* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    171    264     506
    1     0 S   NP   _N1_     1    29.51270    99.00389   -23.92276
    2     1 S   H    _HN1     2     1.02820    59.05948   178.12393
    3     1 S   H    _H1_     3     1.02792   106.75449   -80.71967
    4     1 S   H    _H2_     4     1.02941    50.94129    19.59584
    5     1 S   CT   _CA1     5     1.50139   140.95798    92.92061
    6     5 S   HC   _HA1     6     1.09575   105.17049   125.52642
    7     5 S   CO3  _C1_     7     1.53800   112.19685     5.33024
    8     7 S   O2Z  _O11     8     1.26382   115.02575   -47.87442
    9     7 S   O2Z  _O12     9     1.26208   114.96522   130.82622
   10     5 S   CT   _CB1    10     1.53045   107.33526  -116.57642
   11    10 S   HC   HB11    11     1.09843   109.50726   -48.81813
   12    10 S   HC   HB12    12     1.09803   110.48540    67.83276
   13    10 S   CT   _CG1    13     1.52965   112.48170  -169.63703
   14    13 S   HC   HG11    14     1.09556   110.67372   -66.24590
   15    13 S   HC   HG12    15     1.09650   109.65564    53.01103
   16    13 S   C    _CD1    16     1.51756   111.79632   173.91095
   17    16 S   O    _OE1    17     1.22795   122.96305    18.90655
   18    16 S   N    _N2_    18     1.38442   112.06629  -161.90247
   19    18 S   H    _HN2    19     1.01966   119.42880     3.42634
   20    18 S   CT1  _CA2    20     1.46134   123.54575   177.71261
   21    20 S   HC   _HA2    21     1.09740   109.50802     1.63781
   22    20 S   C    _C2_    22     1.53596   108.45047  -113.62438
   23    22 S   O    _O2_    23     1.23075   122.41992  -146.35793
   24    20 S   CT   _CB2    32     1.53128   111.11496   123.81974
   25    24 S   HC   HB21    33     1.09334   109.79334    50.71839
   26    24 S   HC   HB22    34     1.09450   110.44228   170.11742
   27    22 S   N    _N3_    24     1.38445   113.52843    41.77589
   28    27 S   H    _HN3    25     1.01569   119.46510    -6.04202
   29    24 S   S    _SG2    35     1.82780   111.52473   -70.53017
   30    27 S   CT   _CA3    26     1.45246   123.13900   177.02869
   31    30 S   HC   HA31    27     1.09562   107.85839   -54.78301
   32    30 S   HC   HA32    28     1.09556   107.58532    61.58074
   33    29 S   CT   _C11    36     1.85136   100.68931   155.11296
   34    33 S   HC   _H3_    37     1.09549   104.83757   -59.70648
   35    30 S   CO3  _C3_    29     1.52956   114.20768  -176.87125
   36    35 S   O2Z  _O31    30     1.26373   116.17107    -4.72663
   37    35 S   O2Z  _O32    31     1.26467   114.40043   175.21099
   38    33 S   CT   _C12    38     1.54518   113.14837    57.49837
   39    38 S   HC   _H4_    39     1.09747   107.43492   -49.42580
   40    33 S   CT   _C10    70     1.53738   107.50245  -175.35029
   41    40 S   HC   _H19    71     1.09455   112.07489  -163.02597
   42    40 S   HC   _H20    72     1.09702   112.36933   -44.38116
   43    38 S   CT   _C16    40     1.54738   114.08432  -169.62400
   44    43 S   HC   _H7_    41     1.09407   111.57940   -51.38854
   45    38 S   CT   _C13    52     1.53250   117.66919    72.22363
   46    45 S   HC   _H5_    53     1.09569   111.51915    47.35146
   47    40 S   CO4  _C9_    73     1.52008   111.50099    78.07637
   48    47 S   O    _O33    74     1.23070   121.25667   -99.01331
   49    43 S   CT   _C17    42     1.50860   115.54977    78.26283
   50    49 S   HC   _H23    43     1.09199   112.61754   -42.58193
   51    49 S   HC   _H24    44     1.09569   110.59276  -164.73617
   52    45 S   OH   _O37    54     1.41484   111.81442   -74.58686
   53    52 S   HO   _H32    55     0.97230   107.60482  -175.23552
   54    47 S   CT   _C8_    75     1.51962   116.76940    82.54055
