* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    156    236     462
    1     0 S   NP   _N1_     1    28.49776    96.98317   -24.65226
    2     1 S   H    _HN1     2     1.02956    74.76228   -10.74827
    3     1 S   H    _H1_     3     1.02835    32.47514   162.82843
    4     1 S   H    _H2_     4     1.02776   115.69075  -114.10606
    5     1 S   CT   _CA1     5     1.50149   126.85140    93.54071
    6     5 S   HC   _HA1     6     1.09577   105.17919    91.64913
    7     5 S   CO3  _C1_     7     1.53768   112.36668   -28.46765
    8     7 S   O2Z  _O11     8     1.26367   114.98276   -43.14114
    9     7 S   O2Z  _O12     9     1.26234   114.92696   135.82485
   10     5 S   CT   _CB1    10     1.53085   107.40663  -150.47760
   11    10 S   HC   HB11    11     1.09830   109.25309   -50.40477
   12    10 S   HC   HB12    12     1.09814   110.45755    66.12964
   13    10 S   CT   _CG1    13     1.53034   112.71833  -171.47046
   14    13 S   HC   HG11    14     1.09590   110.52404   -66.05525
   15    13 S   HC   HG12    15     1.09662   109.87745    53.15777
   16    13 S   C    _CD1    16     1.51856   112.26092   173.47211
   17    16 S   O    _OE1    17     1.22768   123.27237     2.83938
   18    16 S   N    _N2_    18     1.38583   111.77931  -177.05297
   19    18 S   H    _HN2    19     1.01550   119.08435     3.59989
   20    18 S   CT1  _CA2    20     1.45826   122.74195   177.26641
   21    20 S   HC   _HA2    21     1.09678   108.80896    26.27800
   22    20 S   C    _C2_    22     1.53069   106.84895   -90.88136
   23    22 S   O    _O2_    23     1.23007   122.93043   -25.52205
   24    20 S   CT   _CB2    32     1.53145   112.48209   149.59685
   25    24 S   HC   HB21    33     1.09619   110.20372    57.28267
   26    24 S   HC   HB22    34     1.09472   109.99146   175.79495
   27    22 S   N    _N3_    24     1.38584   112.71359   157.41858
   28    27 S   H    _HN3    25     1.01735   119.55828    -5.38139
   29    24 S   S    _SG2    35     1.82555   111.89137   -63.30432
   30    27 S   CT   _CA3    26     1.45416   122.30391   178.49585
   31    30 S   HC   HA31    27     1.09578   108.84518   -39.05793
   32    30 S   HC   HA32    28     1.09566   107.42127    76.93879
   33    29 S   CT   _C10    36     1.82068    98.86380  -175.62933
   34    33 S   HC   _H3_    37     1.09654   103.30253   -47.65507
   35    30 S   CO3  _C3_    29     1.52557   112.66546  -162.15859
   36    35 S   O2Z  _O31    30     1.26335   115.13793   -74.33882
   37    35 S   O2Z  _O32    31     1.26332   115.24029   105.11365
   38    33 S   CM   _C4_    38     1.53832   119.36629  -166.20692
   39    38 S   CT   _C9_    39     1.55688   109.81406   175.61617
   40    39 S   HC   _H33    40     1.09684   110.59550   166.77614
   41    38 S   CMA  _C8_    80     1.37055   129.46414    -4.33621
   42    41 S   OM   _O18    81     1.26688   126.89481    -2.39163
   43    39 S   CT   _C11    41     1.55669   110.92322    49.33680
   44    43 S   HC   _H35    42     1.09799   109.72726  -166.08129
   45    39 S   CT   _C19    74     1.54312   109.83789   -75.84005
   46    45 S   HC   _H45    75     1.09700   110.13777   -42.70741
   47    45 S   HC   _H46    76     1.09439   112.01426    76.95394
   48    41 S   OS   _O26    82     1.42105   111.69362   179.20672
   49    43 S   CO   _C16    43     1.54330   111.65966   -46.94906
   50    49 S   HC   _H40    44     1.09750   109.58416   -66.42585
   51    43 S   CM   _C6_    69     1.52085   109.53262    76.06891
   52    51 S   HC   _H31    70     1.08786   117.65495   -64.85421
   53    45 S   CO4  _C7_    77     1.51331   113.84451  -161.46032
   54    53 S   O    _O19    78     1.22588   125.17775    -0.62432
   55    53 S   HC   _H32    79     1.10390   114.65201   179.26458
   56    48 S   CT   _C18    83     1.42768   113.67508  -133.72467
   57    56 S   HC   _H42    84     1.09402   107.74760   170.27530
   58    56 S   HC   _H43    85     1.09544   111.10769    52.08225
   59    56 S   HC   _H44    86     1.09474   111.04889   -71.76650
