* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    157    253     463
    1     0 S   NP   _N1_     1    28.80940    94.64679   -20.53394
    2     1 S   H    _HN1     2     1.02961    91.68350    36.48506
    3     1 S   H    _H1_     3     1.02834    31.07680   157.89150
    4     1 S   H    _H2_     4     1.02775    88.22621   -71.76279
    5     1 S   CT   _CA1     5     1.50143   141.75162   163.39977
    6     5 S   HC   _HA1     6     1.09592   105.18141    56.14047
    7     5 S   CO3  _C1_     7     1.53749   112.17758   -63.76128
    8     7 S   O2Z  _O11     8     1.26338   114.97961   -49.10471
    9     7 S   O2Z  _O12     9     1.26249   114.84168   129.69397
   10     5 S   CT   _CB1    10     1.53088   107.34211   173.65582
   11    10 S   HC   HB11    11     1.09816   109.03497   -53.04907
   12    10 S   HC   HB12    12     1.09816   110.57177    63.39649
   13    10 S   CT   _CG1    13     1.52987   112.71346  -174.31118
   14    13 S   HC   HG11    14     1.09563   110.17154   -66.30543
   15    13 S   HC   HG12    15     1.09651   110.11784    52.78060
   16    13 S   C    _CD1    16     1.51892   112.34864   172.79739
   17    16 S   O    _OE1    17     1.22732   123.21928    -8.33988
   18    16 S   N    _N2_    18     1.38606   111.71279   172.69811
   19    18 S   H    _HN2    19     1.01571   118.89980    -0.08623
   20    18 S   CT1  _CA2    20     1.46323   123.51126   179.28783
   21    20 S   HC   _HA2    21     1.09736   109.30281   -16.07770
   22    20 S   C    _C2_    22     1.53459   108.01069  -131.60317
   23    22 S   O    _O2_    23     1.23004   122.32169  -145.48437
   24    20 S   CT   _CB2    32     1.53423   111.60837   106.30347
   25    24 S   HC   HB21    33     1.09596   109.66048    52.87468
   26    24 S   HC   HB22    34     1.09501   110.77265   171.87085
   27    22 S   N    _N3_    24     1.38530   113.30830    41.79768
   28    27 S   H    _HN3    25     1.01533   118.90862    -0.46772
   29    24 S   S    _SG2    35     1.82527   111.89058   -68.43456
   30    27 S   CT   _CA3    26     1.45443   123.46780   175.21631
   31    30 S   HC   HA31    27     1.09522   109.25675    24.04621
   32    30 S   HC   HA32    28     1.09496   107.11671   141.06073
   33    29 S   CT   _C22    36     1.82445    98.89107   165.23817
   34    33 S   HC   _H20    37     1.09278   108.18633   -48.85561
   35    33 S   HC   _H21    38     1.09473   108.56709    68.66580
   36    30 S   CO3  _C3_    29     1.52920   113.09597   -99.44055
   37    36 S   O2Z  _O31    30     1.26403   115.40163   -44.34763
   38    36 S   O2Z  _O32    31     1.26352   114.97786   136.57671
   39    33 S   CT   _C14    39     1.53374   110.93916  -170.13937
   40    39 S   HC   _H5_    40     1.09600   109.42830   -58.32093
   41    39 S   CT   _C13    41     1.53721   111.52107   177.36463
   42    41 S   HC   _H4_    42     1.09536   112.97292    29.24786
   43    41 S   CT   _C16    43     1.52344   102.08377   -91.76695
   44    43 S   HC   _H7_    44     1.09579   110.04938    81.58740
   45    41 S   N    _N4_    64     1.46226   111.22564   149.14996
   46    45 S   H    _H14    65     1.01597   117.90117   104.84315
   47    43 S   CO   _C15    45     1.52074   101.59796   -36.72758
   48    47 S   HC   _H6_    46     1.09668   110.94102   -83.04021
   49    43 S   OH   _O35    62     1.41579   113.20990  -156.91463
   50    49 S   HO   _H15    63     0.97288   107.41701   -59.08292
   51    45 S   C    _C12    66     1.38719   122.80691   -74.86328
   52    51 S   O    _O33    67     1.22932   124.05622    -0.29936
   53    47 S   N*   _N5_    47     1.44849   115.42428   154.85192
   54    39 S   OS   _O34    61     1.44571   109.80822    59.82593
   55    51 S   CT1  _C11    68     1.53106   112.49006   178.47120
   56    55 S   HC   _H3_    69     1.09643   109.43406    31.23135
   57    53 S   CRAB _C17    48     1.37101   124.73584   116.11125
   58    57 S   HA   _H16    49     1.08186   122.53131    -1.60303
   59    55 S   CT   _C10    70     1.53782   110.91231   -91.34470
   60    59 S   HC   _H12    71     1.09853   110.11064   -53.90072
