* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    163    252     475
    1     0 S   NP   _N1_     1    28.31169    93.65806   -23.32431
    2     1 S   H    _HN1     2     1.02785   102.32508   -92.10212
    3     1 S   H    _H1_     3     1.02950    87.77743    16.20954
    4     1 S   H    _H2_     4     1.02829    23.66644   161.36029
    5     1 S   CT   _CA1     5     1.50104   132.07520   132.00861
    6     5 S   HC   _HA1     6     1.09572   105.20922    71.37950
    7     5 S   CO3  _C1_     7     1.53792   112.46025   -48.88797
    8     7 S   O2Z  _O11     8     1.26371   115.01217   -42.73457
    9     7 S   O2Z  _O12     9     1.26239   114.94549   136.45121
   10     5 S   CT   _CB1    10     1.53083   107.42784  -170.61829
   11    10 S   HC   HB11    11     1.09832   109.39892   -49.68167
   12    10 S   HC   HB12    12     1.09814   110.43345    66.92970
   13    10 S   CT   _CG1    13     1.52988   112.60108  -170.66003
   14    13 S   HC   HG11    14     1.09583   110.62426   -65.06712
   15    13 S   HC   HG12    15     1.09668   109.80564    54.16991
   16    13 S   C    _CD1    16     1.51792   112.23842   174.64412
   17    16 S   O    _OE1    17     1.22727   123.30444     6.19150
   18    16 S   N    _N2_    18     1.38649   111.66414  -173.98151
   19    18 S   H    _HN2    19     1.01591   118.93972     1.87638
   20    18 S   CT1  _CA2    20     1.46191   123.36456   177.85589
   21    20 S   HC   _HA2    21     1.09733   109.42241     1.48583
   22    20 S   C    _C2_    22     1.53541   108.64088  -114.07801
   23    22 S   O    _O2_    23     1.23059   122.24595  -148.34476
   24    20 S   CT   _CB2    32     1.53435   111.48183   123.58300
   25    24 S   HC   HB21    33     1.09323   109.45011    57.22592
   26    24 S   HC   HB22    34     1.09470   109.64585   175.77571
   27    22 S   N    _N3_    24     1.38305   113.70977    39.08869
   28    27 S   H    _HN3    25     1.01594   119.59150    -3.30114
   29    24 S   S    _SG2    35     1.83014   111.19354   -65.21723
   30    27 S   CT   _CA3    26     1.45293   123.21247   177.15862
   31    30 S   HC   HA31    27     1.09549   107.51450   -64.56719
   32    30 S   HC   HA32    28     1.09557   107.98229    51.87411
   33    29 S   CT   _C16    36     1.87507   102.81806   163.20631
   34    30 S   CO3  _C3_    29     1.52960   114.06775   173.87366
   35    34 S   O2Z  _O31    30     1.26376   116.05421    -0.45542
   36    34 S   O2Z  _O32    31     1.26425   114.42079   179.59846
   37    33 S   CT   _C15    37     1.53526   109.81075   -69.12140
   38    37 S   HC   _H9_    38     1.09358   112.56879    55.03985
   39    37 S   HC   _H10    39     1.09570   111.87334   -64.91087
   40    33 S   CT   _C17    79     1.55783   110.06570    51.74105
   41    40 S   HC   _H3_    80     1.09455   110.46090   -55.06635
   42    33 S   OS   _O39    85     1.44463   108.72894   167.61710
   43    37 S   CO4  _C14    40     1.52098   110.84084   174.48051
   44    43 S   O    _O35    41     1.23308   119.37424   127.95986
   45    40 S   OH   _O38    81     1.43436   109.93365    62.47276
   46    45 S   HO   _H12    82     0.97304   107.31623   -46.15811
   47    42 S   CT   _C20    86     1.41937   117.87126    73.44577
   48    47 S   HC   _H13    87     1.09383   107.82021  -168.10741
   49    47 S   HC   _H14    88     1.09294   110.66628    74.61891
   50    47 S   HC   _H15    89     1.09278   112.24254   -49.15088
   51    43 S   CT   _C13    42     1.54064   116.02928   -55.55770
   52    51 S   OM   _O40    43     1.32179   109.47357   177.08402
   53    51 S   CO4  _C12    44     1.53393   111.34092   -68.57857
