* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    161    224     464
    1     0 S   NP   _N1_     1    30.01751    92.81492   -17.64897
    2     1 S   H    _HN1     2     1.03628   139.26516    82.96514
    3     1 S   H    _H1_     3     1.02825    33.57503   105.62595
    4     1 S   H    _H2_     4     1.02730    85.15409   -27.97256
    5     1 S   CT   _CA1     5     1.50292    99.05542  -139.61277
    6     5 S   HC   _HA1     6     1.09642   105.21843    33.90803
    7     5 S   CO3  _C1_     7     1.54239   111.04734   -83.93996
    8     7 S   O2Z  _O11     8     1.26278   116.20436   -94.08295
    9     7 S   O2Z  _O12     9     1.26432   114.14681    84.26990
   10     5 S   CT   _CB1    10     1.52852   106.73439   150.38373
   11    10 S   HC   HB11    11     1.09859   109.89615   -50.71579
   12    10 S   HC   HB12    12     1.09656   109.64716    64.91610
   13    10 S   CT   _CG1    13     1.53110   113.20253  -171.81544
   14    13 S   HC   HG11    14     1.09522   111.93437   -49.84437
   15    13 S   HC   HG12    15     1.09553   110.58861    69.74631
   16    13 S   C    _CD1    16     1.51398   109.43728  -170.19109
   17    16 S   O    _OE1    17     1.22775   122.12131  -103.55433
   18    16 S   N    _N2_    18     1.38397   112.29137    74.24615
   19    18 S   H    _HN2    19     1.01661   118.99804     7.85383
   20    18 S   CT1  _CA2    20     1.45781   123.28452  -172.53350
   21    20 S   HC   _HA2    21     1.09682   109.82922    18.19355
   22    20 S   C    _C2_    22     1.52637   105.09613   -99.59073
   23    22 S   O    _O2_    23     1.22954   122.44162   -86.03533
   24    20 S   CT   _CB2    32     1.53335   111.01643   140.34133
   25    24 S   HC   HB21    33     1.09590   110.42100    56.60413
   26    24 S   HC   HB22    34     1.09466   109.91184   175.88016
   27    22 S   N    _N3_    24     1.38552   112.69369    89.62993
   28    27 S   H    _HN3    25     1.01571   119.51829     3.30973
   29    24 S   S    _SG2    35     1.82997   110.90438   -63.35619
   30    27 S   CT   _CA3    26     1.45486   123.34972  -179.25375
   31    30 S   HC   HA31    27     1.09507   109.50833    18.98606
   32    30 S   HC   HA32    28     1.09506   107.03990   135.98230
   33    29 S   CT   _C12    36     1.85063    99.69198   175.04006
   34    33 S   HC   _H16    37     1.09621   106.37022   -17.71683
   35    30 S   CO3  _C3_    29     1.52899   113.09675  -104.66551
   36    35 S   O2Z  _O31    30     1.26400   115.41083   -45.08382
   37    35 S   O2Z  _O32    31     1.26361   114.98630   135.88203
   38    33 S   CT   _C11    38     1.54223   109.31341   101.06421
   39    38 S   HC   _H5_    39     1.09723   110.85525    47.72354
   40    38 S   CT   _C10    40     1.53988   112.51902   169.96575
   41    40 S   HC   _H4_    41     1.09629   110.69959    75.38840
   42    38 S   OS   _O44    85     1.43386   107.44740   -71.70992
   43    40 S   CT   _C9_    42     1.53549   112.62023   -49.37108
   44    43 S   HC   _H15    43     1.09698   109.00454   -67.06341
   45    40 S   OH   _O48    83     1.43009   109.49755  -168.69899
   46    45 S   HO   _H20    84     0.97478   108.49317   -43.49387
   47    42 S   P2   _P3_    86     1.63067   121.50395   136.48686
   48    47 S   O2Z  _O47    87     1.51087   109.79455    53.12053
   49    47 S   O2Z  _O45    88     1.51101   108.19265  -173.47923
   50    43 S   CT   _C14    44     1.53209   111.46444    54.23755
   51    50 S   HC   _H7_    45     1.09271   110.18402  -179.18435
   52    43 S   OS   _O38    56     1.43036   108.03833   175.19670
   53    47 S   OS   _O46    89     1.62880   100.05291   -61.07528
   54    53 S   HO   _H19    90     0.97896   116.27666   -81.55599
   55    33 S   CT   _C13    46     1.54099   108.74146  -135.28353
   56    55 S   HC   _H6_    47     1.09830   109.92626   -53.85145
   57    50 S   OH   _O39    54     1.43267   110.65394    65.15850