   60    33 S   OS   _O20    45     1.43247   109.08619    68.04528
   61    49 S   OS1  _O27    46     1.43365   108.77810   177.43036
   62    51 S   CM   _C5_    71     1.33841   123.93088   115.22563
   63    62 S   HC   _H29    72     1.08452   120.42101   179.91844
   64    62 S   HC   _H30    73     1.08433   121.58106    -0.07402
   65    61 S   CO1  _C17    47     1.43092   113.39488  -176.55997
   66    65 S   HC   _H41    48     1.09860   109.20857   -38.36697
   67    65 S   CT   _C14    49     1.53445   108.35328  -157.18344
   68    67 S   HC   _H38    50     1.09562   110.69943    59.73567
   69    67 S   CT   _C12    51     1.53157   109.45862  -177.88252
   70    69 S   HC   _H36    52     1.09730   108.32144   -67.07162
   71    67 S   OH5  _O24    67     1.43099   109.43723   -56.73516
   72    71 S   HO   _H51    68     0.97329   106.89327  -162.45345
   73    69 S   CT   _C13    53     1.53458   111.87393    52.74826
   74    73 S   HC   _H37    54     1.09575   109.49395  -173.71291
   75    69 S   OH5  _O22    65     1.42492   109.48913   176.42648
   76    75 S   HO   _H49    66     0.97274   107.37218  -176.89146
   77    73 S   CT   _C15    55     1.53805   109.44664   -51.91009
   78    77 S   HC   _H39    56     1.09655   110.00865   -63.45806
   79    73 S   OH5  _O23    63     1.42852   109.47748    69.77339
   80    79 S   HO   _H50    64     0.97177   107.89350   168.71285
   81    65 S   OS1  _O21    57     1.43270   111.08566    82.05687
   82    77 S   CT   _C20    58     1.52818   112.55331   174.58478
   83    82 S   HC   _H47    59     1.09359   111.29382    46.28364
   84    82 S   HC   _H48    60     1.09488   111.34777   -76.28843
   85    82 S   OH5  _O25    61     1.42528   109.08720   165.02945
   86    85 S   HO   _H52    62     0.97257   106.96785   175.85395
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  13   5   2   1   1  15  19   9   9   2  15   8   7   4   3   4
  10   4   6   3   2   1   1   3   2   1   1   2   8   2   1   1
  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3   1
   4   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    60    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    49    50    60    61    45    41    42    48  
   38    39    49    60    41  
   36    37  
   37  
    0  
   39    40    43    44    49    60    51    45    46    47    53    41    42    48    56  
   40    43    44    49    50    60    61    51    52    62    45    46    47    53    54    55    41    42    48  
   43    44    49    51    45    46    47    53    41  
   42    48    56    57    58    59    43    45    60  
   48    56  
   44    49    50    60    61    65    51    52    62    63    64    45    46    47    53  
   49    50    60    61    51    52    62    45  
   46    47    53    54    55    49    51  
   47    53    54    55  
   53    54    55  
   56    57    58    59  
   50    60    61    65    66    67    81    51    52    62  
   60    61    65    51  
   52    62    63    64    60    61  
   62    63    64  
   54    55  
   55  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    65  
   65    66    67    68    69    77    81    71  
   63    64  
   64  
    0  
   66    67    68    69    70    73    77    78    81    82    75    71    72  
   67    68    69    77    81    71  
   68    69    70    73    74    77    81    79    75    76    71    72  
   69    70    73    81    75    71    72  
   70    73    74    77    78    81    82    79    80    75    76    71    72  
   73    74    77    79    75    76    71  
   72    73    75    81  
    0  
   74    77    78    81    82    83    84    85    79    80    75    76  
   77    78    81    82    79    80    75  
   76    77    79  
    0  
   78    81    82    83    84    85    86    79    80  
   81    82    83    84    85    79  
   80    81    82  
    0  
   82    83    84    85  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   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   340.000  1.090
   33    38   317.000  1.510
