* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    155    248     464
    1     0 S   NP   _N1_     1    28.80816    93.45252   -18.97033
    2     1 S   H    _HN1     2     1.02790    81.64902  -131.41033
    3     1 S   H    _H1_     3     1.02946    85.28064   -22.03121
    4     1 S   H    _H2_     4     1.02838    42.06212    99.88345
    5     1 S   CT   _CA1     5     1.50122   152.68631   105.17910
    6     5 S   HC   _HA1     6     1.09538   105.23474    55.71539
    7     5 S   CO3  _C1_     7     1.53931   112.54408   -64.83382
    8     7 S   O2Z  _O11     8     1.26460   114.97095   -34.45481
    9     7 S   O2Z  _O12     9     1.26194   115.37683   145.21117
   10     5 S   CT   _CB1    10     1.53207   107.50628   174.43106
   11    10 S   HC   HB11    11     1.09812   110.18332   -41.19001
   12    10 S   HC   HB12    12     1.09821   110.18293    75.75489
   13    10 S   CT   _CG1    13     1.52899   112.24579  -161.81535
   14    13 S   HC   HG11    14     1.09570   110.63180   -56.71418
   15    13 S   HC   HG12    15     1.09638   109.73136    62.45609
   16    13 S   C    _CD1    16     1.51699   112.68167  -176.62194
   17    16 S   O    _OE1    17     1.22684   123.44588     3.88675
   18    16 S   N    _N2_    18     1.38652   111.30594  -177.31949
   19    18 S   H    _HN2    19     1.01550   119.07253     6.41136
   20    18 S   CT1  _CA2    20     1.46371   123.54782  -172.53074
   21    20 S   HC   _HA2    21     1.09722   109.26710     2.14393
   22    20 S   C    _C2_    22     1.53342   109.33100  -114.13162
   23    22 S   O    _O2_    23     1.23062   122.18389  -150.58497
   24    20 S   CT   _CB2    32     1.53731   110.63337   123.48288
   25    24 S   HC   HB21    33     1.09361   108.44342    60.99001
   26    24 S   HC   HB22    34     1.09459   110.77054  -179.90309
   27    22 S   N    _N3_    24     1.38302   113.76433    36.78565
   28    27 S   H    _HN3    25     1.01601   119.51052    -3.16694
   29    24 S   S    _SG2    35     1.82813   110.25548   -59.18168
   30    27 S   CT   _CA3    26     1.45279   123.17132   177.20691
   31    30 S   HC   HA31    27     1.09550   107.47857   -65.59665
   32    30 S   HC   HA32    28     1.09561   108.01128    50.82782
   33    29 S   CT   _C16    36     1.85405   103.15141   172.64627
   34    33 S   OM   _O36    37     1.31535   109.31515    83.73419
   35    30 S   CO3  _C3_    29     1.52944   114.13581   172.89171
   36    35 S   O2Z  _O31    30     1.26365   116.09027     0.45671
   37    35 S   O2Z  _O32    31     1.26431   114.40368  -179.48604
   38    33 S   CO4  _C15    38     1.53626   104.43292  -157.70196
   39    38 S   O    _O34    39     1.23241   124.24456   -98.91773
   40    38 S   CM   _C14    40     1.50648   117.06904    77.65215
   41    40 S   CM   _C13    41     1.34643   120.65735    19.36101
   42    40 S   OS1  _O37    65     1.38363   116.23373  -162.97640
   43    41 S   CO4  _C18    42     1.49139   120.82205     1.54142
   44    43 S   O    _O35    43     1.23014   120.81381  -176.51350
   45    41 S   CO4  _C12    47     1.49150   118.09684   179.78150
   46    45 S   O    _O33    48     1.22521   121.95744   -55.91887
   47    42 S   CO1  _C19    66     1.44280   112.40919    95.15651
   48    47 S   HC   _H3_    67     1.09835   109.27632    50.63335
   49    33 S   CT   _C17    44     1.53018   116.10667   -39.40670
   50    49 S   HC   _H14    45     1.10139   111.29674   179.11375
   51    49 S   HC   _H15    46     1.09739   112.32323    60.55135
   52    45 S   CM   _C11    49     1.48933   114.73776   123.13049
   53    52 S   HC   _H13    50     1.08370   117.74646    -0.61357
   54    47 S   CT   _C20    68     1.53538   106.59253   169.11550
