   48    52   320.000  1.410
   52    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   57    58   434.000  1.010
   57    61   490.000  1.335
   61    62   570.000  1.229
   61    68   317.000  1.522
   68    69   340.000  1.090
   68    71   317.000  1.510
   68    72   317.000  1.522
   71    79   469.000  1.400
   71    88   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   469.000  1.400
   83    86   450.000  1.364
   84    85   367.000  1.080
   84    88   469.000  1.400
   88    89   367.000  1.080
   86    87   553.000  0.945
   72    73   656.000  1.250
   72    74   656.000  1.250
   59    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   222.000  1.810
   45    50   245.000  1.755
   50    53   488.000  1.335
   50    70   477.000  1.343
   53    60   290.000  1.379
   60    67   420.000  1.291
   67    70   400.000  1.349
   70    75   320.000  1.443
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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    54    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    54    52    50.00000  109.50000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  111.63000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    51    95.00000   92.72400
   41    48    51   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    52    95.00000  111.00000
   46    51    48   100.00000   86.36000
   46    51    57    75.00000  110.24000
   46    51    59    90.00000  108.55600
   51    46    47    60.00000  136.58000
   51    48    49    37.50000  110.70000
   51    48    52    50.00000  109.50000
   51    57    58    38.00000  118.40000
   51    57    61    50.00000  121.90000
   51    59    63    60.00000  109.50000
   48    41    46   100.00000   93.00000
   48    52    54    60.00000  109.50000
   52    48    49    35.00000  109.50000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    51    48    80.00000  110.05700
   57    61    62    80.00000  122.90000
   57    61    68    70.00000  116.60000
   61    57    58    35.00000  119.80000
   61    68    69    35.00000  109.50000
   61    68    71    70.00000  109.44300
   61    68    72    75.00000  103.47400
   68    61    62    80.00000  120.40000
   68    71    79    70.00000  120.00000
   68    71    88    70.00000  120.00000
   68    72    73    70.00000  117.00000
   68    72    74    70.00000  117.00000
   71    68    69    35.00000  109.50000
   71    79    80    35.00000  120.00000
   71    79    81    63.00000  120.00000
   71    88    84    63.00000  120.00000
   71    88    89    35.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    63.00000  120.00000
   81    83    86    70.00000  120.00000
   83    81    82    35.00000  120.00000
   83    84    85    35.00000  120.00000
   83    84    88    63.00000  120.00000
   83    86    87    35.00000  113.00000
   84    88    89    35.00000  120.00000
   88    71    79    63.00000  120.00000
   88    84    85    35.00000  120.00000
   86    83    84    70.00000  120.00000
   72    68    69    35.00000  109.50000
   72    68    71    70.00000  106.62600
   74    72    73    80.00000  126.00000
   59    51    48    50.00000  109.50000
   59    51    57    95.00000  111.00000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    54    58.35000  112.70000
   38    45    50    85.00000   97.05500
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    53    70.00000  126.12900
   45    50    70    70.00000  123.45500
   50    53    60   100.00000  108.10500
   50    70    67    95.00000  110.06400
   50    70    75    60.00000  127.66100
   53    60    67   100.00000  111.97400
   60    67    70   110.00000  106.81600
   67    70    75    75.00000  118.68000
   70    50    53    70.00000  120.00000
   70    75    76    50.00000  108.61900
   70    75    77    50.00000  108.61900