   55    54 S   HC   _H17    76     1.09593   106.70037    97.60578
   56    54 S   HC   _H18    77     1.09550   109.67459   -18.29800
   57    49 S   CM   _C18    45     1.49443   100.62367    79.66567
   58    54 S   CT   _C7_    78     1.52642   113.11042  -141.41829
   59    58 S   HC   _H15    79     1.09699   108.23423  -166.03994
   60    58 S   HC   _H16    80     1.09638   110.62143   -49.23194
   61    57 S   OS   _O36    46     1.39261   112.52911    22.66900
   62    57 S   CM   _C19    56     1.34097   126.27902  -150.64487
   63    62 S   HC   _H25    57     1.08776   118.50241   175.36891
   64    58 S   CT   _C6_    81     1.53174   112.27051    73.78523
   65    64 S   HC   _H13    82     1.09633   110.04996   -62.10183
   66    64 S   HC   _H14    83     1.09698   109.49112    55.44526
   67    43 S   CT   _C15    47     1.52435   102.96451  -170.64023
   68    67 S   HC   _H6_    48     1.09571   113.05847   153.09953
   69    62 S   CT   _C20    58     1.50271   125.25477    -4.26958
   70    69 S   HC   _H26    59     1.09681   110.33608   -33.41017
   71    69 S   HC   _H27    60     1.09673   108.49088  -149.25082
   72    64 S   CT   _C5_    84     1.52870   111.16617   176.58115
   73    72 S   HC   _H11    85     1.09620   109.99859   -54.74407
   74    72 S   HC   _H12    86     1.09602   109.69592    62.96700
   75    67 S   CT   _C14    49     1.53042   106.18067    29.40313
   76    75 S   HC   _H21    50     1.09586   110.62918   114.01875
   77    75 S   HC   _H22    51     1.09593   111.99372  -126.18948
   78    69 S   CT   _C21    61     1.53015   111.62797    89.25842
   79    78 S   HC   _H28    62     1.09547   109.17585   -59.64360
   80    78 S   HC   _H29    63     1.09745   110.22812    57.24585
   81    72 S   CT   _C4_    87     1.51971   111.52687  -175.68434
   82    81 S   HC   _H8_    88     1.09334   111.07805   -59.00150
   83    81 S   HC   _H9_    89     1.09458   110.86922    61.45784
   84    81 S   HC   _H10    90     1.09432   110.33601  -178.91142
   85    78 S   CT   _C22    64     1.52510   111.65195   179.26751
   86    85 S   HC   _H30    65     1.09708   109.67755    55.41837
   87    85 S   HC   _H31    66     1.09700   109.31023   -61.96535
   88    85 S   CO3  _C23    67     1.53273   114.86683   175.90351
   89    88 S   O2Z  _O35    68     1.26485   114.09651   163.76464
   90    88 S   O2Z  _O34    69     1.26177   116.62188   -17.16041
  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
  17   8   2   1   1  21   9  10   4   3  15   9  10   6   8   4
  10   5   4   5   1   9   5   4  10   9   5   4   8   9   4   9
   5   4   4   3   9   5   4   6   5   4   2   1   1   8   5   4
   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    45    40    41    42    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    49    67    75    45    46    52    40    41    42    47    48    54  
   38    39    43    45    40    41    42    47  
   36    37  
   37  
    0  
   39    43    44    49    50    51    57    61    67    68    75    76    77    45    46    52    53    40    41    42    47  
   43    44    49    67    75    45    46    52    40  
   41    42    47    48    54    55    56    58    43    45  
   42    47    48    54  
   47    48    54  
   44    49    50    51    57    61    67    68    75    76    77    45    46    52    62  
   49    50    51    57    61    67    68    75    45  
   46    52    53    49    61    67    68    75    76    77  
   52    53    67    75    76    77  
   48    54    55    56    58    59    60    64  
   54    55    56    58  
   50    51    57    61    67    68    75    62    63    69  
   51    57    61    67    62  
   57    61    67    62  
