* LIGAND DATABASE FILE (OPLS2005)
*
001      87    86    154    227     452
    1     0 S   NP   _N1_     1    28.61557    94.63118   -20.61719
    2     1 S   H    _HN1     2     1.02776    84.40199   -82.41277
    3     1 S   H    _H1_     3     1.02939    93.97959    25.61433
    4     1 S   H    _H2_     4     1.02836    32.84581   141.40422
    5     1 S   CT   _CA1     5     1.50152   142.83514   157.57775
    6     5 S   HC   _HA1     6     1.09569   105.29554    50.04915
    7     5 S   CO3  _C1_     7     1.53838   112.17594   -70.17771
    8     7 S   O2Z  _O11     8     1.26347   115.04528   -46.17099
    9     7 S   O2Z  _O12     9     1.26237   114.88021   132.83233
   10     5 S   CT   _CB1    10     1.53010   107.31228   167.88677
   11    10 S   HC   HB11    11     1.09817   109.45402   -50.87722
   12    10 S   HC   HB12    12     1.09689   110.24878    65.59357
   13    10 S   CT   _CG1    13     1.52983   112.98317  -172.33522
   14    13 S   HC   HG11    14     1.09586   110.26481   -58.83950
   15    13 S   HC   HG12    15     1.09593   110.35883    60.49979
   16    13 S   C    _CD1    16     1.51801   111.66243  -179.36081
   17    16 S   O    _OE1    17     1.22743   123.07651   -17.45275
   18    16 S   N    _N2_    18     1.38496   111.95682   163.27575
   19    18 S   H    _HN2    19     1.01566   119.14374     4.05656
   20    18 S   CT1  _CA2    20     1.46246   123.32419  -175.17359
   21    20 S   HC   _HA2    21     1.09729   109.46235    -0.62745
   22    20 S   C    _C2_    22     1.53359   108.70577  -116.65498
   23    22 S   O    _O2_    23     1.23034   122.21105  -143.81384
   24    20 S   CT   _CB2    32     1.53435   111.01080   120.93195
   25    24 S   HC   HB21    33     1.09570   109.49749    58.87559
   26    24 S   HC   HB22    34     1.09482   110.41980   177.63595
   27    22 S   N    _N3_    24     1.38498   113.50118    43.46752
   28    27 S   H    _HN3    25     1.01499   118.99344    -0.18663
   29    24 S   S    _SG2    35     1.82930   111.47979   -62.26233
   30    27 S   CT   _CA3    26     1.45446   123.33563   175.35194
   31    30 S   HC   HA31    27     1.09531   109.12555    26.72252
   32    30 S   HC   HA32    28     1.09494   107.14835   143.68772
   33    29 S   CT   _C19    36     1.85860    99.74675   157.23014
   34    33 S   HC   _H4_    37     1.09981   105.78173   -41.04570
   35    30 S   CO3  _C3_    29     1.52926   113.18991   -96.69255
   36    35 S   O2Z  _O31    30     1.26396   115.42404   -44.63225
   37    35 S   O2Z  _O32    31     1.26362   114.97512   136.32875
   38    33 S   CT   _C20    38     1.55203   109.60865    74.49601
   39    38 S   HC   _H26    39     1.09750   109.32769   -56.62609
   40    38 S   HC   _H27    40     1.09791   108.75736  -170.60859
   41    33 S   CT   _C18    50     1.57551   110.48862  -158.32152
   42    41 S   OM   _O35    51     1.32514   108.18090   171.99442
   43    41 S   HC   _H3_    52     1.09828   105.54160   -58.35224
   44    38 S   CT   _C21    41     1.53533   115.85641    67.08989
   45    44 S   HC   _H28    42     1.09574   110.07630    60.58916
   46    44 S   HC   _H29    43     1.09534   110.48197   -57.41843
   47    41 S   CM   _C17    53     1.52723   111.15114    57.59464
   48    47 S   HC   _H25    54     1.09170   115.77430    37.16936
   49    44 S   CT   _C22    44     1.52777   111.01443  -178.57563
   50    49 S   HC   _H30    45     1.09724   109.38634    58.09228
   51    49 S   HC   _H31    46     1.09718   109.38607   -59.13360
   52    47 S   CM   _C16    55     1.34582   128.21751  -141.29294
   53    52 S   HC   _H24    56     1.08690   116.49797   178.44166
   54    49 S   CO3  _C23    47     1.53215   115.55006   179.36388
   55    54 S   O2Z  _O34    48     1.26565   114.01180   179.48566
   56    54 S   O2Z  _O33    49     1.26123   116.76996    -0.63149