   54    53 S   O    _O34    45     1.23094   121.72251   -21.08915
   55    53 S   CA   _C10    46     1.49726   119.11621   159.34737
   56    55 S   CA   _C9_    47     1.39081   119.47880   -11.63638
   57    55 S   CA   _C11    57     1.41446   121.70994   167.82591
   58    56 S   CA   _C8_    48     1.39709   119.83398   178.91773
   59    58 S   HA   _H7_    49     1.09019   119.15083  -179.93147
   60    57 S   OH   _O33    58     1.37569   119.79968    -0.31714
   61    60 S   HO   _H8_    59     0.97297   109.90623     0.57743
   62    56 S   CO4  _C19    76     1.48331   121.90040    -1.55872
   63    62 S   O    _O36    77     1.22925   119.77384   168.16349
   64    58 S   CA   _C7_    50     1.40290   121.75650     0.58584
   65    51 S   CT   _C18    78     1.54524   108.95302    53.93642
   66    64 S   CA   _C21    51     1.40539   117.99341   179.88465
   67    66 S   HA   _H16    52     1.08794   118.27709     0.03426
   68    65 S   OH   _O37    83     1.43308   110.51292    69.08924
   69    68 S   HO   _H11    84     0.97353   107.02545  -172.46402
   70    66 S   CA   _C22    53     1.39066   121.64157   179.88131
   71    70 S   CA   _C23    54     1.39805   118.21862     0.08156
   72    70 S   OS   _O43    71     1.37043   124.99639  -179.77100
   73    71 S   CA   _C5_    55     1.41612   122.11323     0.51813
   74    71 S   CO4  _C24    64     1.47181   117.27548   179.73607
   75    74 S   O    _O41    65     1.21816   123.92222   -87.35676
   76    72 S   CT   _C26    72     1.42228   117.55289    -0.44762
   77    76 S   HC   _H20    73     1.09428   107.73030  -179.75934
   78    76 S   HC   _H21    74     1.09492   111.12619    62.53986
   79    76 S   HC   _H22    75     1.09494   111.14492   -62.04568
   80    64 S   CA   _C6_    56     1.41938   120.73065    -0.04846
   81    73 S   CT   _C4_    60     1.51307   119.37440   179.05436
   82    81 S   HC   _H4_    61     1.09477   110.21119  -121.17034
   83    81 S   HC   _H5_    62     1.09296   113.61227    -2.64812
   84    81 S   HC   _H6_    63     1.09466   110.16777   116.53103
   85    74 S   OS   _O42    66     1.35589   107.33136    92.61469
   86    85 S   CT   _C25    67     1.42982   114.78258  -179.82529
   87    86 S   HC   _H17    68     1.09329   108.13078   179.87805
   88    86 S   HC   _H18    69     1.09432   110.30389    61.15364
   89    86 S   HC   _H19    70     1.09432   110.28308   -61.41309
  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  11   5   4   3
  18   2   1   1  13   6   5  15   7   7   9   4   5   1   3   2
   1   1  11   6  10   4  12  11  10  10   4   4   1   5   2   8
   2   8   4   1   1  12  12   6   8   8   2   3   2   1   1   4
   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    65    40    41    45    42    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    51    62    65    40    41    45    46    68    42    47    48    49    50  
   35    36  
   36  
    0  
   38    39    43    44    51    52    53    65    40    41    45    42    47  
   39    43    44    51    40    42  
   43    44    51    40    42  
   41    45    46    68    69    42    47    43    51    52    53    56    62    63    65  
   45    46    68    42    51    62    65  
   47    48    49    50    43    45    65  
   44    51    52    53    54    55    62    65    68  
   51    52    53    65  
   46    68    51    62    65  
   65  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    62    63    65    68    69  
   53    54    55    62    65    68  
   54    55    56    58    80    57    60    62    65    68  
   55    56    57    65  
   56    58    59    64    73    80    57    60    61    62    63    65  
