* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    149    209     431
    1     0 S   NP   _N1_     1    28.62091    95.25159   -24.53714
    2     1 S   H    _HN1     2     1.02796   111.18098   -99.87509
    3     1 S   H    _H1_     3     1.02947    78.35251     5.51079
    4     1 S   H    _H2_     4     1.02826    29.66324   170.95604
    5     1 S   CT   _CA1     5     1.50131   129.56901   112.46248
    6     5 S   HC   _HA1     6     1.09574   105.15517    86.03748
    7     5 S   CO3  _C1_     7     1.53771   112.49981   -34.15145
    8     7 S   O2Z  _O11     8     1.26377   115.00346   -41.64641
    9     7 S   O2Z  _O12     9     1.26241   114.94579   137.37641
   10     5 S   CT   _CB1    10     1.53058   107.40196  -155.99549
   11    10 S   HC   HB11    11     1.09841   109.31377   -49.36955
   12    10 S   HC   HB12    12     1.09811   110.47182    67.22174
   13    10 S   CT   _CG1    13     1.53016   112.65351  -170.31525
   14    13 S   HC   HG11    14     1.09571   110.71876   -67.51241
   15    13 S   HC   HG12    15     1.09670   109.71072    51.74016
   16    13 S   C    _CD1    16     1.51803   112.02095   172.20306
   17    16 S   O    _OE1    17     1.22755   123.19353    11.60434
   18    16 S   N    _N2_    18     1.38609   111.82292  -168.30243
   19    18 S   H    _HN2    19     1.01562   118.98459     1.09379
   20    18 S   CT1  _CA2    20     1.46315   123.49468   176.88901
   21    20 S   HC   _HA2    21     1.09734   109.40419     9.01118
   22    20 S   C    _C2_    22     1.53612   108.03279  -106.49957
   23    22 S   O    _O2_    23     1.23046   122.49135  -142.45744
   24    20 S   CT   _CB2    32     1.53437   111.56890   131.16115
   25    24 S   HC   HB21    33     1.09451   109.60290    58.08455
   26    24 S   HC   HB22    34     1.09478   109.78803   176.81224
   27    22 S   N    _N3_    24     1.38372   113.70663    44.49928
   28    27 S   H    _HN3    25     1.01542   119.64967    -2.06203
   29    24 S   S    _SG2    35     1.83149   110.98086   -63.79646
   30    27 S   CT   _CA3    26     1.45286   123.22895   177.76454
   31    30 S   HC   HA31    27     1.09545   107.41657   -67.49033
   32    30 S   HC   HA32    28     1.09557   108.11644    48.98585
   33    29 S   CT   _C5_    36     1.86109   102.04604   166.20230
   34    33 S   OM   _O33    37     1.31670   107.43465   169.62047
   35    30 S   CO3  _C3_    29     1.52976   114.04754   171.07205
   36    35 S   O2Z  _O31    30     1.26383   116.09586    -0.49850
   37    35 S   O2Z  _O32    31     1.26428   114.42954   179.57250
   38    33 S   CT   _C4_    38     1.53476   110.43438    50.88853
   39    38 S   HC   _H4_    39     1.09585   111.99868   -69.41672
   40    38 S   HC   _H5_    40     1.09904   111.95238    51.11245
   41    38 S   HC   _H6_    41     1.09793   112.76225   170.24946
   42    33 S   S    _S1_    42     1.85381   108.15393   -71.39807
   43    42 S   CT   _C6_    43     1.83160   102.15375  -176.64830
   44    43 S   HC   _H7_    44     1.09396   109.00667    64.83879
   45    43 S   HC   _H8_    45     1.09338   109.94753   -54.75403
   46    43 S   CT   _C7_    46     1.52846   110.15747  -175.62839
   47    46 S   HC   _H9_    47     1.09548   111.69695   -52.59265
   48    46 S   HC   _H10    48     1.09555   109.19208  -171.53125
   49    46 S   N    _N4_    49     1.45355   111.73565    68.18935
   50    49 S   H    _H11    50     1.01541   117.38019   -80.56227
   51    49 S   C    _C8_    51     1.38533   123.02100    95.01488
   52    51 S   O    _O34    52     1.22772   124.91510     4.71642
   53    51 S   CT   _C9_    53     1.51847   111.68071  -175.24993
   54    53 S   HC   _H12    54     1.09639   107.62495   -64.17488
   55    53 S   HC   _H13    55     1.09655   108.42979    52.22874
   56    53 S   CT   _C10    56     1.52432   113.21388   175.09979
   57    56 S   HC   _H14    57     1.09549   109.58194   173.99982
   58    56 S   HC   _H15    58     1.09506   111.10109    54.50305
   59    56 S   N    _N5_    59     1.45249   112.46249   -65.64985
   60    59 S   H    _H16    60     1.01520   117.42355   100.03479
   61    59 S   C    _C11    61     1.38445   122.93497   -79.10929
   62    61 S   O    _O35    62     1.22963   124.33652    -0.48335
