* LIGAND DATABASE FILE (OPLS2005)
*
001      90    92    167    257     492
    1     0 S   NP   _N1_     1    28.80651    92.42761   -24.31845
    2     1 S   H    _HN1     2     1.02952    94.99492    16.26584
    3     1 S   H    _H1_     3     1.02829    14.04973   166.01202
    4     1 S   H    _H2_     4     1.02778   106.08289   -94.48234
    5     1 S   CT   _CA1     5     1.50119   122.94973   134.51960
    6     5 S   HC   _HA1     6     1.09563   105.24256    67.02672
    7     5 S   CO3  _C1_     7     1.53832   112.39425   -53.33860
    8     7 S   O2Z  _O11     8     1.26384   114.98751   -42.06133
    9     7 S   O2Z  _O12     9     1.26230   114.99564   137.13313
   10     5 S   CT   _CB1    10     1.53091   107.43754  -174.83449
   11    10 S   HC   HB11    11     1.09824   109.57246   -48.26887
   12    10 S   HC   HB12    12     1.09820   110.35381    68.40457
   13    10 S   CT   _CG1    13     1.52967   112.56214  -169.22782
   14    13 S   HC   HG11    14     1.09547   110.55184   -61.56729
   15    13 S   HC   HG12    15     1.09655   109.93385    57.61257
   16    13 S   C    _CD1    16     1.51784   112.30079   178.05509
   17    16 S   O    _OE1    17     1.22724   123.32406    -0.75199
   18    16 S   N    _N2_    18     1.38603   111.58009   179.16866
   19    18 S   H    _HN2    19     1.01598   118.97725     1.81779
   20    18 S   CT1  _CA2    20     1.46199   123.43210  -179.62727
   21    20 S   HC   _HA2    21     1.09721   109.43833    -6.15731
   22    20 S   C    _C2_    22     1.53409   108.55018  -121.94081
   23    22 S   O    _O2_    23     1.23048   122.32048  -148.02768
   24    20 S   CT   _CB2    32     1.53340   111.35809   115.91588
   25    24 S   HC   HB21    33     1.09376   109.19278    56.00369
   26    24 S   HC   HB22    34     1.09496   110.38495   175.13844
   27    22 S   N    _N3_    24     1.38338   113.54299    39.40503
   28    27 S   H    _HN3    25     1.01634   119.51498    -3.63567
   29    24 S   S    _SG2    35     1.82584   111.62588   -64.50092
   30    27 S   CT   _CA3    26     1.45285   123.10892   177.05417
   31    30 S   HC   HA31    27     1.09552   107.52769   -63.85961
   32    30 S   HC   HA32    28     1.09560   107.94328    52.54300
   33    29 S   CT   _C14    36     1.83697   100.43476  -175.09276
   34    33 S   HC   _H7_    37     1.09774   104.77295    57.13255
   35    30 S   CO3  _C3_    29     1.52932   114.14466   174.53051
   36    35 S   O2Z  _O31    30     1.26366   116.06475    -0.60781
   37    35 S   O2Z  _O32    31     1.26430   114.41068   179.44893
   38    33 S   CT   _C15    38     1.54962   112.40742   -61.32941
   39    38 S   HC   _H8_    39     1.09534   111.20377   -26.02556
   40    33 S   CT   _C13    52     1.56564   115.62944   177.16441
   41    38 S   CT   _C8_    40     1.53483   104.19229  -146.47394
   42    41 S   HC   _H4_    41     1.09976   108.21741   -77.49280
   43    40 S   CT   _C23    53     1.53564   118.26263   -12.74896
   44    43 S   HC   _H26    54     1.09254   112.83805    59.05123
   45    43 S   HC   _H27    55     1.09555   110.73040   -63.08598
   46    40 S   OH   _O40    58     1.45076   105.44193  -130.76304
   47    46 S   HO   _H29    59     0.97267   107.93275    69.73145
   48    38 S   OS   _O36    76     1.44070   109.06178    96.13590
   49    41 S   CT   _C7_    42     1.52509   115.95900   162.43580
   50    49 S   HC   _H14    43     1.09504   111.63777    51.48347
   51    49 S   HC   _H15    44     1.09912   107.83094   166.86034
   52    43 S   OH   _O39    56     1.42658   109.86697   178.86306
   53    52 S   HO   _H28    57     0.97252   107.03285   178.69164
   54    48 S   CO4  _C16    77     1.35600   117.91754  -146.92382
   55    54 S   O    _O37    78     1.22050   126.79464    -1.95154
   56    49 S   CO   _C6_    45     1.52487   112.83981   -73.86651
   57    56 S   HC   _H3_    46     1.09671   110.34877    67.34493
   58    54 S   CA   _C17    79     1.48299   109.94522   178.23364
   59    56 S   OS   _O34    47     1.42928   109.30023   -54.24602
   60    56 S   OS   _O33    68     1.43245   107.15168  -174.88017
   61    58 S   CA   _C18    80     1.40147   118.17294   167.04675
   62    61 S   HA   _H21    81     1.08737   120.96708    -0.72253
   63    59 S   CO   _C10    48     1.43235   112.94354    64.70229
   64    63 S   HC   _H6_    49     1.09637   106.50270  -179.46113
   65    60 S   CT   _C5_    69     1.42577   112.22017  -170.95482
   66    65 S   HC   _H12    70     1.09518   110.02528   -60.72970
   67    65 S   HC   _H13    71     1.09550   109.80095    59.42746
   68    61 S   CA   _C19    82     1.39613   120.23322   179.46259
   69    68 S   HA   _H22    83     1.08612   119.48040   179.85065
   70    41 S   CT   _C9_    50     1.53748   103.46197    39.04895