   33    60   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    45   268.000  1.529
   43    44   340.000  1.090
   43    49   250.000  1.527
   43    51   317.000  1.510
   49    50   340.000  1.090
   49    60   320.000  1.380
   49    61   320.000  1.380
   61    65   370.000  1.399
   65    66   360.000  1.097
   65    67   255.000  1.525
   65    81   370.000  1.399
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   355.000  1.421
   77    78   340.000  1.090
   77    81   335.000  1.422
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   355.000  1.421
   85    86   580.000  0.967
   79    80   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   51    52   340.000  1.080
   51    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    53   317.000  1.522
   53    54   570.000  1.229
   53    55   340.000  1.090
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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  112.20000
   29    33    60    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    60    49    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    45    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    49    75.00000  109.43000
   39    43    51    70.00000  112.02700
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    53    63.00000  111.10000
   43    39    40    37.50000  110.70000
   43    49    50    45.00000  112.01100
   43    49    60    90.00000  108.56700
   43    49    61    90.00000  108.56700
   43    51    52    35.00000  117.00000
   43    51    62    70.00000  124.00000
   49    43    44    45.00000  108.72000
   49    61    65    90.00000  112.10700
   60    33    34    35.00000  109.50000
   60    33    38    85.00000  110.90400
   60    49    50    35.00000  109.50000
   61    49    50    35.00000  109.50000
   61    49    60    92.60000  111.55000
   61    65    66    60.00000  105.75400
   61    65    67    90.00000  109.70700
   61    65    81   110.00000  113.16000
   65    67    68    45.00000  109.54000
   65    67    69    70.00000  111.10000
   65    67    71    90.00000  109.42000
   65    81    77    90.00000  112.10700
   67    65    66    45.00000  111.65000
   67    69    70    37.50000  110.70000
   67    69    73    58.35000  112.70000
   67    69    75    90.00000  111.45300
   67    71    72    65.00000  108.53500
   69    67    68    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    58.35000  112.70000
   69    73    79    90.00000  111.45300
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    95.00000  107.88500
   73    77    82    58.35000  112.70000
   73    79    80    65.00000  108.53500
   77    73    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    90.00000  111.45300
   81    65    66    60.00000  105.75400
   81    65    67    90.00000  109.70700
   81    77    78    55.00000  108.98800
   82    77    78    37.50000  110.70000
   82    77    81    95.00000  107.88500
   82    85    86    65.00000  108.53500
   84    82    83    33.00000  107.80000
   85    82    83    60.00000  109.39000
   85    82    84    60.00000  109.39000
   79    73    74    60.00000  109.39000
   79    73    77    90.00000  111.45300
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    67    68    60.00000  109.39000
   71    67    69    90.00000  111.45300
   51    43    44    35.00000  109.50000
   51    43    49    70.00000  112.02700
   51    62    63    35.00000  120.00000
   51    62    64    35.00000  120.00000
   62    51    52    35.00000  120.00000
   64    62    63    35.00000  117.00000
   45    39    40    37.50000  110.70000
   45    39    43    58.35000  112.70000
   45    53    54    80.00000  120.40000
   45    53    55    35.00000  115.00000
   47    45    46    33.00000  107.80000
   53    45    46    35.00000  109.50000
   53    45    47    35.00000  109.50000
   55    53    54    35.00000  123.00000
   41    38    39    70.00000  124.00000
   41    48    56    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    56    57    35.00000  109.50000
   48    56    58    35.00000  109.50000