   61    59 S   HC   _H13    72     1.09862   110.15091  -170.24494
   62    55 S   NT   _N10    85     1.46590   107.80242   148.41896
   63    62 S   H    _H22    86     1.01945   109.66401   -61.44492
   64    62 S   H    _H23    87     1.01915   109.72525  -177.87938
   65    57 S   NNA  _N6_    50     1.31559   112.12032   178.06488
   66    59 S   CA   _C9_    73     1.51175   113.42898    69.14361
   67    65 S   C56B _C18    51     1.37525   104.98535    -0.15577
   68    66 S   CA   _C4_    74     1.40222   120.47224  -107.95870
   69    68 S   HA   _H8_    75     1.08736   120.44227    -0.75485
   70    53 S   C56A _C19    52     1.36883   128.09458   -65.91437
   71    68 S   CA   _C5_    76     1.39539   120.51844   178.49364
   72    71 S   HA   _H9_    77     1.08632   119.83952  -179.37882
   73    70 S   NB   _N7_    53     1.34139   128.16043     2.17187
   74    71 S   CA   _C6_    78     1.39128   119.62677     0.15826
   75    73 S   CQ   _C20    54     1.34557   110.96307  -179.56614
   76    75 S   HA   _H17    55     1.08464   115.79797  -179.92087
   77    74 S   CA   _C7_    79     1.39245   120.74968     0.24228
   78    77 S   HA   _H10    80     1.08599   120.98230   179.89532
   79    74 S   OH   _O36    83     1.36602   118.17827  -179.52770
   80    79 S   HO   _H24    84     0.97233   108.64451  -179.42054
   81    75 S   NB   _N8_    56     1.35178   128.60911     0.15451
   82    66 S   CA   _C8_    81     1.40280   120.49836    71.05523
   83    82 S   HA   _H11    82     1.08738   120.28030     1.22621
   84    67 S   CA   _C21    57     1.40384   131.66723  -179.37286
   85    84 S   NND  _N9_    58     1.38130   122.19808     0.76182
   86    85 S   H    _H18    59     1.01068   120.19749     4.10604
   87    85 S   H    _H19    60     1.01058   118.99512   173.92823
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  13   6  14   8  12   7  10   3  11   5
   3   1  10   4   9   2  10   7   6   3  12   5   4   3   1   1
   6   9   8   8   4   6   7   3   4   6   4   2   5   3   2   1
   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    54  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    54    45  
   35    39    40    41    54  
   39    40    41    54  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    53    54    49    45    46    51  
   41    42    43    47    54    45  
   42    43    44    47    48    53    54    49    50    45    46    51    52    55  
   43    44    47    54    49    45    46    51  
   44    47    48    53    57    70    54    49    50    45    46    51  
   47    48    53    54    49    50    45  
   46    51    52    55    56    59    62    47    49    54  
   51    52    55  
   48    53    57    58    65    67    70    73    54    49    50  
   53    57    70    54    49  
   50    53    54  
    0  
   52    55    56    59    60    61    66    62    63    64  
   55    56    59    62  
   57    58    65    67    70    73    75    84    54  
   57    70  
   56    59    60    61    66    68    82    62    63    64  
   59    60    61    66    62    63    64  
   58    65    67    70    73    84  
   65    67    70  
   60    61    66    68    69    71    77    82    83    62    63    64  
   61    66    68    82    62  
   66    68    82    62  
   63    64    66  
   64  
    0  
   67    70    73    81    84    85  
   68    69    71    72    74    77    78    82    83  
   70    73    75    81    84    85    86    87  
   69    71    72    74    77    82    83    79  
   71    72    74    82  
   73    75    76    81    84    85  
   72    74    77    78    82    79    80  
   74    77    79  
   75    76    81    84  
   77    78    82    83    79    80  
   76    81    84    85  
   81    84  
   78    82    83    79    80  
   82    83    79  
   80    82  
    0  
   84    85    86    87  
   83  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   86   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    54   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   337.000  1.449
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    53   275.000  1.479
   47    54   320.000  1.380
   53    57   440.000  1.371
   53    70   436.000  1.374