   58    57 S   HO   _H17    55     0.96963   109.50871   -60.77639
   59    52 S   P2   _P1_    57     1.63507   120.93279   146.89931
   60    59 S   O2Z  _O37    58     1.51372   108.11466  -176.00164
   61    59 S   O2Z  _O36    59     1.51189   109.38440    51.30844
   62    55 S   OS   _O40    48     1.43040   108.87676    65.97833
   63    59 S   OS   _O35    60     1.63370   100.64418   -62.03268
   64    62 S   P2   _P2_    49     1.63071   119.51717  -143.77044
   65    64 S   O2Z  _O43    50     1.51266   109.70182    69.61940
   66    64 S   O2Z  _O41    51     1.51000   109.97741   -65.24898
   67    63 S   CT   _C8_    61     1.42383   119.34026   -69.68143
   68    67 S   HC   _H13    62     1.09460   108.41457   -74.52447
   69    67 S   HC   _H14    63     1.09329   108.97154    43.88460
   70    64 S   OS   _O42    52     1.62934    98.36347  -178.12320
   71    70 S   HO   _H18    53     0.98352   117.10219   -79.90786
   72    67 S   CT   _C7_    64     1.52932   108.33305   165.40506
   73    72 S   HC   _H3_    65     1.09715   109.00581    53.79094
   74    72 S   CT   _C6_    66     1.53046   111.94036   176.23610
   75    74 S   HC   _H11    67     1.09583   110.14702   -62.93755
   76    74 S   HC   _H12    68     1.09563   110.30838   176.10389
   77    72 S   OS   _O49    76     1.44761   107.20585   -63.95624
   78    74 S   OS   _O34    69     1.43876   109.27764    56.80267
   79    77 S   CO4  _C15    77     1.36021   117.92243   155.42485
   80    79 S   O    _O50    78     1.22325   126.39981     0.81565
   81    78 S   CO4  _C5_    70     1.36116   115.92647   176.18869
   82    81 S   O    _O33    71     1.22332   126.25816     1.27626
   83    79 S   CT   _C16    79     1.49855   109.42716  -179.04448
   84    83 S   HC   _H21    80     1.09267   109.87072   -60.16310
   85    83 S   HC   _H22    81     1.09370   109.37628  -179.18916
   86    83 S   HC   _H23    82     1.09294   109.78665    61.73557
   87    81 S   CT   _C4_    72     1.49844   109.50981  -178.81320
   88    87 S   HC   _H8_    73     1.09288   109.82036   -61.91855
   89    87 S   HC   _H9_    74     1.09376   109.36687   178.95526
   90    87 S   HC   _H10    75     1.09306   109.82975    59.94984
  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
  16   8   2   1   1  17   7  13   7   8  15   7   3   1   4   3
   2   9   6   7   1   1   8   3   2   1   7   3   2   5   7   4
   3   2  10   5   4   1   1  10   6   8   4   3   7   6   5   4
   5   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    55    56    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    55    56    62    64    57    45    42    47  
   38    39    40    50    55    56    62    42  
   36    37  
   37  
    0  
   39    40    41    43    44    50    55    56    62    52    45    46    42    47    48    49    53  
   40    41    43    55    45    42    47  
   41    43    44    50    51    55    57    52    59    45    46    42    47  
   43    44    50    52    45    46    42  
   47    48    49    53    54    43    45    55  
   44    50    51    55    56    62    57    58    52    59    60    61    63    45    46  
   50    51    55    57    52    59    45  
   46    50    52  
    0  
   48    49    53    54  
   49    53    54  
   53    54  
   51    55    56    62    64    57    58    52    59  
   55    56    62    57    58    52  
   59    60    61    63    67    55    57  
   54  
    0  
   56    62    64    65    66    70    57    58  
   62    64    57  
   58    62  
    0  
   60    61    63    67    68    69    72  
   61    63    67  
   63    67  
   64    65    66    70    71  
   67    68    69    72    73    74    77  
   65    66    70    71  
   66    70    71  
   70    71  
   68    69    72    73    74    75    76    78    77    79  
   69    72    73    74    77  
   72    73    74    77  
   71  
    0  
   73    74    75    76    78    81    77    79    80    83  
   74    75    76    78    77    79  