   53    67    75    76    77  
   75  
   55    56    58    59    60    64    65    66    72  
   56    58    59    60    64  
   58    59    60    64  
   61    67    68    75    62    63    69    70    71    78  
   59    60    64    65    66    72    73    74    81  
   60    64    65    66    72  
   64    65    66    72  
   67    68    75    76    77    62    63    69  
   63    69    70    71    78    79    80    85    67  
   69    70    71    78  
   65    66    72    73    74    81    82    83    84  
   66    72    73    74    81  
   72    73    74    81  
   68    75    76    77  
   75    76    77  
   70    71    78    79    80    85    86    87    88  
   71    78    79    80    85  
   78    79    80    85  
   73    74    81    82    83    84  
   74    81    82    83    84  
   81    82    83    84  
   76    77  
   77  
    0  
   79    80    85    86    87    88    89    90  
   80    85    86    87    88  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    90  
   87    88    89    90  
   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  -0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    40   268.000  1.529
   38    39   340.000  1.090
   38    43   268.000  1.529
   38    45   268.000  1.529
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    67   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    57   317.000  1.510
   57    61   440.000  1.360
   57    62   549.000  1.340
   61    67   320.000  1.410
   67    68   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    45   268.000  1.529
   45    46   340.000  1.090
   45    52   320.000  1.410
   52    53   553.000  0.945
   62    63   340.000  1.080
   62    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   317.000  1.522
   88    89   656.000  1.250
   88    90   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    47   317.000  1.522
   47    48   570.000  1.229
   47    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    38    45    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    47    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    49    58.35000  112.70000
   38    43    67    58.35000  112.70000
   38    45    75    58.35000  112.70000
   38    45    46    37.50000  110.70000
   38    45    52    50.00000  109.50000
   43    38    39    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    57    70.00000  112.02700
   43    67    61    50.00000  109.50000
   43    67    68    37.50000  110.70000
   43    67    75    58.35000  112.70000
   49    43    44    37.50000  110.70000
   49    57    61    85.00000  112.85300
   49    57    62    70.00000  124.00000
   51    49    50    33.00000  107.80000
   57    49    50    35.00000  109.50000
   57    49    51    35.00000  109.50000
   57    61    67    90.00000  111.18400
   57    62    63    35.00000  120.00000
   57    62    69    70.00000  124.00000
   61    67    68    35.00000  109.50000
   61    67    75    50.00000  109.50000
   67    43    44    37.50000  110.70000
   67    43    49    58.35000  112.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    45    58.35000  112.70000
   75    67    68    37.50000  110.70000
   75    45    46    37.50000  110.70000
   75    45    52    50.00000  109.50000
   77    75    76    33.00000  107.80000
   45    38    39    37.50000  110.70000
   45    38    43    58.35000  112.70000
   45    75    76    37.50000  110.70000
   45    75    77    37.50000  110.70000
   45    52    53    55.00000  108.50000
   52    45    46    35.00000  109.50000
   62    57    61    80.00000  120.01400
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    78    70.00000  112.02700
   69    62    63    35.00000  117.00000