   55    54 S   HC   _H4_    69     1.09688   109.80887    52.52909
   56    52 S   CM   _C10    51     1.34104   119.79464   179.64392
   57    56 S   HC   _H12    52     1.08808   119.77008    -0.89918
   58    54 S   CT   _C21    70     1.52985   111.68237   174.56765
   59    58 S   HC   _H5_    71     1.09581   110.24001    74.96870
   60    54 S   OH5  _O42    86     1.42973   110.00528   -64.03181
   61    60 S   HO   _H21    87     0.97289   108.14594   -59.52717
   62    56 S   CA   _C9_    53     1.47451   125.03703   179.95577
   63    58 S   CT   _C22    72     1.53078   111.41011   -48.01272
   64    63 S   HC   _H6_    73     1.09704   109.07434   -71.64144
   65    58 S   OH5  _O41    84     1.43061   109.47695  -169.34431
   66    65 S   HO   _H20    85     0.97223   108.07952    61.57112
   67    62 S   CA   _C4_    54     1.40324   123.13120   -21.94003
   68    67 S   HA   _H8_    55     1.08595   121.12252     0.55143
   69    63 S   CT   _C23    74     1.53211   110.68912    49.51780
   70    69 S   HC   _H7_    75     1.09714   111.12035    63.33679
   71    63 S   OH5  _O40    82     1.42599   109.59757   171.61194
   72    71 S   HO   _H19    83     0.97665   107.98560   -59.66159
   73    67 S   CA   _C5_    56     1.39720   120.84949  -178.67043
   74    73 S   HA   _H9_    57     1.08634   119.78871  -179.94065
   75    47 S   OS1  _O38    76     1.43008   111.75614   -70.78861
   76    69 S   CT   _C24    77     1.52952   111.45997  -175.94735
   77    76 S   HC   _H16    78     1.09494   111.05278    72.86855
   78    76 S   HC   _H17    79     1.09380   111.68634   -49.72499
   79    73 S   CA   _C6_    58     1.39011   119.68745     0.34662
   80    76 S   OH5  _O39    80     1.42361   108.93098  -168.32180
   81    80 S   HO   _H18    81     0.97203   107.30370  -176.24913
   82    79 S   CA   _C7_    59     1.39119   120.60262     0.15577
   83    82 S   HA   _H10    60     1.08604   121.02114   179.73607
   84    79 S   OH   _O43    63     1.36579   118.25270   179.93439
   85    84 S   HO   _H22    64     0.97246   108.57017   179.83449
   86    62 S   CA   _C8_    61     1.40443   118.44938   160.25912
   87    86 S   HA   _H11    62     1.08830   120.55682    -1.41610
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  11   7   2   1   1  10   4  12  12  10   7   4   7   3  13   6
   2   1   1   6   3  12   7   8   3  13   7   4   1   9  12   7
   3   1   8   4   9   6   3   1   7   3   4   4   3   2   6   1
   1   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    49    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    49    50    51    42  
   38    39    40    43    49    50    51  
   36    37  
   37  
    0  
   39    40    41    43    49    50    51    45    42    47  
   40    41    49    42  
   41    43    44    49    45    46    52    42    47    48    54    75  
   43    44    49    50    51    45    46    52    53    56    42    47  
   47    48    54    55    58    69    75    60    43    45  
   44    49    50    51    45    46    52  
   49    50    51    45  
   46    52    53    56    57    62    49  
   52    53    56  
   48    54    55    58    59    63    69    70    75    76    65    60    61  
   54    55    58    69    75    60  
   50    51  
   51  
    0  
   53    56    57    62    67    86  
   56    57    62  
   55    58    59    63    64    69    75    71    65    66    60    61  
   58    59    63    75    65    60    61  
   57    62    67    68    73    82    86    87  
   62    67    86  
   59    63    64    69    70    75    76    71    72    65    66    60    61  
   63    64    69    71    65    66    60  
   61    63    65    75  
    0  
   67    68    73    74    79    82    83    86    87  