   71    70 S   HC   _H5_    51     1.09933   106.85002  -159.64186
   72    63 S   OS   _O35    60     1.42745   112.49105    62.24723
   73    65 S   CT   _C4_    72     1.51578   108.33634   179.31244
   74    73 S   HC   _H9_    73     1.09504   110.61707   -59.05692
   75    73 S   HC   _H10    74     1.09503   110.61182    59.21402
   76    73 S   HC   _H11    75     1.09357   110.90735  -179.92338
   77    68 S   CA   _C20    84     1.39267   119.54817    -0.20174
   78    72 S   CT   _C11    61     1.42520   112.90329    67.88485
   79    78 S   HC   _H16    62     1.09501   110.07737   -59.91773
   80    78 S   HC   _H17    63     1.09531   109.78512    60.32226
   81    77 S   CA   _C21    85     1.39196   120.77596    -0.05935
   82    81 S   HA   _H23    86     1.08648   120.42510  -179.71676
   83    77 S   OH   _O38    89     1.36611   121.06102  -179.95577
   84    83 S   HO   _H25    90     0.97242   108.61450     0.09487
   85    78 S   CT   _C12    64     1.51568   108.23603  -179.80517
   86    85 S   HC   _H18    65     1.09497   110.66949   -60.17640
   87    85 S   HC   _H19    66     1.09505   110.64733    58.16247
   88    85 S   HC   _H20    67     1.09326   110.82490   179.04776
   89    58 S   CA   _C22    87     1.40151   122.17450   -13.92741
   90    89 S   HA   _H24    88     1.08663   121.59499     0.10468
  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
  18   8   2   1   1  17   7  17  17   8   9   5   4   5   1   7
  10   6   5   2   1   8   3  11   4   9   8   8   8   4   8   4
   6   5   4   7   3   3   1   7   3   2   1   1   6   6   5   4
   5   3   2   1   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    70    40    43    46    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    63    70    71    40    43    44    45    52    46    47    48    54  
   38    39    41    70    40    43    46    48  
   36    37  
   37  
    0  
   39    41    42    49    50    51    56    63    70    71    40    43    46    48    54    55    58  
   41    42    49    70    40    48    54  
   43    44    45    52    53    46    47    72    48    41    42    49    59    63    64    70    71  
   42    49    50    51    56    57    59    63    64    70    71    43    46    72    60    48    54  
   49    50    51    56    63    70    71    48  
   44    45    52    53    46    47    63    70    71  
   45    52    53    46    70  
   52    53    46    70  
   47    52    63    70    71  
   70  
   54    55    58    61    89    49    70  
   50    51    56    57    59    63    70    71    60    65  
   51    56    57    59    70    60  
   56    57    59    70    60  
   53    70  
    0  
   55    58    61    62    68    81    89    90  
   58    61    89  
   57    59    63    64    70    72    60    65    66    67    73  
   59    63    60    65  
   61    62    68    69    77    81    82    89    90  
   63    64    70    71    72    78    60    65  
   65    66    67    73    74    75    76    63  
   62    68    69    77    81    89    90    83  
   68    69    77    89  
   64    70    71    72    78    79    80    85  
   70    71    72    78  
   66    67    73    74    75    76  
   67    73    74    75    76  
   73    74    75    76  
   69    77    81    82    89    83    84  
   77    81    83  
   71    72    78  
   72  
   78    79    80    85    86    87    88  
   74    75    76  
   75    76  
   76  
    0  
   81    82    89    90    83    84  
   79    80    85    86    87    88  
   80    85    86    87    88  
   85    86    87    88  
   82    89    90    83    84  
   89    90    83  
   84    89  
    0  
   86    87    88  
   87    88  
   88  
    0  
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    48   320.000  1.410
   41    42   340.000  1.090
   41    49   268.000  1.529
   41    70   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   250.000  1.527
   56    57   340.000  1.090
   56    59   320.000  1.380
   56    60   320.000  1.380
   59    63   320.000  1.380
   63    64   340.000  1.090
   63    70   250.000  1.527
   63    72   320.000  1.380
   70    71   340.000  1.090
   70    40   268.000  1.529
   40    43   268.000  1.529
   40    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    52   320.000  1.410
   52    53   553.000  0.945
   46    47   553.000  0.945
   72    78   320.000  1.410
   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   340.000  1.090
   60    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   48    54   214.000  1.327
   54    55   570.000  1.229
   54    58   310.000  1.470
   58    61   469.000  1.400
   58    89   469.000  1.400
   61    62   367.000  1.080
   61    68   469.000  1.400
   68    69   367.000  1.080
   68    77   469.000  1.400
   77    81   469.000  1.400
   77    83   450.000  1.364
   81    82   367.000  1.080
   81    89   469.000  1.400