   69    78    79    37.50000  110.70000
   69    78    80    37.50000  110.70000
   69    78    85    58.35000  112.70000
   71    69    70    33.00000  107.80000
   78    69    70    37.50000  110.70000
   78    69    71    37.50000  110.70000
   78    85    86    37.50000  110.70000
   78    85    87    37.50000  110.70000
   78    85    88    70.00000  109.69300
   80    78    79    33.00000  107.80000
   85    78    79    37.50000  110.70000
   85    78    80    37.50000  110.70000
   85    88    89    70.00000  117.00000
   85    88    90    70.00000  117.00000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   90    88    89    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    47    48    80.00000  120.40000
   40    47    54    70.00000  116.00000
   42    40    41    33.00000  107.80000
   47    40    41    35.00000  109.50000
   47    40    42    35.00000  109.50000
   47    54    55    35.00000  109.50000
   47    54    56    35.00000  109.50000
   47    54    58    63.00000  111.10000
   54    47    48    80.00000  120.40000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    72    58.35000  112.70000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    72    73    37.50000  110.70000
   64    72    74    37.50000  110.70000
   64    72    81    58.35000  112.70000
   66    64    65    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    81    82    37.50000  110.70000
   72    81    83    37.50000  110.70000
   72    81    84    37.50000  110.70000
   74    72    73    33.00000  107.80000
   81    72    73    37.50000  110.70000
   81    72    74    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    38    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    49   0.56750  1.0 1.0
   33    38    43    49  -0.07550 -1.0 2.0
   33    38    43    49   0.20000  1.0 3.0
   33    38    43    67   0.56750  1.0 1.0
   33    38    43    67  -0.07550 -1.0 2.0
   33    38    43    67   0.20000  1.0 3.0
   33    38    45    75   0.56750  1.0 1.0
   33    38    45    75  -0.07550 -1.0 2.0
   33    38    45    75   0.20000  1.0 3.0
   33    38    45    46   0.15000  1.0 3.0
   33    38    45    52   0.86500  1.0 1.0
   33    38    45    52  -0.17500 -1.0 2.0
   33    38    45    52   0.20800  1.0 3.0
   33    40    47    48   0.30150 -1.0 2.0
   33    40    47    54   0.60050  1.0 1.0
   33    40    47    54   0.05600 -1.0 2.0
   33    40    47    54   0.26150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    45   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    47  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    47  -0.95700  1.0 1.0
   38    33    40    47  -0.18200 -1.0 2.0
   38    33    40    47   0.29450  1.0 3.0
   38    43    49    50   0.15000  1.0 3.0
   38    43    49    51   0.15000  1.0 3.0
   38    43    49    57   0.34400  1.0 1.0
   38    43    49    57   0.09450 -1.0 2.0
   38    43    49    57   0.11100  1.0 3.0
   38    43    67    61   0.62750  1.0 1.0
   38    43    67    61  -0.30950 -1.0 2.0
   38    43    67    61   0.27300  1.0 3.0
   38    43    67    68   0.15000  1.0 3.0
   38    43   -67    75   0.56750  1.0 1.0
   38    43   -67    75  -0.07550 -1.0 2.0
   38    43   -67    75   0.20000  1.0 3.0
   38    45    52    53  -0.11600  1.0 1.0
   38    45    52    53  -0.09450 -1.0 2.0
   38    45    52    53   0.21250  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   39    38    43    67   0.15000  1.0 3.0
   39    38    45    75   0.15000  1.0 3.0
   39    38    45    46   0.15000  1.0 3.0
   39    38    45    52   0.23400  1.0 3.0
   43    38   -45    75   0.56750  1.0 1.0
   43    38   -45    75  -0.07550 -1.0 2.0
   43    38   -45    75   0.20000  1.0 3.0
   43    38    45    46   0.15000  1.0 3.0