   58    59    64    66    80    57    60    62    63    65    68  
   60    61    81    62    58    64    66    71    73    80  
   59    64    66    67    70    73    80    62    63    65  
   64    66    80    62  
   61    64    73    80  
   80  
   63    65    68    69    64  
   65    68  
   66    67    70    71    73    80    81    72  
   68    69  
   67    70    71    73    80    74    72    76  
   70    71    80    72  
   69  
    0  
   71    73    80    81    74    75    85    72    76    77    78    79  
   73    80    81    82    83    84    74    75    85    86    72    76  
   76    77    78    79    73    74  
   80    81    82    83    84    74    75    85  
   75    85    86    87    88    89    80    81  
   85    86  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.1200   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   53   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660  -0.065000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    51   317.000  1.522
   51    52   570.000  1.307
   51    53   317.000  1.522
   51    65   268.000  1.529
   53    54   570.000  1.229
   53    55   310.000  1.470
   55    56   469.000  1.400
   55    57   469.000  1.400
   56    58   469.000  1.400
   56    62   310.000  1.470
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    66   469.000  1.400
   64    80   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   469.000  1.400
   70    72   450.000  1.364
   71    73   469.000  1.400
   71    74   310.000  1.470
   73    80   469.000  1.400
   73    81   317.000  1.510
   80    57   469.000  1.400
   57    60   450.000  1.364
   60    61   553.000  0.945
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   74    75   570.000  1.229
   74    85   214.000  1.327
   85    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   72    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    40   268.000  1.529
   65    68   320.000  1.410
   40    41   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
   68    69   553.000  0.945
   42    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    40    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    45    50.00000  109.50000
   33    42    47    60.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    51    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    51    52    90.00000  108.74100
   43    51    53    75.00000  107.99600
   43    51    65    63.00000  111.10000
   51    43    44    80.00000  120.40000
   51    53    54    80.00000  120.40000
   51    53    55    65.00000  115.47100
   51    65    62    63.00000  111.10000
   51    65    40    58.35000  112.70000
   51    65    68    50.00000  109.50000
   53    51    52    90.00000  108.74100
   53    55    56    60.00000  119.52600
   53    55    57    60.00000  119.52600
   55    53    54    75.00000  123.78400
   55    56    58    63.00000  120.00000
   55    56    62    60.00000  119.52600
   55    57    80    63.00000  120.00000
   55    57    60    70.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    64    63.00000  120.00000
   56    62    63    75.00000  123.78400
   56    62    65    65.00000  115.47100
   58    64    66    63.00000  120.00000
   58    64    80    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    70    63.00000  120.00000
   64    80    73    63.00000  120.00000
   64    80    57    63.00000  120.00000
   66    70    71    63.00000  120.00000
   66    70    72    70.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    71    74    60.00000  119.52600
   70    72    76    75.00000  111.00000
   71    73    80    63.00000  120.00000
   71    73    81    70.00000  120.00000