   63    61 S   CT   _C12    63     1.53001   113.22668  -179.34240
   64    63 S   HC   _H3_    64     1.09701   108.24445    35.71211
   65    63 S   CT   _C13    65     1.55926   114.62098   -86.76359
   66    63 S   OH   _O40    83     1.42609   106.69866   149.31222
   67    66 S   HO   _H26    84     0.97491   107.35814    68.96550
   68    65 S   CT   _C14    66     1.54679   108.57056  -174.51892
   69    68 S   HC   _H17    67     1.09517   112.10547    62.37548
   70    68 S   HC   _H18    68     1.09596   110.91070   -58.08124
   71    68 S   HC   _H19    69     1.09617   111.10311  -177.64258
   72    65 S   CT   _C15    70     1.54084   111.00599    67.21875
   73    72 S   HC   _H20    71     1.09380   111.64940   -68.36115
   74    72 S   HC   _H21    72     1.09636   111.09969   172.49878
   75    72 S   HC   _H22    73     1.09545   111.27808    52.69607
   76    65 S   CT   _C16    74     1.54707   112.76508   -54.11077
   77    76 S   HC   _H23    75     1.09568   109.80196  -176.48776
   78    76 S   HC   _H24    76     1.09538   110.68501    64.80357
   79    76 S   OS   _O36    77     1.42128   111.22822   -56.05834
   80    79 S   P2   _P1_    78     1.63288   118.94508  -172.90289
   81    80 S   O2Z  _O39    79     1.51127   108.49441  -177.04124
   82    80 S   O2Z  _O37    80     1.51164   109.45042    49.10244
   83    80 S   OS   _O38    81     1.62989    99.42451   -64.21058
   84    83 S   HO   _H25    82     0.98190   116.08530   174.43113
  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   8   5   4   3
  10   6   2   1   1   5   3   2   1   7   8   5   4   7   4   3
   7   3   8   4   8   5   4   7   4   3   7   3   9   4  16   6
  15   4   1  11   4   3   2   7   3   2   1   7   3   2   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    47    48    49  
   44    45    46    47    48    49    50    51  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    52    53  
   48    49    50    51  
   49    50    51  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53    54    55    56    57    58    59  
   53    54    55    56  
   54    55    56    57    58    59    60    61  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    62    63  
   58    59    60    61  
   59    60    61  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63    64    65    68    72    76    66    67  
   63    64    65    66  
   64    65    68    69    70    71    72    73    74    75    76    77    78    79    66    67  
   65    68    72    76    66    67  
   68    69    70    71    72    73    74    75    76    77    78    79    80    66    67  
   67    68    72    76  
    0  
   69    70    71    72    73    74    75    76    77    78    79  
   70    71    72    76  
   71    72    76  
   72    76  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.175000   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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   80   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   81   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   82   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   83   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.380000   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    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   570.000  1.307
   33    38   268.000  1.529
   33    42   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   337.000  1.449
   49    50   434.000  1.010
   49    51   490.000  1.335
   51    52   570.000  1.229
   51    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   337.000  1.449
   59    60   434.000  1.010
   59    61   490.000  1.335
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    66   320.000  1.410
   65    68   268.000  1.529
   65    72   268.000  1.529
   65    76   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   320.000  1.410
   79    80   230.000  1.697
   80    81   525.000  1.480
   80    82   525.000  1.480
   80    83   230.000  1.697
   83    84   553.000  0.945
   66    67   553.000  0.945
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    62.00000   98.90000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    85.00000  114.68000