   43    38    45    52   0.86500  1.0 1.0
   43    38    45    52  -0.17500 -1.0 2.0
   43    38    45    52   0.20800  1.0 3.0
   43    49   -57    61   0.09700  1.0 1.0
   43    49   -57    61   0.15600 -1.0 2.0
   43    49   -57    61  -0.50800  1.0 3.0
   43    49    57    62   0.09850  1.0 1.0
   43    49    57    62   0.15250 -1.0 2.0
   43    49    57    62  -0.50650  1.0 3.0
   43    67    75    76   0.15000  1.0 3.0
   43    67    75    77   0.15000  1.0 3.0
   43    67   -75    45   0.56750  1.0 1.0
   43    67   -75    45  -0.07550 -1.0 2.0
   43    67   -75    45   0.20000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    57   0.15000  1.0 3.0
   44    43    67    61   0.23400  1.0 3.0
   44    43    67    68   0.15000  1.0 3.0
   44    43    67    75   0.15000  1.0 3.0
   49    43   -67    61   0.62750  1.0 1.0
   49    43   -67    61  -0.30950 -1.0 2.0
   49    43   -67    61   0.27300  1.0 3.0
   49    43    67    68   0.15000  1.0 3.0
   49    43    67    75   0.56750  1.0 1.0
   49    43    67    75  -0.07550 -1.0 2.0
   49    43    67    75   0.20000  1.0 3.0
   49    57   -61    67   2.00000 -1.0 2.0
   49    57    62    63   7.00000 -1.0 2.0
   49    57    62    69   7.00000 -1.0 2.0
   50    49    57    61   0.00000  1.0 1.0
   50    49    57    62   0.00000  1.0 1.0
   51    49    57    61   0.00000  1.0 1.0
   51    49    57    62   0.00000  1.0 1.0
   57    61   -67    43  -0.46850  1.0 1.0
   57    61   -67    43   0.09300 -1.0 2.0
   57    61   -67    43  -0.12850  1.0 3.0
   57    61    67    68   0.08050  1.0 3.0
   57    61    67    75  -0.46850  1.0 1.0
   57    61    67    75   0.09300 -1.0 2.0
   57    61    67    75  -0.12850  1.0 3.0
   57    62    69    70   0.00000  1.0 1.0
   57    62    69    71   0.00000  1.0 1.0
   57    62    69    78   0.09850  1.0 1.0
   57    62    69    78   0.15250 -1.0 2.0
   57    62    69    78  -0.50650  1.0 3.0
   61    57    62    63   7.00000 -1.0 2.0
   61    57    62    69   7.00000 -1.0 2.0
   61    67    75    76   0.23400  1.0 3.0
   61    67    75    77   0.23400  1.0 3.0
   61    67    75    45   0.62750  1.0 1.0
   61    67    75    45  -0.30950 -1.0 2.0
   61    67    75    45   0.27300  1.0 3.0
   67    43    49    50   0.15000  1.0 3.0
   67    43    49    51   0.15000  1.0 3.0
   67    43   -49    57   0.34400  1.0 1.0
   67    43   -49    57   0.09450 -1.0 2.0
   67    43   -49    57   0.11100  1.0 3.0
   67    75   -45    38   0.56750  1.0 1.0
   67    75   -45    38  -0.07550 -1.0 2.0
   67    75   -45    38   0.20000  1.0 3.0
   67    75    45    46   0.15000  1.0 3.0
   67    75    45    52   0.86500  1.0 1.0
   67    75    45    52  -0.17500 -1.0 2.0
   67    75    45    52   0.20800  1.0 3.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    77   0.15000  1.0 3.0
   68    67    75    45   0.15000  1.0 3.0
   75    45    52    53  -0.11600  1.0 1.0
   75    45    52    53  -0.09450 -1.0 2.0
   75    45    52    53   0.21250  1.0 3.0
   76    75    45    38   0.15000  1.0 3.0
   76    75    45    46   0.15000  1.0 3.0
   76    75    45    52   0.23400  1.0 3.0
   77    75    45    38   0.15000  1.0 3.0
   77    75    45    46   0.15000  1.0 3.0
   77    75    45    52   0.23400  1.0 3.0
   45    38    43    44   0.15000  1.0 3.0
   45    38    43    49   0.56750  1.0 1.0
   45    38    43    49  -0.07550 -1.0 2.0
   45    38    43    49   0.20000  1.0 3.0
   45    38   -43    67   0.56750  1.0 1.0
   45    38   -43    67  -0.07550 -1.0 2.0
   45    38   -43    67   0.20000  1.0 3.0
   46    45    52    53   0.19450  1.0 3.0
   62    57    61    67  -2.26850  1.0 1.0
   62    57    61    67   3.39050 -1.0 2.0
   62    69    78    79   0.15000  1.0 3.0