   48    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    60   0.13850  1.0 1.0
   24    29    33    60  -1.34450 -1.0 2.0
   24    29    33    60   0.57400  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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    60    49   0.14700  1.0 1.0
   29    33    60    49  -1.16150 -1.0 2.0
   29    33    60    49   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    60    49   0.37050  1.0 3.0
   38    33    60    49  -0.77900  1.0 1.0
   38    33    60    49  -0.36900 -1.0 2.0
   38    33    60    49   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39   -43    49   0.34400  1.0 1.0
   38    39   -43    49   0.09450 -1.0 2.0
   38    39   -43    49   0.11100  1.0 3.0
   38    39    43    51   0.31000  1.0 1.0
   38    39    43    51   0.14700 -1.0 2.0
   38    39    43    51   0.07550  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    53  -0.98800  1.0 1.0
   38    39    45    53   0.48800 -1.0 2.0
   38    39    45    53   0.76800  1.0 3.0
   38    41    48    56  -2.26850  1.0 1.0
   38    41    48    56   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    60   0.62750  1.0 1.0
   39    43    49    60  -0.30950 -1.0 2.0
   39    43    49    60   0.27300  1.0 3.0
   39    43    49    61   0.62750  1.0 1.0
   39    43    49    61  -0.30950 -1.0 2.0
   39    43    49    61   0.27300  1.0 3.0
   39    43    51    52   0.00000  1.0 1.0
   39    43    51    62   0.09850  1.0 1.0
   39    43    51    62   0.15250 -1.0 2.0
   39    43    51    62  -0.50650  1.0 3.0
   39    45    53    54   0.30150 -1.0 2.0
   39    45    53    55   0.74550  1.0 1.0
   39    45    53    55  -0.00500 -1.0 2.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    53  -0.11250  1.0 3.0
   43    39    45    46   0.15000  1.0 3.0
   43    39    45    47   0.15000  1.0 3.0
   43    39    45    53  -0.95700  1.0 1.0
   43    39    45    53  -0.18200 -1.0 2.0
   43    39    45    53   0.29450  1.0 3.0
   43    49   -60    33   0.06250  1.0 1.0
   43    49   -60    33  -0.01100 -1.0 2.0
   43    49   -60    33   0.28050  1.0 3.0
   43    49    61    65   0.06250  1.0 1.0
   43    49    61    65  -0.01100 -1.0 2.0
   43    49    61    65   0.28050  1.0 3.0
   43    51    62    63   7.00000 -1.0 2.0
   43    51    62    64   7.00000 -1.0 2.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    60   0.23400  1.0 3.0
   44    43    49    61   0.23400  1.0 3.0
   44    43    51    52   0.33100  1.0 3.0
   44    43    51    62   0.00000  1.0 1.0
   49    43    51    52   0.00000  1.0 1.0
   49    43    51    62   0.09850  1.0 1.0
   49    43    51    62   0.15250 -1.0 2.0
   49    43    51    62  -0.50650  1.0 3.0
   49    61    65    66   0.37050  1.0 3.0
   49    61    65    67   0.06250  1.0 1.0
   49    61    65    67  -0.01100 -1.0 2.0
   49    61    65    67   0.28050  1.0 3.0
   49    61    65    81  -0.12700  1.0 1.0
   49    61    65    81  -1.16200 -1.0 2.0
   49    61    65    81   0.58800  1.0 3.0
   50    49    60    33   0.37050  1.0 3.0
   50    49    61    65   0.37050  1.0 3.0
   60    33   -38    39   0.09700  1.0 1.0
   60    33   -38    39   0.15600 -1.0 2.0
   60    33   -38    39  -0.50800  1.0 3.0
   60    33    38    41   0.39000  1.0 1.0
   60    33    38    41  -0.05800 -1.0 2.0
   60    33    38    41  -0.55150  1.0 3.0
   60    49    61    65  -0.53350  1.0 1.0
   60    49    61    65  -0.78350 -1.0 2.0
   60    49    61    65   0.33750  1.0 3.0
   61    49    60    33  -0.81800  1.0 1.0
   61    65    67    68   0.23400  1.0 3.0
   61    65    67    69   0.62750  1.0 1.0
   61    65    67    69  -0.30950 -1.0 2.0
   61    65    67    69   0.27300  1.0 3.0
   61    65    67    71   1.51850  1.0 1.0
   61    65    81    77  -0.70400  1.0 1.0
   61    65    81    77  -0.90350 -1.0 2.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    73   0.56750  1.0 1.0
   65    67    69    73  -0.07550 -1.0 2.0
   65    67    69    73   0.20000  1.0 3.0
   65    67    69    75  -0.47750  1.0 1.0
   65    67    71    72   0.29150  1.0 1.0
   65    67    71    72  -0.28350 -1.0 2.0