   57    52 S   CM   _C15    57     1.44742   126.19427    -3.82029
   58    57 S   HC   _H23    58     1.08790   116.23480    -2.01139
   59    57 S   CM   _C14    59     1.34334   127.44043   179.89721
   60    59 S   HC   _H22    60     1.08937   116.73097   178.32007
   61    59 S   CM   _C13    61     1.44647   127.57951    -2.22598
   62    61 S   HC   _H21    62     1.08572   118.15172    -4.71464
   63    61 S   CM   _C12    63     1.34274   123.00594   176.70842
   64    63 S   HC   _H20    64     1.08800   119.94100    -1.74159
   65    63 S   CT   _C11    65     1.50236   123.35115   177.88419
   66    65 S   HC   _H18    66     1.09658   111.82180     1.84875
   67    65 S   HC   _H19    67     1.09693   108.39704   117.97422
   68    65 S   CM   _C10    68     1.50306   112.17200  -122.33971
   69    68 S   HC   _H17    69     1.08851   115.81228  -103.85092
   70    68 S   CM   _C9_    70     1.34315   126.60486    75.70413
   71    70 S   HC   _H16    71     1.08829   117.78834  -179.42291
   72    70 S   CT   _C8_    72     1.50122   126.22304    -0.40397
   73    72 S   HC   _H14    73     1.09435   111.15921    17.40474
   74    72 S   HC   _H15    74     1.09666   108.64164   133.73941
   75    72 S   CT   _C7_    75     1.53004   111.00431  -105.40014
   76    75 S   HC   _H12    76     1.09730   109.70440   -65.78608
   77    75 S   HC   _H13    77     1.09715   110.06582    51.48962
   78    75 S   CT   _C6_    78     1.52863   111.24374   172.57754
   79    78 S   HC   _H10    79     1.09666   109.68026    59.53992
   80    78 S   HC   _H11    80     1.09677   109.33212   -57.83806
   81    78 S   CT   _C5_    81     1.52792   111.37178  -178.71458
   82    81 S   HC   _H8_    82     1.09611   109.90098   -59.78148
   83    81 S   HC   _H9_    83     1.09630   109.85844    58.00590
   84    81 S   CT   _C4_    84     1.51981   111.40181   178.98048
   85    84 S   HC   _H5_    85     1.09450   110.92182   -59.87497
   86    84 S   HC   _H6_    86     1.09455   110.92391    60.61529
   87    84 S   HC   _H7_    87     1.09438   110.32986  -179.61743
  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  10   5   4   3
  14   8   2   1   1  13   6   5   8   4   3   8   5   4   6   3
   5   4   3   6   3   2   1   1   6   3   6   3   7   3   7   4
   7   4   3   7   3   8   4   9   5   4   9   5   4   9   5   4
   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    46    49    41    42    43    47    48    52  
   38    39    40    44    41    42    43    47  
   36    37  
   37  
    0  
   39    40    44    45    46    49    50    51    54    41    42    43    47  
   40    44    45    46    49    41  
   44    45    46    49    41  
   42    43    47    48    52    53    57    44  
   43    47    48    52  
   47    48    52  
   45    46    49    50    51    54    55    56  
   46    49    50    51    54  
   49    50    51    54  
   48    52    53    57    58    59  
   52    53    57  
   50    51    54    55    56  
   51    54    55    56  
   54    55    56  
   53    57    58    59    60    61  
   57    58    59  
   55    56  
   56  
    0  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64    65  
   61    62    63  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65    66    67    68    69    70  
   65    66    67    68  
   66    67    68    69    70    71    72  
   67    68    69    70  
   68    69    70  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72    73    74    75    76    77    78  
   72    73    74    75  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83    84  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85    86    87  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   317.000  1.522
   54    55   656.000  1.250
   54    56   656.000  1.250
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    47   317.000  1.510