   57    58   367.000  1.080
   57    65   529.000  1.304
   65    67   414.000  1.391
   67    70   447.000  1.419
   67    84   469.000  1.404
   70    73   461.000  1.354
   73    75   502.000  1.324
   75    76   367.000  1.080
   75    81   502.000  1.324
   81    84   483.000  1.339
   84    85   481.000  1.340
   85    86   434.000  1.010
   85    87   434.000  1.010
   49    50   553.000  0.945
   45    46   434.000  1.010
   45    51   490.000  1.335
   51    52   570.000  1.229
   51    55   317.000  1.522
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   305.000  1.457
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   317.000  1.510
   66    68   469.000  1.400
   66    82   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    77   469.000  1.400
   74    79   450.000  1.364
   77    78   367.000  1.080
   77    82   469.000  1.400
   82    83   367.000  1.080
   79    80   553.000  0.945
   62    63   434.000  1.010
   62    64   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    54    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    70.00000  110.72300
   39    54    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    49    50.00000  109.50000
   41    45    46    38.00000  118.40000
   41    45    51    50.00000  121.90000
   43    41    42    37.50000  110.70000
   43    47    48    45.00000  112.01100
   43    47    53    75.00000  107.44000
   43    47    54    90.00000  108.56700
   43    49    50    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    53    57    70.00000  128.80000
   47    53    70    70.00000  125.80000
   53    47    48    55.00000  103.44000
   53    57    58    35.00000  123.05000
   53    57    65    70.00000  113.90000
   53    70    67    70.00000  106.20000
   53    70    73    70.00000  126.20000
   57    65    67    70.00000  103.80000
   65    57    58    35.00000  123.05000
   65    67    70    70.00000  110.40000
   65    67    84    70.00000  132.40000
   67    70    73    70.00000  127.70000
   67    84    81    70.00000  117.30000
   67    84    85    70.00000  123.50000
   70    53    57    70.00000  105.40000
   70    73    75    70.00000  111.00000
   73    75    76    35.00000  115.45000
   73    75    81    70.00000  129.10000
   75    81    84    70.00000  118.60000
   81    75    76    35.00000  115.45000
   81    84    85    70.00000  119.30000
   84    67    70    85.00000  116.20000
   84    85    86    35.00000  120.00000
   84    85    87    35.00000  120.00000
   87    85    86    35.00000  120.00000
   54    39    40    35.00000  109.50000
   54    39    41    50.00000  109.50000
   54    47    48    35.00000  109.50000
   54    47    53   105.00000  106.22000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    70.00000  110.72300
   45    51    52    80.00000  122.90000
   45    51    55    70.00000  116.60000
   51    45    46    35.00000  119.80000
   51    55    56    35.00000  109.50000
   51    55    59    63.00000  111.10000
   51    55    62    75.00000  111.54000
   55    51    52    80.00000  120.40000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    66    63.00000  114.00000
   55    62    63    50.00000  111.55300
   55    62    64    50.00000  111.55300
   59    55    56    37.50000  110.70000
   59    66    68    70.00000  120.00000
   59    66    82    70.00000  120.00000
   61    59    60    33.00000  107.80000
   66    59    60    35.00000  109.50000
   66    59    61    35.00000  109.50000
   66    68    69    35.00000  120.00000
   66    68    71    63.00000  120.00000
   66    82    77    63.00000  120.00000
   66    82    83    35.00000  120.00000
   68    71    72    35.00000  120.00000
   68    71    74    63.00000  120.00000
   71    68    69    35.00000  120.00000
   71    74    77    63.00000  120.00000
   71    74    79    70.00000  120.00000
   74    71    72    35.00000  120.00000
   74    77    78    35.00000  120.00000
   74    77    82    63.00000  120.00000
   74    79    80    35.00000  113.00000
   77    82    83    35.00000  120.00000
   82    66    68    63.00000  120.00000
   82    77    78    35.00000  120.00000
   79    74    77    70.00000  120.00000