   42    33    38    75.00000  111.63000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    75.00000  111.63000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    70.00000  110.72300
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    49    50    38.00000  118.40000
   46    49    51    50.00000  121.90000
   48    46    47    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    35.00000  109.50000
   49    51    52    80.00000  122.90000
   49    51    53    70.00000  116.60000
   51    49    50    35.00000  119.80000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    63.00000  111.10000
   53    51    52    80.00000  120.40000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    70.00000  110.72300
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    38.00000  118.40000
   56    59    61    50.00000  121.90000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    80.00000  122.90000
   59    61    63    70.00000  116.60000
   61    59    60    35.00000  119.80000
   61    63    64    35.00000  109.50000
   61    63    65    63.00000  111.10000
   61    63    66    95.00000  109.52300
   63    61    62    80.00000  120.40000
   63    65    68    58.35000  112.70000
   63    65    72    58.35000  112.70000
   63    65    76    58.35000  112.70000
   63    66    67    55.00000  108.50000
   65    63    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    37.50000  110.70000
   65    76    77    37.50000  110.70000
   65    76    78    37.50000  110.70000
   65    76    79    50.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    65    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    65    68    58.35000  112.70000
   76    65    72    58.35000  112.70000
   76    79    80   100.00000  120.50000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    80    81   100.00000  108.23000
   79    80    82   100.00000  108.23000
   79    80    83    45.00000  102.60000
   80    83    84    45.00000  108.50000
   82    80    81   140.00000  119.90000
   83    80    81   100.00000  108.23000
   83    80    82   100.00000  108.23000
   66    63    64    35.00000  109.50000
   66    63    65    50.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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
   24    29    33    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   0.48050  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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.08500  1.0 1.0
   29    33    42    43  -0.53150 -1.0 2.0
   29    33    42    43   0.48050  1.0 3.0
   33    42    43    44   0.32350  1.0 3.0
   33    42    43    45   0.32350  1.0 3.0
   33    42    43    46   0.01700  1.0 1.0
   33    42    43    46  -0.23550 -1.0 2.0
   33    42    43    46   0.21350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43   0.13850  1.0 1.0
   34    33    42    43  -1.34450 -1.0 2.0
   34    33    42    43   0.57400  1.0 3.0
   38    33    42    43   0.01700  1.0 1.0
   38    33    42    43  -0.23550 -1.0 2.0
   38    33    42    43   0.21350  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    43    46    47   0.15000  1.0 3.0
   42    43    46    48   0.15000  1.0 3.0
   42    43    46    49   0.56750  1.0 1.0
   42    43    46    49  -0.07550 -1.0 2.0
   42    43    46    49   0.20000  1.0 3.0
   43    46    49    50   0.00000  1.0 1.0
   43    46    49    51  -0.43950  1.0 1.0
   43    46    49    51  -0.08100 -1.0 2.0
   43    46    49    51   0.03350  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   46    49    51    52   3.04450 -1.0 2.0
   46    49    51    53   1.49850  1.0 1.0
   46    49    51    53   1.53950 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   48    46    49    50   0.00000  1.0 1.0
   48    46    49    51   0.00000  1.0 1.0
   49    51    53    54   0.00000  1.0 1.0
   49    51    53    55   0.00000  1.0 1.0
   49    51    53    56   1.39750  1.0 1.0
   49    51    53    56  -0.07950 -1.0 2.0
   49    51    53    56  -0.18750  1.0 3.0
   50    49    51    52   2.45000 -1.0 2.0
   50    49    51    53   2.45000 -1.0 2.0
   51    53    56    57  -0.11250  1.0 3.0
   51    53    56    58  -0.11250  1.0 3.0
   51    53    56    59  -2.10200  1.0 1.0
   51    53    56    59  -0.31600 -1.0 2.0
   51    53    56    59   0.13050  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.30150 -1.0 2.0