   71    74    75    75.00000  123.78400
   71    74    85    81.00000  111.40000
   73    80    57    63.00000  120.00000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    84    35.00000  109.50000
   80    64    66    63.00000  120.00000
   80    57    60    70.00000  120.00000
   57    55    56    63.00000  120.00000
   57    60    61    35.00000  113.00000
   81    73    80    70.00000  120.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   74    71    73    60.00000  119.52600
   74    85    86    83.00000  116.90000
   85    74    75    83.00000  123.40000
   85    86    87    35.00000  109.50000
   85    86    88    35.00000  109.50000
   85    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   72    70    71    70.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   62    56    58    60.00000  119.52600
   62    65    40    63.00000  111.10000
   62    65    68    90.00000  109.61100
   65    51    52    50.00000  109.50000
   65    51    53    63.00000  111.10000
   65    62    63    80.00000  120.40000
   65    40    41    37.50000  110.70000
   65    40    45    50.00000  109.50000
   65    68    69    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    45    46    55.00000  108.50000
   45    40    41    35.00000  109.50000
   68    65    40    50.00000  109.50000
   42    33    37    50.00000  109.50000
   42    33    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   29    33    42    47   0.14700  1.0 1.0
   29    33    42    47  -1.16150 -1.0 2.0
   29    33    42    47   0.48700  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    51   0.60050  1.0 1.0
   33    37    43    51   0.05600 -1.0 2.0
   33    37    43    51   0.26150  1.0 3.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   33    42    47    48   0.37050  1.0 3.0
   33    42    47    49   0.37050  1.0 3.0
   33    42    47    50   0.37050  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    45   0.86500  1.0 1.0
   37    33    40    45  -0.17500 -1.0 2.0
   37    33    40    45   0.20800  1.0 3.0
   37    33    42    47   0.06250  1.0 1.0
   37    33    42    47  -0.01100 -1.0 2.0
   37    33    42    47   0.28050  1.0 3.0
   37    43    51    52   0.55300  1.0 1.0
   37    43    51    52   1.25850 -1.0 2.0
   37    43    51    52  -0.23600  1.0 3.0
   37    43    51    53   0.65300  1.0 1.0
   37    43    51    53  -0.03850 -1.0 2.0
   37    43    51    53   0.33900  1.0 3.0
   37    43   -51    65   0.60050  1.0 1.0
   37    43   -51    65   0.05600 -1.0 2.0
   37    43   -51    65   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    51   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    51   0.00000  1.0 1.0
   43    51    53    54   0.30150 -1.0 2.0
   43    51    53    55   0.65300  1.0 1.0
   43    51    53    55  -0.03850 -1.0 2.0
   43    51    53    55   0.33900  1.0 3.0
   43    51    65    62   0.11950  1.0 1.0
   43    51    65    62   0.20300 -1.0 2.0
   43    51    65    62  -0.70800  1.0 3.0
   43    51    65    40  -0.95700  1.0 1.0
   43    51    65    40  -0.18200 -1.0 2.0
   43    51    65    40   0.29450  1.0 3.0
   43    51    65    68  -0.09450  1.0 1.0
   43    51    65    68  -1.12950 -1.0 2.0
   43    51    65    68   0.54000  1.0 3.0
   44    43    51    52   0.30150 -1.0 2.0
   44    43    51    53   0.30150 -1.0 2.0
   44    43    51    65   0.30150 -1.0 2.0
   51    53    55    56   2.26350  1.0 1.0
   51    53    55    56   0.76750 -1.0 2.0
   51    53    55    56   0.22500  1.0 3.0
   51    53    55    57   2.26350  1.0 1.0
   51    53    55    57   0.76750 -1.0 2.0
   51    53    55    57   0.22500  1.0 3.0
   51    65   -40    33   0.56750  1.0 1.0
   51    65   -40    33  -0.07550 -1.0 2.0