   64    69    70    75    76    77    78    80    71    72    65    66  
   69    70    75    76    71    72    65  
   66    69    71  
    0  
   68    73    74    79    82    86    87    84  
   73    74    79    86  
   70    75    76    77    78    80    81    71    72  
   75    76    77    78    80    71  
   72    75    76  
    0  
   74    79    82    83    86    84    85  
   79    82    84  
   76    77    78    80  
   77    78    80    81  
   78    80    81  
   80    81  
   82    83    86    87    84    85  
   81  
    0  
   83    86    87    84    85  
   86    87    84  
   85    86  
    0  
   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  -0.175000   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  -0.012500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.145000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.522
   33    49   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    42   440.000  1.360
   41    43   320.000  1.462
   41    45   320.000  1.462
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   45    46   570.000  1.229
   45    52   320.000  1.462
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    57   340.000  1.080
   56    62   320.000  1.460
   62    67   469.000  1.400
   62    86   469.000  1.400
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    74   367.000  1.080
   73    79   469.000  1.400
   79    82   469.000  1.400
   79    84   450.000  1.364
   82    83   367.000  1.080
   82    86   469.000  1.400
   86    87   367.000  1.080
   84    85   553.000  0.945
   42    47   370.000  1.399
   47    48   360.000  1.097
   47    54   255.000  1.525
   47    75   370.000  1.399
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    60   355.000  1.421
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    65   355.000  1.421
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    71   355.000  1.421
   69    70   340.000  1.090
   69    75   335.000  1.422
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    80   355.000  1.421
   80    81   580.000  0.967
   71    72   580.000  0.967
   65    66   580.000  0.967
   60    61   580.000  0.967
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  110.18000
   29    33    49    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    49    43    63.00000  111.10000
   33    49    50    37.50000  110.70000
   33    49    51    37.50000  110.70000
   38    33    34    90.00000  108.74100
   38    40    41    65.00000  118.96000
   38    40    42    85.00000  116.28000
   40    38    39    80.00000  123.72100
   40    41    43    65.00000  118.96000
   40    41    45    65.00000  118.96000
   40    42    47    90.00000  111.18400
   41    43    44    80.00000  123.72100
   41    43    49    65.00000  118.62400
   41    45    46    80.00000  123.72100
   41    45    52    65.00000  118.65900
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   49    33    34    50.00000  109.50000
   49    33    38    63.00000  111.10000
   49    43    44    80.00000  120.40000
   51    49    50    33.00000  107.80000
   45    41    43    65.00000  115.30000
   45    52    53    40.00000  117.72500
   45    52    56    65.00000  118.96000
   52    45    46    80.00000  123.72100
   52    56    57    35.00000  120.00000
   52    56    62    60.00000  123.20500
   56    52    53    35.00000  120.00000
   56    62    67    60.00000  120.93500
   56    62    86    60.00000  120.93500
   62    56    57    40.00000  117.26300
   62    67    68    35.00000  120.00000
   62    67    73    63.00000  120.00000
   62    86    82    63.00000  120.00000
   62    86    87    35.00000  120.00000
   67    73    74    35.00000  120.00000