   75    76    78    81    82    87    77    79  
   76    78    81    77  
   78    81    77  
   79    80    83    84    85    86    78  
   81    82    87    88    89    90  
   80    83    84    85    86  
   83    84    85    86  
   82    87    88    89    90  
   87    88    89    90  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   53   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   63   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   65   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   67   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   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    55   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    52   320.000  1.410
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    57   320.000  1.410
   55    56   340.000  1.090
   55    62   320.000  1.410
   62    64   230.000  1.697
   64    65   525.000  1.480
   64    66   525.000  1.480
   64    70   230.000  1.697
   70    71   553.000  0.945
   57    58   553.000  0.945
   52    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    63   230.000  1.697
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   320.000  1.410
   78    81   214.000  1.327
   81    82   570.000  1.229
   81    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   77    79   214.000  1.327
   79    80   570.000  1.229
   79    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   45    46   553.000  0.945
   42    47   230.000  1.697
   47    48   525.000  1.480
   47    49   525.000  1.480
   47    53   230.000  1.697
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    50    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    50    58.35000  112.70000
   40    43    52    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    55    58.35000  112.70000
   43    50    57    50.00000  109.50000
   43    52    59   100.00000  120.50000
   50    43    44    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    62    50.00000  109.50000
   50    57    58    55.00000  108.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    50    51    37.50000  110.70000
   55    62    64   100.00000  120.50000
   62    55    56    35.00000  109.50000
   62    64    65   100.00000  108.23000
   62    64    66   100.00000  108.23000
   62    64    70    45.00000  102.60000
   64    70    71    45.00000  108.50000
   66    64    65   140.00000  119.90000
   70    64    65   100.00000  108.23000
   70    64    66   100.00000  108.23000
   57    50    51    35.00000  109.50000
   57    50    55    50.00000  109.50000
   52    43    44    35.00000  109.50000
   52    43    50    50.00000  109.50000
   52    59    60   100.00000  108.23000
   52    59    61   100.00000  108.23000
   52    59    63    45.00000  102.60000
   59    63    67   100.00000  120.50000
   61    59    60   140.00000  119.90000
   63    59    60   100.00000  108.23000
   63    59    61   100.00000  108.23000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    72    50.00000  109.50000
   67    72    73    37.50000  110.70000
   67    72    74    58.35000  112.70000
   67    72    77    50.00000  109.50000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    78    50.00000  109.50000
   72    77    79    83.00000  116.90000
   74    72    73    37.50000  110.70000
   74    78    81    83.00000  116.90000
   76    74    75    33.00000  107.80000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   78    81    82    83.00000  123.40000
   78    81    87    81.00000  111.40000
   81    87    88    35.00000  109.50000
   81    87    89    35.00000  109.50000
   81    87    90    35.00000  109.50000
   87    81    82    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    74    50.00000  109.50000
   77    79    80    83.00000  123.40000
   77    79    83    81.00000  111.40000
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    86    35.00000  109.50000