   51    65   -40    33   0.20000  1.0 3.0
   51    65    40    41   0.15000  1.0 3.0
   51    65    40    45   0.86500  1.0 1.0
   51    65    40    45  -0.17500 -1.0 2.0
   51    65    40    45   0.20800  1.0 3.0
   51    65    68    69  -0.11600  1.0 1.0
   51    65    68    69  -0.09450 -1.0 2.0
   51    65    68    69   0.21250  1.0 3.0
   52    51    53    54   0.30150 -1.0 2.0
   52    51    53    55   0.65300  1.0 1.0
   52    51    53    55  -0.03850 -1.0 2.0
   52    51    53    55   0.33900  1.0 3.0
   52    51    65    62  -0.09450  1.0 1.0
   52    51    65    62  -1.12950 -1.0 2.0
   52    51    65    62   0.54000  1.0 3.0
   52    51    65    40   0.62750  1.0 1.0
   52    51    65    40  -0.30950 -1.0 2.0
   52    51    65    40   0.27300  1.0 3.0
   52    51    65    68   3.69350  1.0 1.0
   52    51    65    68  -1.82950 -1.0 2.0
   53    51    65    62   0.11950  1.0 1.0
   53    51    65    62   0.20300 -1.0 2.0
   53    51    65    62  -0.70800  1.0 3.0
   53    51    65    40  -0.95700  1.0 1.0
   53    51    65    40  -0.18200 -1.0 2.0
   53    51    65    40   0.29450  1.0 3.0
   53    51    65    68  -0.09450  1.0 1.0
   53    51    65    68  -1.12950 -1.0 2.0
   53    51    65    68   0.54000  1.0 3.0
   53    55    56    58   3.62500 -1.0 2.0
   53    55   -56    62   3.62500 -1.0 2.0
   53    55    57    80   3.62500 -1.0 2.0
   53    55    57    60   3.62500 -1.0 2.0
   54    53    55    56   1.05000 -1.0 2.0
   54    53    55    57   1.05000 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    64   3.62500 -1.0 2.0
   55    56    62    63   1.05000 -1.0 2.0
   55    56    62    65   2.26350  1.0 1.0
   55    56    62    65   0.76750 -1.0 2.0
   55    56    62    65   0.22500  1.0 3.0
   55    57    60    61   0.84100 -1.0 2.0
   56    55    57    80   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   56    58    64    66   3.62500 -1.0 2.0
   56    58   -64    80   3.62500 -1.0 2.0
   56    62   -65    51   0.05850 -1.0 2.0
   56    62   -65    51   0.17250  1.0 3.0
   56    62    65    40   0.05850 -1.0 2.0
   56    62    65    40   0.17250  1.0 3.0
   56    62    65    68   0.65300  1.0 1.0
   56    62    65    68  -0.03850 -1.0 2.0
   56    62    65    68   0.33900  1.0 3.0
   58    56    62    63   1.05000 -1.0 2.0
   58    56    62    65   2.26350  1.0 1.0
   58    56    62    65   0.76750 -1.0 2.0
   58    56    62    65   0.22500  1.0 3.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    70   3.62500 -1.0 2.0
   58    64    80    73   3.62500 -1.0 2.0
   58    64    80    57   3.62500 -1.0 2.0
   59    58    64    66   3.62500 -1.0 2.0
   59    58    64    80   3.62500 -1.0 2.0
   64    66    70    71   3.62500 -1.0 2.0
   64    66    70    72   3.62500 -1.0 2.0
   64    80   -57    55   3.62500 -1.0 2.0
   64    80    57    60   3.62500 -1.0 2.0
   66    64    80    73   3.62500 -1.0 2.0
   66    64    80    57   3.62500 -1.0 2.0
   66    70   -71    73   3.62500 -1.0 2.0
   66    70    71    74   3.62500 -1.0 2.0
   66    70    72    76   1.63200 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    72   3.62500 -1.0 2.0
   70    71    73    80   3.62500 -1.0 2.0
   70    71    73    81   3.62500 -1.0 2.0
   70    71    74    75   1.05000 -1.0 2.0
   70    71    74    85   0.98750 -1.0 2.0
   70    72    76    77   0.08050  1.0 3.0
   70    72    76    78   0.08050  1.0 3.0
   70    72    76    79   0.08050  1.0 3.0
   71    70    72    76   1.63200 -1.0 2.0
   71    73   -80    64   3.62500 -1.0 2.0
   71    73    80    57   3.62500 -1.0 2.0
   71    73    81    82   0.00000  1.0 1.0
   71    73    81    83   0.00000  1.0 1.0
   71    73    81    84   0.00000  1.0 1.0