   53    56    59    60   0.00000  1.0 1.0
   53    56    59    61  -0.43950  1.0 1.0
   53    56    59    61  -0.08100 -1.0 2.0
   53    56    59    61   0.03350  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    61    62   3.04450 -1.0 2.0
   56    59    61    63   1.49850  1.0 1.0
   56    59    61    63   1.53950 -1.0 2.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   58    56    59    60   0.00000  1.0 1.0
   58    56    59    61   0.00000  1.0 1.0
   59    61    63    64   0.00000  1.0 1.0
   59    61    63    65   1.39750  1.0 1.0
   59    61    63    65  -0.07950 -1.0 2.0
   59    61    63    65  -0.18750  1.0 3.0
   59    61    63    66   0.00000  1.0 1.0
   60    59    61    62   2.45000 -1.0 2.0
   60    59    61    63   2.45000 -1.0 2.0
   61    63    65    68  -0.95700  1.0 1.0
   61    63    65    68  -0.18200 -1.0 2.0
   61    63    65    68   0.29450  1.0 3.0
   61    63    65    72  -0.95700  1.0 1.0
   61    63    65    72  -0.18200 -1.0 2.0
   61    63    65    72   0.29450  1.0 3.0
   61    63    65    76  -0.95700  1.0 1.0
   61    63    65    76  -0.18200 -1.0 2.0
   61    63    65    76   0.29450  1.0 3.0
   61    63    66    67   0.91850  1.0 1.0
   61    63    66    67   0.57950  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.30150 -1.0 2.0
   62    61    63    66   0.30150 -1.0 2.0
   63    65    68    69   0.15000  1.0 3.0
   63    65    68    70   0.15000  1.0 3.0
   63    65    68    71   0.15000  1.0 3.0
   63    65    72    73   0.15000  1.0 3.0
   63    65    72    74   0.15000  1.0 3.0
   63    65    72    75   0.15000  1.0 3.0
   63    65    76    77   0.15000  1.0 3.0
   63    65    76    78   0.15000  1.0 3.0
   63    65    76    79   0.62750  1.0 1.0
   63    65    76    79  -0.30950 -1.0 2.0
   63    65    76    79   0.27300  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   64    63    65    72   0.15000  1.0 3.0
   64    63    65    76   0.15000  1.0 3.0
   64    63    66    67   0.19450  1.0 3.0
   65    63    66    67  -0.11600  1.0 1.0
   65    63    66    67  -0.09450 -1.0 2.0
   65    63    66    67   0.21250  1.0 3.0
   65    76    79    80  -2.65550  1.0 1.0
   65    76    79    80  -0.22350 -1.0 2.0
   65    76    79    80   0.24150  1.0 3.0
   68    65    72    73   0.15000  1.0 3.0
   68    65    72    74   0.15000  1.0 3.0
   68    65    72    75   0.15000  1.0 3.0
   68    65    76    77   0.15000  1.0 3.0
   68    65    76    78   0.15000  1.0 3.0
   68    65    76    79   0.62750  1.0 1.0
   68    65    76    79  -0.30950 -1.0 2.0
   68    65    76    79   0.27300  1.0 3.0
   72    65    68    69   0.15000  1.0 3.0
   72    65    68    70   0.15000  1.0 3.0
   72    65    68    71   0.15000  1.0 3.0
   72    65    76    77   0.15000  1.0 3.0
   72    65    76    78   0.15000  1.0 3.0
   72    65    76    79   0.62750  1.0 1.0
   72    65    76    79  -0.30950 -1.0 2.0
   72    65    76    79   0.27300  1.0 3.0
   76    65    68    69   0.15000  1.0 3.0
   76    65    68    70   0.15000  1.0 3.0
   76    65    68    71   0.15000  1.0 3.0
   76    65    72    73   0.15000  1.0 3.0
   76    65    72    74   0.15000  1.0 3.0
   76    65    72    75   0.15000  1.0 3.0
   76    79    80    81   0.00000  1.0 1.0
   76    79    80    82   0.00000  1.0 1.0
   76    79    80    83   0.05050  1.0 1.0
   76    79    80    83  -1.30700 -1.0 2.0
   76    79    80    83   0.91550  1.0 3.0
   77    76    79    80   0.03000  1.0 3.0
   78    76    79    80   0.03000  1.0 3.0
   79    80    83    84   0.00000  1.0 1.0
   81    80    83    84   0.00000  1.0 1.0
   82    80    83    84   0.00000  1.0 1.0
   66    63    65    68   0.86500  1.0 1.0
   66    63    65    68  -0.17500 -1.0 2.0
   66    63    65    68   0.20800  1.0 3.0
   66    63    65    72   0.86500  1.0 1.0
   66    63    65    72  -0.17500 -1.0 2.0
   66    63    65    72   0.20800  1.0 3.0
   66    63    65    76   0.86500  1.0 1.0
   66    63    65    76  -0.17500 -1.0 2.0
   66    63    65    76   0.20800  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
   36    30    35    37  10.50000 -1.0 2.0
   50    51    49    46   1.00000 -1.0 2.0
   49    53    51    52  10.50000 -1.0 2.0
   60    61    59    56   1.00000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
END