   67    73    79    63.00000  120.00000
   73    67    68    35.00000  120.00000
   73    79    82    63.00000  120.00000
   73    79    84    70.00000  120.00000
   79    73    74    35.00000  120.00000
   79    82    83    35.00000  120.00000
   79    82    86    63.00000  120.00000
   79    84    85    35.00000  113.00000
   82    86    87    35.00000  120.00000
   86    62    67    63.00000  120.00000
   86    82    83    35.00000  120.00000
   84    79    82    70.00000  120.00000
   42    40    41    80.00000  120.01400
   42    47    48    60.00000  105.75400
   42    47    54    90.00000  109.70700
   42    47    75   110.00000  113.16000
   47    54    55    45.00000  109.54000
   47    54    58    70.00000  111.10000
   47    54    60    90.00000  109.42000
   47    75    69    90.00000  112.10700
   54    47    48    45.00000  111.65000
   54    58    59    37.50000  110.70000
   54    58    63    58.35000  112.70000
   54    58    65    90.00000  111.45300
   54    60    61    65.00000  108.53500
   58    54    55    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    69    58.35000  112.70000
   58    63    71    90.00000  111.45300
   58    65    66    65.00000  108.53500
   63    58    59    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    75    95.00000  107.88500
   63    69    76    58.35000  112.70000
   63    71    72    65.00000  108.53500
   69    63    64    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    80    90.00000  111.45300
   75    47    48    60.00000  105.75400
   75    47    54    90.00000  109.70700
   75    69    70    55.00000  108.98800
   76    69    70    37.50000  110.70000
   76    69    75    95.00000  107.88500
   76    80    81    65.00000  108.53500
   78    76    77    33.00000  107.80000
   80    76    77    60.00000  109.39000
   80    76    78    60.00000  109.39000
   71    63    64    60.00000  109.39000
   71    63    69    90.00000  111.45300
   65    58    59    60.00000  109.39000
   65    58    63    90.00000  111.45300
   60    54    55    60.00000  109.39000
   60    54    58    90.00000  111.45300
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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    43   0.56750  1.0 1.0
   29    33    49    43  -0.07550 -1.0 2.0
   29    33    49    43   0.20000  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.15000  1.0 3.0
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    42   0.32450 -1.0 2.0
   33    38    40    42   0.17400  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    40   0.65300  1.0 1.0
   34    33    38    40  -0.03850 -1.0 2.0
   34    33    38    40   0.33900  1.0 3.0
   34    33    49    43  -0.09450  1.0 1.0
   34    33    49    43  -1.12950 -1.0 2.0
   34    33    49    43   0.54000  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    51   0.23400  1.0 3.0
   38    33    49    43   0.11950  1.0 1.0
   38    33    49    43   0.20300 -1.0 2.0
   38    33    49    43  -0.70800  1.0 3.0
   38    33    49    50  -0.11250  1.0 3.0
   38    33    49    51  -0.11250  1.0 3.0
   38    40   -41    43   7.00000 -1.0 2.0
   38    40    41    45   7.00000 -1.0 2.0
   38    40    42    47   0.15100 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    42  -0.11900  1.0 1.0
   39    38    40    42   0.76850 -1.0 2.0
   39    38    40    42   0.14100  1.0 3.0
   40    41    43    44   1.00000 -1.0 2.0
   40    41    43    49  -0.33500  1.0 1.0
   40    41    43    49   1.06600 -1.0 2.0
   40    41    43    49  -0.14000  1.0 3.0
   40    41    45    46   1.00000 -1.0 2.0
   40    41    45    52  -1.18350  1.0 1.0
   40    41    45    52   1.45950 -1.0 2.0
   40    42    47    48   0.08050  1.0 3.0
   40    42    47    54  -0.46850  1.0 1.0