   47    48   340.000  1.080
   47    52   549.000  1.340
   52    53   340.000  1.080
   52    57   380.000  1.444
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   340.000  1.080
   59    61   380.000  1.444
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   340.000  1.080
   63    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.510
   68    69   340.000  1.080
   68    70   549.000  1.340
   70    71   340.000  1.080
   70    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    47    70.00000  112.02700
   38    33    34    37.50000  110.70000
   38    44    45    37.50000  110.70000
   38    44    46    37.50000  110.70000
   38    44    49    58.35000  112.70000
   40    38    39    33.00000  107.80000
   44    38    39    37.50000  110.70000
   44    38    40    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    54    70.00000  109.69300
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    54    55    70.00000  117.00000
   49    54    56    70.00000  117.00000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   56    54    55    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    47    48    35.00000  117.00000
   41    47    52    70.00000  124.00000
   43    41    42    45.00000  125.66300
   47    41    42    85.00000  110.90400
   47    41    43    35.00000  109.50000
   47    52    53    35.00000  120.00000
   47    52    57    70.00000  123.01800
   52    47    48    35.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    59    70.00000  123.01800
   57    52    53    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    70.00000  123.01800
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    70.00000  123.01800
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    70.00000  110.12100
   65    63    64    35.00000  117.00000
   65    68    69    35.00000  117.00000
   65    68    70    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    70    71    35.00000  120.00000
   68    70    72    70.00000  124.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    70.00000  112.02700
   72    70    71    35.00000  117.00000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.44750  1.0 1.0
   29    33    38    44  -0.17800 -1.0 2.0
   29    33    38    44   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   33    38    44    45   0.15000  1.0 3.0
   33    38    44    46   0.15000  1.0 3.0
   33    38    44    49   0.56750  1.0 1.0
   33    38    44    49  -0.07550 -1.0 2.0
   33    38    44    49   0.20000  1.0 3.0
   33    41    47    48   0.00000  1.0 1.0
   33    41    47    52   0.09850  1.0 1.0
   33    41    47    52   0.15250 -1.0 2.0
   33    41    47    52  -0.50650  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    47   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    47   0.34400  1.0 1.0
   38    33    41    47   0.09450 -1.0 2.0
   38    33    41    47   0.11100  1.0 3.0
   38    44    49    50   0.15000  1.0 3.0
   38    44    49    51   0.15000  1.0 3.0
   38    44    49    54  -1.63150  1.0 1.0
   38    44    49    54  -0.43550 -1.0 2.0
   38    44    49    54   0.24500  1.0 3.0
   39    38    44    45   0.15000  1.0 3.0
   39    38    44    46   0.15000  1.0 3.0
   39    38    44    49   0.15000  1.0 3.0
   40    38    44    45   0.15000  1.0 3.0
   40    38    44    46   0.15000  1.0 3.0
   40    38    44    49   0.15000  1.0 3.0
   44    49    54    55   0.41150 -1.0 2.0
   44    49    54    56   0.41150 -1.0 2.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    54  -0.11250  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    44    49    51   0.15000  1.0 3.0
   46    44    49    54  -0.11250  1.0 3.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   51    49    54    55   0.00000  1.0 1.0
   51    49    54    56   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   0.56750  1.0 1.0