   62    55    56    50.00000  109.55000
   62    55    59    80.00000  111.22000
   64    62    63    43.60000  106.40000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.43900  1.0 1.0
   33    39    41    45   0.49100 -1.0 2.0
   33    39    41    45   0.28400  1.0 3.0
   33    39    54    47   0.06250  1.0 1.0
   33    39    54    47  -0.01100 -1.0 2.0
   33    39    54    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    54   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    54   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46   0.00000  1.0 1.0
   39    41    45    51  -0.43950  1.0 1.0
   39    41    45    51  -0.08100 -1.0 2.0
   39    41    45    51   0.03350  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    54    47   0.37050  1.0 3.0
   41    39   -54    47   0.06250  1.0 1.0
   41    39   -54    47  -0.01100 -1.0 2.0
   41    39   -54    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    53  -0.64600  1.0 1.0
   41    43    47    53   0.58400 -1.0 2.0
   41    43   -47    54   0.62750  1.0 1.0
   41    43   -47    54  -0.30950 -1.0 2.0
   41    43   -47    54   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   41    45    51    52   3.04450 -1.0 2.0
   41    45    51    55   1.15000  1.0 1.0
   41    45    51    55   3.04450 -1.0 2.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    51   0.00000  1.0 1.0
   43    41    45    46   0.00000  1.0 1.0
   43    41    45    51  -0.43950  1.0 1.0
   43    41    45    51  -0.08100 -1.0 2.0
   43    41    45    51   0.03350  1.0 3.0
   43    47    53    57   1.10250  1.0 1.0
   43    47    53    57   0.01650 -1.0 2.0
   43    47    53    57   0.39100  1.0 3.0
   43    47    53    70   1.10250  1.0 1.0
   43    47    53    70   0.01650 -1.0 2.0
   43    47    53    70   0.39100  1.0 3.0
   43    47   -54    39   0.06250  1.0 1.0
   43    47   -54    39  -0.01100 -1.0 2.0
   43    47   -54    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   44    43    47    54   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    53    57    58   3.62500 -1.0 2.0
   47    53    57    65   3.62500 -1.0 2.0
   47    53    70    67   0.81400  1.0 1.0
   47    53    70    67   1.55550 -1.0 2.0
   47    53    70    73   3.62500 -1.0 2.0
   48    47    53    57   0.00000  1.0 1.0
   48    47    53    70   0.00000  1.0 1.0
   48    47    54    39   0.37050  1.0 3.0
   53    47    54    39  -2.37750  1.0 1.0
   53    47    54    39  -0.08150 -1.0 2.0
   53    47    54    39   0.59000  1.0 3.0
   53    57   -65    67   3.62500 -1.0 2.0
   53    70    73    75   3.62500 -1.0 2.0
   57    53   -70    67   0.70250  1.0 1.0
   57    53   -70    67   1.56150 -1.0 2.0
   57    53    70    73   3.62500 -1.0 2.0
   57    65   -67    70   3.62500 -1.0 2.0
   57    65    67    84   3.62500 -1.0 2.0
   58    57    65    67   3.62500 -1.0 2.0
   65    67   -70    53   3.62500 -1.0 2.0
   65    67    70    73   3.62500 -1.0 2.0
   65    67    84    81   3.62500 -1.0 2.0
   65    67    84    85   3.62500 -1.0 2.0
   67    70    73    75   3.62500 -1.0 2.0
   67    84    85    86   0.70000 -1.0 2.0
   67    84    85    87   0.70000 -1.0 2.0
   70    53    57    58   3.62500 -1.0 2.0
   70    53   -57    65   3.62500 -1.0 2.0
   70    67    84    81   3.62500 -1.0 2.0
   70    67    84    85   3.62500 -1.0 2.0
   70    73    75    76   3.62500 -1.0 2.0
   70    73   -75    81   3.62500 -1.0 2.0
   73    75    81    84   3.62500 -1.0 2.0
   75    81   -84    67   3.62500 -1.0 2.0
   75    81    84    85   3.62500 -1.0 2.0
   76    75    81    84   3.62500 -1.0 2.0
   81    84    85    86   0.70000 -1.0 2.0
   81    84    85    87   0.70000 -1.0 2.0
   84    67    70    53   3.00000 -1.0 2.0
   84    67   -70    73   3.62500 -1.0 2.0
   54    39    41    42   0.23400  1.0 3.0
   54    39   -41    43   0.62750  1.0 1.0
   54    39   -41    43  -0.30950 -1.0 2.0
   54    39   -41    43   0.27300  1.0 3.0
   54    39    41    45   1.12100  1.0 1.0
   54    39    41    45  -0.16500 -1.0 2.0
   54    47    53    57   0.10350  1.0 1.0
   54    47    53    57  -0.15350 -1.0 2.0
   54    47    53    70   0.10350  1.0 1.0