   40    42    47    54   0.09300 -1.0 2.0
   40    42    47    54  -0.12850  1.0 3.0
   40    42    47    75  -0.48150  1.0 1.0
   40    42    47    75   0.09250 -1.0 2.0
   40    42    47    75  -0.12850  1.0 3.0
   41    40    42    47  -2.26850  1.0 1.0
   41    40    42    47   3.39050 -1.0 2.0
   41    43   -49    33   0.65300  1.0 1.0
   41    43   -49    33  -0.03850 -1.0 2.0
   41    43   -49    33   0.33900  1.0 3.0
   41    43    49    50   0.00000  1.0 1.0
   41    43    49    51   0.00000  1.0 1.0
   41    45    52    53   0.93700 -1.0 2.0
   41    45    52    56  -1.18350  1.0 1.0
   41    45    52    56   1.45950 -1.0 2.0
   43    41    45    46   2.50000 -1.0 2.0
   43    41    45    52   1.50000 -1.0 2.0
   44    43    49    33   0.30150 -1.0 2.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.00000  1.0 1.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.65300  1.0 1.0
   49    33   -38    40  -0.03850 -1.0 2.0
   49    33   -38    40   0.33900  1.0 3.0
   45    41    43    44   2.50000 -1.0 2.0
   45    41    43    49   1.50000 -1.0 2.0
   45    52    56    57   7.00000 -1.0 2.0
   45    52    56    62   7.00000 -1.0 2.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    56   1.00000 -1.0 2.0
   52    56    62    67   0.15800  1.0 1.0
   52    56    62    67   1.85350 -1.0 2.0
   52    56    62    67  -0.48700  1.0 3.0
   52    56    62    86   0.15800  1.0 1.0
   52    56    62    86   1.85350 -1.0 2.0
   52    56    62    86  -0.48700  1.0 3.0
   53    52    56    57   7.00000 -1.0 2.0
   53    52    56    62   7.00000 -1.0 2.0
   56    62    67    68   3.62500 -1.0 2.0
   56    62    67    73   3.62500 -1.0 2.0
   56    62    86    82   3.62500 -1.0 2.0
   56    62    86    87   3.62500 -1.0 2.0
   57    56    62    67   0.56550  1.0 3.0
   57    56    62    86   0.56550  1.0 3.0
   62    67    73    74   3.62500 -1.0 2.0
   62    67    73    79   3.62500 -1.0 2.0
   67    62    86    82   3.62500 -1.0 2.0
   67    62    86    87   3.62500 -1.0 2.0
   67    73   -79    82   3.62500 -1.0 2.0
   67    73    79    84   3.62500 -1.0 2.0
   68    67    73    74   3.62500 -1.0 2.0
   68    67    73    79   3.62500 -1.0 2.0
   73    79    82    83   3.62500 -1.0 2.0
   73    79    82    86   3.62500 -1.0 2.0
   73    79    84    85   0.84100 -1.0 2.0
   74    73    79    82   3.62500 -1.0 2.0
   74    73    79    84   3.62500 -1.0 2.0
   79    82   -86    62   3.62500 -1.0 2.0
   79    82    86    87   3.62500 -1.0 2.0
   82    79    84    85   0.84100 -1.0 2.0
   83    82    86    62   3.62500 -1.0 2.0
   83    82    86    87   3.62500 -1.0 2.0
   86    62    67    68   3.62500 -1.0 2.0
   86    62   -67    73   3.62500 -1.0 2.0
   84    79    82    83   3.62500 -1.0 2.0
   84    79    82    86   3.62500 -1.0 2.0
   42    40    41    43   7.00000 -1.0 2.0
   42    40    41    45   7.00000 -1.0 2.0
   42    47    54    55   0.23400  1.0 3.0
   42    47    54    58   0.62750  1.0 1.0
   42    47    54    58  -0.30950 -1.0 2.0
   42    47    54    58   0.27300  1.0 3.0
   42    47    54    60   1.51850  1.0 1.0
   42    47    75    69  -0.70400  1.0 1.0
   42    47    75    69  -0.90350 -1.0 2.0
   47    54    58    59   0.15000  1.0 3.0
   47    54    58    63   0.56750  1.0 1.0
   47    54    58    63  -0.07550 -1.0 2.0
   47    54    58    63   0.20000  1.0 3.0
   47    54    58    65  -0.47750  1.0 1.0
   47    54    60    61   0.29150  1.0 1.0
   47    54    60    61  -0.28350 -1.0 2.0
   47    54    60    61   0.43600  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    58   0.15000  1.0 3.0
   48    47    54    60   0.23400  1.0 3.0
   48    47    75    69   0.37050  1.0 3.0
   54    47    75    69   0.06250  1.0 1.0