   70    75    78    50.00000  108.61900
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    54    52   0.56750  1.0 1.0
   29    33    54    52  -0.07550 -1.0 2.0
   29    33    54    52   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.35400  1.0 1.0
   33    38    45    50  -0.24450 -1.0 2.0
   33    38    45    50   0.44000  1.0 3.0
   37    33    54    52   0.61850  1.0 1.0
   37    33    54    52  -0.22750 -1.0 2.0
   37    33    54    52   0.15300  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    51   3.00000 -1.0 2.0
   37    41   -48    51   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    52   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46   -51    48   3.00000 -1.0 2.0
   41    46    51    57   0.00000  1.0 1.0
   41    46    51    59   0.00000  1.0 1.0
   41    48    52    54  -2.37750  1.0 1.0
   41    48    52    54  -0.08150 -1.0 2.0
   41    48    52    54   0.59000  1.0 3.0
   46    41   -48    51   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    52   0.00000  1.0 1.0
   46    51   -48    41   3.00000 -1.0 2.0
   46    51   -48    49   0.15000  1.0 3.0
   46    51   -48    52  -0.09450  1.0 1.0
   46    51   -48    52  -1.12950 -1.0 2.0
   46    51   -48    52   0.54000  1.0 3.0
   46    51    57    58   0.00000  1.0 1.0
   46    51    57    61  -0.42300  1.0 1.0
   46    51    57    61  -0.07000 -1.0 2.0
   46    51    57    61   0.04150  1.0 3.0
   46    51    59    63  -1.11000  1.0 1.0
   46    51    59    63   0.50250 -1.0 2.0
   46    51    59    63   0.47450  1.0 3.0
   47    46    51    48  -0.11250  1.0 1.0
   47    46    51    48   0.11400 -1.0 2.0
   47    46    51    48  -0.28950  1.0 3.0
   47    46    51    57   0.30150 -1.0 2.0
   47    46    51    59   0.30150 -1.0 2.0
   51    48    52    54   0.06250  1.0 1.0
   51    48    52    54  -0.01100 -1.0 2.0
   51    48    52    54   0.28050  1.0 3.0
   51    57    61    62   3.04450 -1.0 2.0
   51    57    61    68   1.49850  1.0 1.0
   51    57    61    68   1.53950 -1.0 2.0
   51    59    63    64   0.37050  1.0 3.0
   51    59    63    65   0.37050  1.0 3.0
   51    59    63    66   0.37050  1.0 3.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    51   3.00000 -1.0 2.0
   48    51    57    58   0.00000  1.0 1.0
   48    51    57    61  -0.43950  1.0 1.0
   48    51    57    61  -0.08100 -1.0 2.0
   48    51    57    61   0.03350  1.0 3.0
   48    51    59    63   0.06250  1.0 1.0
   48    51    59    63  -0.01100 -1.0 2.0
   48    51    59    63   0.28050  1.0 3.0
   48    52   -54    33   0.06250  1.0 1.0
   48    52   -54    33  -0.01100 -1.0 2.0
   48    52   -54    33   0.28050  1.0 3.0
   48    52    54    55   0.37050  1.0 3.0
   48    52    54    56   0.37050  1.0 3.0
   49    48    52    54   0.37050  1.0 3.0
   54    33   -37    41  -0.93550  1.0 1.0
   54    33   -37    41   0.38900 -1.0 2.0
   54    33   -37    41   0.16950  1.0 3.0
   54    33    37    42   0.09850  1.0 1.0
   54    33    37    42   0.15250 -1.0 2.0
   54    33    37    42  -0.50650  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33    38    45   0.44750  1.0 1.0
   54    33    38    45  -0.17800 -1.0 2.0
   54    33    38    45   0.20200  1.0 3.0
   57    51   -48    41   2.20050  1.0 1.0
   57    51   -48    41   0.63450 -1.0 2.0
   57    51   -48    41  -0.91300  1.0 3.0
   57    51    48    49   0.15000  1.0 3.0
   57    51    48    52   1.12100  1.0 1.0
   57    51    48    52  -0.16500 -1.0 2.0
   57    51    59    63  -2.37750  1.0 1.0
   57    51    59    63  -0.08150 -1.0 2.0
   57    51    59    63   0.59000  1.0 3.0
   57    61    68    69   0.00000  1.0 1.0
   57    61    68    71   0.00000  1.0 1.0
   57    61    68    72   0.00000  1.0 1.0
   58    57    61    62   2.45000 -1.0 2.0
   58    57    61    68   2.45000 -1.0 2.0