   65    67    71    72   0.43600  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.23400  1.0 3.0
   66    65    81    77   0.37050  1.0 3.0
   67    65    81    77   0.06250  1.0 1.0
   67    65    81    77  -0.01100 -1.0 2.0
   67    65    81    77   0.28050  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69   -73    77   0.56750  1.0 1.0
   67    69   -73    77  -0.07550 -1.0 2.0
   67    69   -73    77   0.20000  1.0 3.0
   67    69    73    79  -0.47750  1.0 1.0
   67    69    75    76   0.29150  1.0 1.0
   67    69    75    76  -0.28350 -1.0 2.0
   67    69    75    76   0.43600  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72   0.29150  1.0 1.0
   69    67    71    72  -0.28350 -1.0 2.0
   69    67    71    72   0.43600  1.0 3.0
   69    73    77    78   0.15000  1.0 3.0
   69    73    77    81   0.62750  1.0 1.0
   69    73    77    81  -0.30950 -1.0 2.0
   69    73    77    81   0.27300  1.0 3.0
   69    73    77    82   0.56750  1.0 1.0
   69    73    77    82  -0.07550 -1.0 2.0
   69    73    77    82   0.20000  1.0 3.0
   69    73    79    80   0.29150  1.0 1.0
   69    73    79    80  -0.28350 -1.0 2.0
   69    73    79    80   0.43600  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    79   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    77   -81    65   0.06250  1.0 1.0
   73    77   -81    65  -0.01100 -1.0 2.0
   73    77   -81    65   0.28050  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85  -0.47750  1.0 1.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.23400  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80   0.29150  1.0 1.0
   77    73    79    80  -0.28350 -1.0 2.0
   77    73    79    80   0.43600  1.0 3.0
   77    82    85    86   0.29150  1.0 1.0
   77    82    85    86  -0.28350 -1.0 2.0
   77    82    85    86   0.43600  1.0 3.0
   78    77    81    65   0.37050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.23400  1.0 3.0
   81    65    67    68   0.23400  1.0 3.0
   81    65   -67    69   0.62750  1.0 1.0
   81    65   -67    69  -0.30950 -1.0 2.0
   81    65   -67    69   0.27300  1.0 3.0
   81    65    67    71   1.51850  1.0 1.0
   81    77    82    83   0.23400  1.0 3.0
   81    77    82    84   0.23400  1.0 3.0
   81    77    82    85   1.51850  1.0 1.0
   82    77    81    65   0.06250  1.0 1.0
   82    77    81    65  -0.01100 -1.0 2.0
   82    77    81    65   0.28050  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   1.51850  1.0 1.0
   79    73    77    82  -0.47750  1.0 1.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77  -0.47750  1.0 1.0
   75    69    73    79   3.77950  1.0 1.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73  -0.47750  1.0 1.0
   71    67    69    75   3.77950  1.0 1.0
   51    43    49    50   0.15000  1.0 3.0
   51    43    49    60   0.61850  1.0 1.0
   51    43    49    60  -0.22750 -1.0 2.0
   51    43    49    60   0.15300  1.0 3.0
   51    43    49    61   0.61850  1.0 1.0
   51    43    49    61  -0.22750 -1.0 2.0
   51    43    49    61   0.15300  1.0 3.0
   52    51    62    63   7.00000 -1.0 2.0
   52    51    62    64   7.00000 -1.0 2.0
   45    39    43    44   0.15000  1.0 3.0
   45    39    43    49   3.97050  1.0 1.0
   45    39    43    51   0.34400  1.0 1.0
   45    39    43    51   0.09450 -1.0 2.0
   45    39    43    51   0.11100  1.0 3.0
   46    45    53    54   0.00000  1.0 1.0
   46    45    53    55   0.00000  1.0 1.0
   47    45    53    54   0.00000  1.0 1.0
   47    45    53    55   0.00000  1.0 1.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    45   0.09850  1.0 1.0
   41    38    39    45   0.15250 -1.0 2.0
   41    38    39    45  -0.50650  1.0 3.0
   41    48    56    57   0.08050  1.0 3.0
   41    48    56    58   0.08050  1.0 3.0
   41    48    56    59   0.08050  1.0 3.0
   42    41    48    56   2.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   43    52    51    62  15.00000 -1.0 2.0
   63    64    62    51  15.00000 -1.0 2.0
   45    55    53    54  10.50000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