   54    47    75    69  -0.01100 -1.0 2.0
   54    47    75    69   0.28050  1.0 3.0
   54    58    63    64   0.15000  1.0 3.0
   54    58   -63    69   0.56750  1.0 1.0
   54    58   -63    69  -0.07550 -1.0 2.0
   54    58   -63    69   0.20000  1.0 3.0
   54    58    63    71  -0.47750  1.0 1.0
   54    58    65    66   0.29150  1.0 1.0
   54    58    65    66  -0.28350 -1.0 2.0
   54    58    65    66   0.43600  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    63   0.15000  1.0 3.0
   55    54    58    65   0.23400  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   58    54    60    61   0.29150  1.0 1.0
   58    54    60    61  -0.28350 -1.0 2.0
   58    54    60    61   0.43600  1.0 3.0
   58    63    69    70   0.15000  1.0 3.0
   58    63    69    75   0.62750  1.0 1.0
   58    63    69    75  -0.30950 -1.0 2.0
   58    63    69    75   0.27300  1.0 3.0
   58    63    69    76   0.56750  1.0 1.0
   58    63    69    76  -0.07550 -1.0 2.0
   58    63    69    76   0.20000  1.0 3.0
   58    63    71    72   0.29150  1.0 1.0
   58    63    71    72  -0.28350 -1.0 2.0
   58    63    71    72   0.43600  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    69   0.15000  1.0 3.0
   59    58    63    71   0.23400  1.0 3.0
   59    58    65    66   0.19450  1.0 3.0
   63    58    65    66   0.29150  1.0 1.0
   63    58    65    66  -0.28350 -1.0 2.0
   63    58    65    66   0.43600  1.0 3.0
   63    69   -75    47   0.06250  1.0 1.0
   63    69   -75    47  -0.01100 -1.0 2.0
   63    69   -75    47   0.28050  1.0 3.0
   63    69    76    77   0.15000  1.0 3.0
   63    69    76    78   0.15000  1.0 3.0
   63    69    76    80  -0.47750  1.0 1.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    75   0.23400  1.0 3.0
   64    63    69    76   0.15000  1.0 3.0
   64    63    71    72   0.19450  1.0 3.0
   69    63    71    72   0.29150  1.0 1.0
   69    63    71    72  -0.28350 -1.0 2.0
   69    63    71    72   0.43600  1.0 3.0
   69    76    80    81   0.29150  1.0 1.0
   69    76    80    81  -0.28350 -1.0 2.0
   69    76    80    81   0.43600  1.0 3.0
   70    69    75    47   0.37050  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   70    69    76    80   0.23400  1.0 3.0
   75    47    54    55   0.23400  1.0 3.0
   75    47   -54    58   0.62750  1.0 1.0
   75    47   -54    58  -0.30950 -1.0 2.0
   75    47   -54    58   0.27300  1.0 3.0
   75    47    54    60   1.51850  1.0 1.0
   75    69    76    77   0.23400  1.0 3.0
   75    69    76    78   0.23400  1.0 3.0
   75    69    76    80   1.51850  1.0 1.0
   76    69    75    47   0.06250  1.0 1.0
   76    69    75    47  -0.01100 -1.0 2.0
   76    69    75    47   0.28050  1.0 3.0
   77    76    80    81   0.19450  1.0 3.0
   78    76    80    81   0.19450  1.0 3.0
   71    63    69    70   0.23400  1.0 3.0
   71    63    69    75   1.51850  1.0 1.0
   71    63    69    76  -0.47750  1.0 1.0
   65    58    63    64   0.23400  1.0 3.0
   65    58    63    69  -0.47750  1.0 1.0
   65    58    63    71   3.77950  1.0 1.0
   60    54    58    59   0.23400  1.0 3.0
   60    54    58    63  -0.47750  1.0 1.0
   60    54    58    65   3.77950  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    42    40    41   1.10000 -1.0 2.0
   43    45    41    40   1.10000 -1.0 2.0
   41    49    43    44  10.50000 -1.0 2.0
   41    52    45    46  10.50000 -1.0 2.0
   45    53    52    56  15.00000 -1.0 2.0
   62    57    56    52  15.00000 -1.0 2.0
   67    86    62    56   4.00000 -1.0 2.0
   73    68    67    62   1.10000 -1.0 2.0
   79    74    73    67   1.10000 -1.0 2.0
   82    84    79    73   4.00000 -1.0 2.0
   86    83    82    79   1.10000 -1.0 2.0
   82    87    86    62   1.10000 -1.0 2.0
END