   54    47    53    70  -0.15350 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    53   2.76900  1.0 1.0
   49    43    47    53  -0.24350 -1.0 2.0
   49    43    47    53  -0.78250  1.0 3.0
   49    43    47    54   3.69350  1.0 1.0
   49    43    47    54  -1.82950 -1.0 2.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    47  -0.27100  1.0 1.0
   45    41    43    47  -0.01700 -1.0 2.0
   45    41    43    47  -0.48600  1.0 3.0
   45    41    43    49   2.76900  1.0 1.0
   45    41    43    49  -0.24350 -1.0 2.0
   45    41    43    49  -0.78250  1.0 3.0
   45    51    55    56   0.00000  1.0 1.0
   45    51    55    59   0.93250  1.0 1.0
   45    51    55    59   0.04450 -1.0 2.0
   45    51    55    59   0.17550  1.0 3.0
   45    51    55    62   0.00000  1.0 1.0
   46    45    51    52   2.45000 -1.0 2.0
   46    45    51    55   2.45000 -1.0 2.0
   51    55    59    60  -0.03800  1.0 3.0
   51    55    59    61  -0.03800  1.0 3.0
   51    55    59    66  -0.84850  1.0 1.0
   51    55    59    66  -0.22800 -1.0 2.0
   51    55    59    66   0.29250  1.0 3.0
   51    55    62    63   0.21900  1.0 1.0
   51    55    62    63  -0.24900 -1.0 2.0
   51    55    62    63   0.15200  1.0 3.0
   51    55    62    64   0.21900  1.0 1.0
   51    55    62    64  -0.24900 -1.0 2.0
   51    55    62    64   0.15200  1.0 3.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    59   0.00000  1.0 1.0
   52    51    55    62   0.30150 -1.0 2.0
   55    59    66    68   0.00000  1.0 1.0
   55    59    66    82   0.00000  1.0 1.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    66   0.23100  1.0 3.0
   56    55    62    63   0.20000  1.0 3.0
   56    55    62    64   0.20000  1.0 3.0
   59    55    62    63  -0.05950  1.0 1.0
   59    55    62    63   0.08850 -1.0 2.0
   59    55    62    63   0.11750  1.0 3.0
   59    55    62    64  -0.05950  1.0 1.0
   59    55    62    64   0.08850 -1.0 2.0
   59    55    62    64   0.11750  1.0 3.0
   59    66    68    69   3.62500 -1.0 2.0
   59    66    68    71   3.62500 -1.0 2.0
   59    66    82    77   3.62500 -1.0 2.0
   59    66    82    83   3.62500 -1.0 2.0
   60    59    66    68   0.00000  1.0 1.0
   60    59    66    82   0.00000  1.0 1.0
   61    59    66    68   0.00000  1.0 1.0
   61    59    66    82   0.00000  1.0 1.0
   66    68    71    72   3.62500 -1.0 2.0
   66    68    71    74   3.62500 -1.0 2.0
   68    66    82    77   3.62500 -1.0 2.0
   68    66    82    83   3.62500 -1.0 2.0
   68    71   -74    77   3.62500 -1.0 2.0
   68    71    74    79   3.62500 -1.0 2.0
   69    68    71    72   3.62500 -1.0 2.0
   69    68    71    74   3.62500 -1.0 2.0
   71    74    77    78   3.62500 -1.0 2.0
   71    74    77    82   3.62500 -1.0 2.0
   71    74    79    80   0.84100 -1.0 2.0
   72    71    74    77   3.62500 -1.0 2.0
   72    71    74    79   3.62500 -1.0 2.0
   74    77   -82    66   3.62500 -1.0 2.0
   74    77    82    83   3.62500 -1.0 2.0
   77    74    79    80   0.84100 -1.0 2.0
   78    77    82    66   3.62500 -1.0 2.0
   78    77    82    83   3.62500 -1.0 2.0
   82    66    68    69   3.62500 -1.0 2.0
   82    66   -68    71   3.62500 -1.0 2.0
   79    74    77    78   3.62500 -1.0 2.0
   79    74    77    82   3.62500 -1.0 2.0
   62    55    59    60   0.15000  1.0 3.0
   62    55    59    61   0.15000  1.0 3.0
   62    55    59    66   0.83750  1.0 1.0
   62    55    59    66   0.32200 -1.0 2.0
   62    55    59    66   0.70600  1.0 3.0
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
   37    30    36    38  10.50000 -1.0 2.0
   57    70    53    47   4.00000 -1.0 2.0
   65    58    57    53   1.10000 -1.0 2.0
   70    84    67    65   4.00000 -1.0 2.0
   67    73    70    53   4.00000 -1.0 2.0
   81    76    75    73   1.10000 -1.0 2.0
   81    85    84    67   4.00000 -1.0 2.0
   87    84    85    86   1.00000 -1.0 2.0
   46    51    45    41   1.00000 -1.0 2.0
   45    55    51    52  10.50000 -1.0 2.0
   68    82    66    59   4.00000 -1.0 2.0
   71    69    68    66   1.10000 -1.0 2.0
   74    72    71    68   1.10000 -1.0 2.0
   77    79    74    71   4.00000 -1.0 2.0
   82    78    77    74   1.10000 -1.0 2.0
   77    83    82    66   1.10000 -1.0 2.0
END