   62    69    78    80   0.15000  1.0 3.0
   62    69    78    85   0.34400  1.0 1.0
   62    69    78    85   0.09450 -1.0 2.0
   62    69    78    85   0.11100  1.0 3.0
   63    62    69    70   0.33100  1.0 3.0
   63    62    69    71   0.33100  1.0 3.0
   63    62    69    78   0.00000  1.0 1.0
   69    78    85    86   0.15000  1.0 3.0
   69    78    85    87   0.15000  1.0 3.0
   69    78    85    88  -1.63150  1.0 1.0
   69    78    85    88  -0.43550 -1.0 2.0
   69    78    85    88   0.24500  1.0 3.0
   70    69    78    79   0.15000  1.0 3.0
   70    69    78    80   0.15000  1.0 3.0
   70    69    78    85   0.15000  1.0 3.0
   71    69    78    79   0.15000  1.0 3.0
   71    69    78    80   0.15000  1.0 3.0
   71    69    78    85   0.15000  1.0 3.0
   78    85    88    89   0.41150 -1.0 2.0
   78    85    88    90   0.41150 -1.0 2.0
   79    78    85    86   0.15000  1.0 3.0
   79    78    85    87   0.15000  1.0 3.0
   79    78    85    88  -0.11250  1.0 3.0
   80    78    85    86   0.15000  1.0 3.0
   80    78    85    87   0.15000  1.0 3.0
   80    78    85    88  -0.11250  1.0 3.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   87    85    88    89   0.00000  1.0 1.0
   87    85    88    90   0.00000  1.0 1.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   40    33    38    45   0.56750  1.0 1.0
   40    33    38    45  -0.07550 -1.0 2.0
   40    33    38    45   0.20000  1.0 3.0
   40    47    54    55   0.00000  1.0 1.0
   40    47    54    56   0.00000  1.0 1.0
   40    47    54    58   0.60050  1.0 1.0
   40    47    54    58   0.05600 -1.0 2.0
   40    47    54    58   0.26150  1.0 3.0
   41    40    47    48   0.00000  1.0 1.0
   41    40    47    54   0.00000  1.0 1.0
   42    40    47    48   0.00000  1.0 1.0
   42    40    47    54   0.00000  1.0 1.0
   47    54    58    59  -0.11250  1.0 3.0
   47    54    58    60  -0.11250  1.0 3.0
   47    54    58    64  -0.95700  1.0 1.0
   47    54    58    64  -0.18200 -1.0 2.0
   47    54    58    64   0.29450  1.0 3.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    56   0.00000  1.0 1.0
   48    47    54    58   0.30150 -1.0 2.0
   54    58    64    65   0.15000  1.0 3.0
   54    58    64    66   0.15000  1.0 3.0
   54    58    64    72   0.56750  1.0 1.0
   54    58    64    72  -0.07550 -1.0 2.0
   54    58    64    72   0.20000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    64   0.15000  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    60   0.15000  1.0 3.0
   56    54    58    64   0.15000  1.0 3.0
   58    64    72    73   0.15000  1.0 3.0
   58    64    72    74   0.15000  1.0 3.0
   58    64    72    81   0.56750  1.0 1.0
   58    64    72    81  -0.07550 -1.0 2.0
   58    64    72    81   0.20000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    72   0.15000  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    72   0.15000  1.0 3.0
   64    72    81    82   0.15000  1.0 3.0
   64    72    81    83   0.15000  1.0 3.0
   64    72    81    84   0.15000  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    74   0.15000  1.0 3.0
   65    64    72    81   0.15000  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    74   0.15000  1.0 3.0
   66    64    72    81   0.15000  1.0 3.0
   73    72    81    82   0.15000  1.0 3.0
   73    72    81    83   0.15000  1.0 3.0
   73    72    81    84   0.15000  1.0 3.0
   74    72    81    82   0.15000  1.0 3.0
   74    72    81    83   0.15000  1.0 3.0
   74    72    81    84   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   49    61    57    62   1.10000 -1.0 2.0
   69    63    62    57   1.10000 -1.0 2.0
   89    85    88    90  10.50000 -1.0 2.0
   40    54    47    48  10.50000 -1.0 2.0
END