   83    79    80    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48   100.00000  108.23000
   42    47    49   100.00000  108.23000
   42    47    53    45.00000  102.60000
   47    53    54    45.00000  108.50000
   49    47    48   140.00000  119.90000
   53    47    48   100.00000  108.23000
   53    47    49   100.00000  108.23000
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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    50   0.44750  1.0 1.0
   29    33    55    50  -0.17800 -1.0 2.0
   29    33    55    50   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    62   0.56750  1.0 1.0
   29    33    55    62  -0.07550 -1.0 2.0
   29    33    55    62   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    55    62    64  -2.65550  1.0 1.0
   33    55    62    64  -0.22350 -1.0 2.0
   33    55    62    64   0.24150  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    42   0.23400  1.0 3.0
   34    33    55    50   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    62   0.23400  1.0 3.0
   38    33    55    50   0.56750  1.0 1.0
   38    33    55    50  -0.07550 -1.0 2.0
   38    33    55    50   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    62   0.62750  1.0 1.0
   38    33    55    62  -0.30950 -1.0 2.0
   38    33    55    62   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    50   0.56750  1.0 1.0
   38    40   -43    50  -0.07550 -1.0 2.0
   38    40   -43    50   0.20000  1.0 3.0
   38    40    43    52   0.62750  1.0 1.0
   38    40    43    52  -0.30950 -1.0 2.0
   38    40    43    52   0.27300  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    53   0.05050  1.0 1.0
   38    42    47    53  -1.30700 -1.0 2.0
   38    42    47    53   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43    50    51   0.15000  1.0 3.0
   40    43    50    55   0.56750  1.0 1.0
   40    43    50    55  -0.07550 -1.0 2.0
   40    43    50    55   0.20000  1.0 3.0
   40    43    50    57   0.86500  1.0 1.0
   40    43    50    57  -0.17500 -1.0 2.0
   40    43    50    57   0.20800  1.0 3.0
   40    43    52    59  -2.65550  1.0 1.0
   40    43    52    59  -0.22350 -1.0 2.0
   40    43    52    59   0.24150  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    50   0.15000  1.0 3.0
   41    40    43    52   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    50   -55    33   0.56750  1.0 1.0
   43    50   -55    33  -0.07550 -1.0 2.0
   43    50   -55    33   0.20000  1.0 3.0
   43    50    55    56   0.15000  1.0 3.0
   43    50    55    62   0.62750  1.0 1.0
   43    50    55    62  -0.30950 -1.0 2.0
   43    50    55    62   0.27300  1.0 3.0
   43    50    57    58  -0.11600  1.0 1.0
   43    50    57    58  -0.09450 -1.0 2.0
   43    50    57    58   0.21250  1.0 3.0
   43    52    59    60   0.00000  1.0 1.0
   43    52    59    61   0.00000  1.0 1.0
   43    52    59    63   0.05050  1.0 1.0
   43    52    59    63  -1.30700 -1.0 2.0
   43    52    59    63   0.91550  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    55   0.15000  1.0 3.0
   44    43    50    57   0.23400  1.0 3.0
   44    43    52    59   0.03000  1.0 3.0
   50    43    52    59  -2.65550  1.0 1.0
   50    43    52    59  -0.22350 -1.0 2.0
   50    43    52    59   0.24150  1.0 3.0
   50    55    62    64  -2.65550  1.0 1.0
   50    55    62    64  -0.22350 -1.0 2.0
   50    55    62    64   0.24150  1.0 3.0
   51    50    55    33   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    62   0.23400  1.0 3.0
   51    50    57    58   0.19450  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.62750  1.0 1.0
   55    33    38    42  -0.30950 -1.0 2.0
   55    33    38    42   0.27300  1.0 3.0
   55    50    57    58  -0.11600  1.0 1.0
   55    50    57    58  -0.09450 -1.0 2.0
   55    50    57    58   0.21250  1.0 3.0
   55    62    64    65   0.00000  1.0 1.0
   55    62    64    66   0.00000  1.0 1.0
   55    62    64    70   0.05050  1.0 1.0