   61    68    71    79   0.04300 -1.0 2.0
   61    68    71    88   0.04300 -1.0 2.0
   61    68    72    73   0.30150 -1.0 2.0
   61    68    72    74   0.30150 -1.0 2.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    71   0.30150 -1.0 2.0
   62    61    68    72   0.30150 -1.0 2.0
   68    71    79    80   3.62500 -1.0 2.0
   68    71    79    81   3.62500 -1.0 2.0
   68    71    88    84   3.62500 -1.0 2.0
   68    71    88    89   3.62500 -1.0 2.0
   69    68    71    79   0.00000  1.0 1.0
   69    68    71    88   0.00000  1.0 1.0
   69    68    72    73   0.00000  1.0 1.0
   69    68    72    74   0.00000  1.0 1.0
   71    68    72    73   0.30150 -1.0 2.0
   71    68    72    74   0.30150 -1.0 2.0
   71    79    81    82   3.62500 -1.0 2.0
   71    79    81    83   3.62500 -1.0 2.0
   79    71    88    84   3.62500 -1.0 2.0
   79    71    88    89   3.62500 -1.0 2.0
   79    81   -83    84   3.62500 -1.0 2.0
   79    81    83    86   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83    84    85   3.62500 -1.0 2.0
   81    83    84    88   3.62500 -1.0 2.0
   81    83    86    87   0.84100 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    86   3.62500 -1.0 2.0
   83    84   -88    71   3.62500 -1.0 2.0
   83    84    88    89   3.62500 -1.0 2.0
   84    83    86    87   0.84100 -1.0 2.0
   85    84    88    71   3.62500 -1.0 2.0
   85    84    88    89   3.62500 -1.0 2.0
   88    71    79    80   3.62500 -1.0 2.0
   88    71   -79    81   3.62500 -1.0 2.0
   86    83    84    85   3.62500 -1.0 2.0
   86    83    84    88   3.62500 -1.0 2.0
   72    68    71    79   0.04300 -1.0 2.0
   72    68    71    88   0.04300 -1.0 2.0
   59    51   -48    41   1.12100  1.0 1.0
   59    51   -48    41  -0.16500 -1.0 2.0
   59    51    48    49   0.15000  1.0 3.0
   59    51    48    52   1.11900  1.0 1.0
   59    51    48    52  -1.16350 -1.0 2.0
   59    51    48    52  -0.34150  1.0 3.0
   59    51    57    58   0.00000  1.0 1.0
   59    51    57    61  -2.75650  1.0 1.0
   59    51    57    61  -1.18150 -1.0 2.0
   59    51    57    61   0.81900  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    54    52   0.62750  1.0 1.0
   38    33    54    52  -0.30950 -1.0 2.0
   38    33    54    52   0.27300  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    56   0.15000  1.0 3.0
   38    45    50    53   0.63150 -1.0 2.0
   38    45    50    70   0.63150 -1.0 2.0
   39    38    45    50   0.24000  1.0 3.0
   40    38    45    50   0.24000  1.0 3.0
   45    50    53    60   3.62500 -1.0 2.0
   45    50    70    67   3.62500 -1.0 2.0
   45    50    70    75   3.62500 -1.0 2.0
   50    53   -60    67   3.62500 -1.0 2.0
   50    70    75    76   0.00000  1.0 1.0
   50    70    75    77   0.00000  1.0 1.0
   50    70    75    78   0.00000  1.0 1.0
   53    50   -70    67   3.62500 -1.0 2.0
   53    50    70    75   3.62500 -1.0 2.0
   53    60   -67    70   3.62500 -1.0 2.0
   60    67   -70    50   3.62500 -1.0 2.0
   60    67    70    75   3.62500 -1.0 2.0
   67    70    75    76   0.00000  1.0 1.0
   67    70    75    77   0.00000  1.0 1.0
   67    70    75    78   0.00000  1.0 1.0
   70    50   -53    60   3.62500 -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    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
   58    61    57    51   1.00000 -1.0 2.0
   57    68    61    62  10.50000 -1.0 2.0
   79    88    71    68   4.00000 -1.0 2.0
   81    80    79    71   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   84    86    83    81   4.00000 -1.0 2.0
   88    85    84    83   1.10000 -1.0 2.0
   84    89    88    71   1.10000 -1.0 2.0
   73    68    72    74  10.50000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   53    70    50    45   4.00000 -1.0 2.0
   67    75    70    50   4.00000 -1.0 2.0
END