   71    74    85    86   0.59950  1.0 1.0
   71    74    85    86   3.24850 -1.0 2.0
   73    71    74    75   1.05000 -1.0 2.0
   73    71    74    85   0.98750 -1.0 2.0
   73    80    57    55   3.62500 -1.0 2.0
   73    80    57    60   3.62500 -1.0 2.0
   80    64    66    67   3.62500 -1.0 2.0
   80    64   -66    70   3.62500 -1.0 2.0
   80    73    81    82   0.00000  1.0 1.0
   80    73    81    83   0.00000  1.0 1.0
   80    73    81    84   0.00000  1.0 1.0
   80    57    60    61   0.84100 -1.0 2.0
   57    55   -56    58   3.62500 -1.0 2.0
   57    55    56    62   3.62500 -1.0 2.0
   81    73    80    64   3.62500 -1.0 2.0
   81    73    80    57   3.62500 -1.0 2.0
   74    71    73    80   3.62500 -1.0 2.0
   74    71    73    81   3.62500 -1.0 2.0
   74    85    86    87   0.08050  1.0 3.0
   74    85    86    88   0.08050  1.0 3.0
   74    85    86    89   0.08050  1.0 3.0
   75    74    85    86   3.00000 -1.0 2.0
   72    70    71    73   3.62500 -1.0 2.0
   72    70    71    74   3.62500 -1.0 2.0
   62    56    58    59   3.62500 -1.0 2.0
   62    56    58    64   3.62500 -1.0 2.0
   62    65    40    33  -0.95700  1.0 1.0
   62    65    40    33  -0.18200 -1.0 2.0
   62    65    40    33   0.29450  1.0 3.0
   62    65    40    41  -0.11250  1.0 3.0
   62    65    40    45  -0.09450  1.0 1.0
   62    65    40    45  -1.12950 -1.0 2.0
   62    65    40    45   0.54000  1.0 3.0
   62    65    68    69   0.91850  1.0 1.0
   62    65    68    69   0.57950  1.0 3.0
   63    62    65    51   0.30150 -1.0 2.0
   63    62    65    40   0.30150 -1.0 2.0
   63    62    65    68   0.30150 -1.0 2.0
   65    51    53    54   0.30150 -1.0 2.0
   65    51   -53    55   0.05850 -1.0 2.0
   65    51   -53    55   0.17250  1.0 3.0
   65    40    45    46  -0.11600  1.0 1.0
   65    40    45    46  -0.09450 -1.0 2.0
   65    40    45    46   0.21250  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    43  -0.95700  1.0 1.0
   40    33   -37    43  -0.18200 -1.0 2.0
   40    33   -37    43   0.29450  1.0 3.0
   40    33    42    47   0.06250  1.0 1.0
   40    33    42    47  -0.01100 -1.0 2.0
   40    33    42    47   0.28050  1.0 3.0
   40    65    68    69  -0.11600  1.0 1.0
   40    65    68    69  -0.09450 -1.0 2.0
   40    65    68    69   0.21250  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   68    65    40    33   0.86500  1.0 1.0
   68    65    40    33  -0.17500 -1.0 2.0
   68    65    40    33   0.20800  1.0 3.0
   68    65    40    41   0.23400  1.0 3.0
   68    65    40    45   3.75450  1.0 1.0
   42    33    37    38   0.23400  1.0 3.0
   42    33    37    39   0.23400  1.0 3.0
   42    33    37    43  -0.09450  1.0 1.0
   42    33    37    43  -1.12950 -1.0 2.0
   42    33    37    43   0.54000  1.0 3.0
   42    33    40    65   0.62750  1.0 1.0
   42    33    40    65  -0.30950 -1.0 2.0
   42    33    40    65   0.27300  1.0 3.0
   42    33    40    41   0.23400  1.0 3.0
   42    33    40    45   3.69350  1.0 1.0
   42    33    40    45  -1.82950 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    51    43    44  10.50000 -1.0 2.0
   51    55    53    54  10.50000 -1.0 2.0
   56    57    55    53   4.00000 -1.0 2.0
   58    62    56    55   4.00000 -1.0 2.0
   64    59    58    56   1.10000 -1.0 2.0
   66    80    64    58   4.00000 -1.0 2.0
   70    67    66    64   1.10000 -1.0 2.0
   71    72    70    66   4.00000 -1.0 2.0
   73    74    71    70   4.00000 -1.0 2.0
   80    81    73    71   4.00000 -1.0 2.0
   73    57    80    64   4.00000 -1.0 2.0
   80    60    57    55   4.00000 -1.0 2.0
   71    85    74    75  10.50000 -1.0 2.0
   56    65    62    63  10.50000 -1.0 2.0
END