   55    62    64    70  -1.30700 -1.0 2.0
   55    62    64    70   0.91550  1.0 3.0
   56    55    62    64   0.03000  1.0 3.0
   62    64    70    71   0.00000  1.0 1.0
   65    64    70    71   0.00000  1.0 1.0
   66    64    70    71   0.00000  1.0 1.0
   57    50    55    33   0.86500  1.0 1.0
   57    50    55    33  -0.17500 -1.0 2.0
   57    50    55    33   0.20800  1.0 3.0
   57    50    55    56   0.23400  1.0 3.0
   57    50    55    62   3.69350  1.0 1.0
   57    50    55    62  -1.82950 -1.0 2.0
   52    43    50    51   0.23400  1.0 3.0
   52    43    50    55   0.62750  1.0 1.0
   52    43    50    55  -0.30950 -1.0 2.0
   52    43    50    55   0.27300  1.0 3.0
   52    43    50    57   3.69350  1.0 1.0
   52    43    50    57  -1.82950 -1.0 2.0
   52    59    63    67   0.05050  1.0 1.0
   52    59    63    67  -1.30700 -1.0 2.0
   52    59    63    67   0.91550  1.0 3.0
   59    63    67    68   0.03000  1.0 3.0
   59    63    67    69   0.03000  1.0 3.0
   59    63    67    72  -2.65550  1.0 1.0
   59    63    67    72  -0.22350 -1.0 2.0
   59    63    67    72   0.24150  1.0 3.0
   60    59    63    67   0.00000  1.0 1.0
   61    59    63    67   0.00000  1.0 1.0
   63    67    72    73   0.23400  1.0 3.0
   63    67    72    74   0.62750  1.0 1.0
   63    67    72    74  -0.30950 -1.0 2.0
   63    67    72    74   0.27300  1.0 3.0
   63    67    72    77   1.11900  1.0 1.0
   63    67    72    77  -1.16350 -1.0 2.0
   63    67    72    77  -0.34150  1.0 3.0
   67    72    74    75   0.15000  1.0 3.0
   67    72    74    76   0.15000  1.0 3.0
   67    72    74    78   0.62750  1.0 1.0
   67    72    74    78  -0.30950 -1.0 2.0
   67    72    74    78   0.27300  1.0 3.0
   67    72    77    79  -0.25900  1.0 1.0
   67    72    77    79  -0.47000 -1.0 2.0
   67    72    77    79   0.11750  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    77   0.23400  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    77   0.23400  1.0 3.0
   72    74    78    81  -0.25900  1.0 1.0
   72    74    78    81  -0.47000 -1.0 2.0
   72    74    78    81   0.11750  1.0 3.0
   72    77    79    80   3.00000 -1.0 2.0
   72    77    79    83   1.63150  1.0 1.0
   72    77    79    83   2.92000 -1.0 2.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    78   0.23400  1.0 3.0
   73    72    77    79   0.08050  1.0 3.0
   74    72    77    79  -0.25900  1.0 1.0
   74    72    77    79  -0.47000 -1.0 2.0
   74    72    77    79   0.11750  1.0 3.0
   74    78    81    82   3.00000 -1.0 2.0
   74    78    81    87   1.63150  1.0 1.0
   74    78    81    87   2.92000 -1.0 2.0
   75    74    78    81   0.08050  1.0 3.0
   76    74    78    81   0.08050  1.0 3.0
   78    81    87    88   0.00000  1.0 1.0
   78    81    87    89   0.00000  1.0 1.0
   78    81    87    90   0.00000  1.0 1.0
   82    81    87    88   0.00000  1.0 1.0
   82    81    87    89   0.00000  1.0 1.0
   82    81    87    90   0.00000  1.0 1.0
   77    72    74    75   0.23400  1.0 3.0
   77    72    74    76   0.23400  1.0 3.0
   77    72    74    78   1.11900  1.0 1.0
   77    72    74    78  -1.16350 -1.0 2.0
   77    72    74    78  -0.34150  1.0 3.0
   77    79    83    84   0.00000  1.0 1.0
   77    79    83    85   0.00000  1.0 1.0
   77    79    83    86   0.00000  1.0 1.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    85   0.00000  1.0 1.0
   80    79    83    86   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    50   0.86500  1.0 1.0
   45    40    43    50  -0.17500 -1.0 2.0
   45    40    43    50   0.20800  1.0 3.0
   45    40    43    52   3.69350  1.0 1.0
   45    40    43    52  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
   42    47    53    54   0.00000  1.0 1.0
   48    47    53    54   0.00000  1.0 1.0
   49    47    53    54   0.00000  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
   78    87    81    82  10.50000 -1.0 2.0
   77    83    79    80  10.50000 -1.0 2.0
END