   41    33    38    44  -0.07550 -1.0 2.0
   41    33    38    44   0.20000  1.0 3.0
   41    47    52    53   7.00000 -1.0 2.0
   41    47    52    57   7.00000 -1.0 2.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    52   0.39000  1.0 1.0
   42    41    47    52  -0.05800 -1.0 2.0
   42    41    47    52  -0.55150  1.0 3.0
   43    41    47    48   0.33100  1.0 3.0
   43    41    47    52   0.00000  1.0 1.0
   47    52    57    58  -0.18600  1.0 3.0
   47    52    57    59   0.28850  1.0 1.0
   47    52    57    59   2.61350 -1.0 2.0
   47    52    57    59   0.78400  1.0 3.0
   48    47    52    53   7.00000 -1.0 2.0
   48    47    52    57   7.00000 -1.0 2.0
   52    57    59    60   7.00000 -1.0 2.0
   52    57    59    61   7.00000 -1.0 2.0
   53    52    57    58   0.00000  1.0 1.0
   53    52    57    59  -0.18600  1.0 3.0
   57    59    61    62  -0.18600  1.0 3.0
   57    59    61    63   0.28850  1.0 1.0
   57    59    61    63   2.61350 -1.0 2.0
   57    59    61    63   0.78400  1.0 3.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    61   7.00000 -1.0 2.0
   59    61    63    64   7.00000 -1.0 2.0
   59    61    63    65   7.00000 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63  -0.18600  1.0 3.0
   61    63    65    66   0.00000  1.0 1.0
   61    63    65    67   0.00000  1.0 1.0
   61    63    65    68  -0.28300  1.0 1.0
   61    63    65    68   0.26700 -1.0 2.0
   61    63    65    68  -0.63300  1.0 3.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    65   7.00000 -1.0 2.0
   63    65    68    69   0.00000  1.0 1.0
   63    65    68    70  -0.28300  1.0 1.0
   63    65    68    70   0.26700 -1.0 2.0
   63    65    68    70  -0.63300  1.0 3.0
   64    63    65    66   0.33100  1.0 3.0
   64    63    65    67   0.33100  1.0 3.0
   64    63    65    68   0.00000  1.0 1.0
   65    68    70    71   7.00000 -1.0 2.0
   65    68    70    72   7.00000 -1.0 2.0
   66    65    68    69   0.33100  1.0 3.0
   66    65    68    70   0.00000  1.0 1.0
   67    65    68    69   0.33100  1.0 3.0
   67    65    68    70   0.00000  1.0 1.0
   68    70    72    73   0.00000  1.0 1.0
   68    70    72    74   0.00000  1.0 1.0
   68    70    72    75   0.09850  1.0 1.0
   68    70    72    75   0.15250 -1.0 2.0
   68    70    72    75  -0.50650  1.0 3.0
   69    68    70    71   7.00000 -1.0 2.0
   69    68    70    72   7.00000 -1.0 2.0
   70    72    75    76   0.15000  1.0 3.0
   70    72    75    77   0.15000  1.0 3.0
   70    72    75    78   0.34400  1.0 1.0
   70    72    75    78   0.09450 -1.0 2.0
   70    72    75    78   0.11100  1.0 3.0
   71    70    72    73   0.33100  1.0 3.0
   71    70    72    74   0.33100  1.0 3.0
   71    70    72    75   0.00000  1.0 1.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   0.56750  1.0 1.0
   72    75    78    81  -0.07550 -1.0 2.0
   72    75    78    81   0.20000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    81    82   0.15000  1.0 3.0
   75    78    81    83   0.15000  1.0 3.0
   75    78    81    84   0.56750  1.0 1.0
   75    78    81    84  -0.07550 -1.0 2.0
   75    78    81    84   0.20000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    81    84    85   0.15000  1.0 3.0
   78    81    84    86   0.15000  1.0 3.0
   78    81    84    87   0.15000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87   0.15000  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87   0.15000  1.0 3.0
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
   55    49    54    56  10.50000 -1.0 2.0
   41    48    47    52  15.00000 -1.0 2.0
   57    53    52    47  15.00000 -1.0 2.0
   52    58    57    59  15.00000 -1.0 2.0
   61    60    59    57  15.00000 -1.0 2.0
   59    62    61    63  15.00000 -1.0 2.0
   65    64    63    61  15.00000 -1.0 2.0
   65    69    68    70  15.00000 -1.0 2.0
   72    71    70    68  15.00000 -1.0 2.0
END