   89    90   367.000  1.080
   83    84   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    48    50.00000  109.50000
   33    40    70    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    49    58.35000  112.70000
   38    41    70    58.35000  112.70000
   38    48    54    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    56    75.00000  109.43000
   41    70    63    75.00000  109.43000
   41    70    71    37.50000  110.70000
   41    70    40    58.35000  112.70000
   49    41    42    37.50000  110.70000
   49    56    57    45.00000  112.01100
   49    56    59    90.00000  108.56700
   49    56    60    90.00000  108.56700
   51    49    50    33.00000  107.80000
   56    49    50    45.00000  108.72000
   56    49    51    45.00000  108.72000
   56    59    63   100.00000  109.58800
   56    60    65    60.00000  109.50000
   59    56    57    35.00000  109.50000
   59    63    64    35.00000  109.50000
   59    63    70    90.00000  108.56700
   59    63    72    92.60000  111.55000
   63    70    71    45.00000  108.72000
   63    70    40    75.00000  109.43000
   63    72    78    60.00000  109.50000
   70    41    42    37.50000  110.70000
   70    41    49    58.35000  112.70000
   70    63    64    45.00000  112.01100
   70    40    43    58.35000  112.70000
   70    40    46    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    70    71    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    52    50.00000  109.50000
   40    46    47    55.00000  108.50000
   43    52    53    55.00000  108.50000
   45    43    44    33.00000  107.80000
   52    43    44    35.00000  109.50000
   52    43    45    35.00000  109.50000
   46    40    43    50.00000  109.50000
   72    63    64    35.00000  109.50000
   72    63    70    90.00000  108.56700
   72    78    79    35.00000  109.50000
   72    78    80    35.00000  109.50000
   72    78    85    50.00000  109.50000
   78    85    86    37.50000  110.70000
   78    85    87    37.50000  110.70000
   78    85    88    37.50000  110.70000
   80    78    79    33.00000  107.80000
   85    78    79    37.50000  110.70000
   85    78    80    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   60    56    57    35.00000  109.50000
   60    56    59    92.60000  111.55000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    73    50.00000  109.50000
   65    73    74    37.50000  110.70000
   65    73    75    37.50000  110.70000
   65    73    76    37.50000  110.70000
   67    65    66    33.00000  107.80000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   48    38    39    35.00000  109.50000
   48    38    41    50.00000  109.50000
   48    54    55    83.00000  123.40000
   48    54    58    81.00000  111.40000
   54    58    61    60.00000  119.52600
   54    58    89    60.00000  119.52600
   58    54    55    75.00000  123.78400
   58    61    62    35.00000  120.00000
   58    61    68    63.00000  120.00000
   58    89    81    63.00000  120.00000
   58    89    90    35.00000  120.00000
   61    68    69    35.00000  120.00000
   61    68    77    63.00000  120.00000
   68    61    62    35.00000  120.00000
   68    77    81    63.00000  120.00000
   68    77    83    70.00000  120.00000
   77    68    69    35.00000  120.00000
   77    81    82    35.00000  120.00000
   77    81    89    63.00000  120.00000
   77    83    84    35.00000  113.00000
   81    89    90    35.00000  120.00000
   89    58    61    63.00000  120.00000
   89    81    82    35.00000  120.00000
   83    77    81    70.00000  120.00000
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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    70   0.44750  1.0 1.0
   29    33    40    70  -0.17800 -1.0 2.0
   29    33    40    70   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    49   0.56750  1.0 1.0
   33    38    41    49  -0.07550 -1.0 2.0
   33    38    41    49   0.20000  1.0 3.0
   33    38   -41    70   0.56750  1.0 1.0
   33    38   -41    70  -0.07550 -1.0 2.0
   33    38   -41    70   0.20000  1.0 3.0
   33    38    48    54  -0.25900  1.0 1.0
   33    38    48    54  -0.47000 -1.0 2.0
   33    38    48    54   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    52   0.86500  1.0 1.0
   33    40    43    52  -0.17500 -1.0 2.0
   33    40    43    52   0.20800  1.0 3.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    48   0.23400  1.0 3.0
   34    33    40    70   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    46   0.23400  1.0 3.0
   38    33   -40    70   0.56750  1.0 1.0
   38    33   -40    70  -0.07550 -1.0 2.0
   38    33   -40    70   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    46   0.86500  1.0 1.0
   38    33    40    46  -0.17500 -1.0 2.0
   38    33    40    46   0.20800  1.0 3.0
   38    41    49    50   0.15000  1.0 3.0
   38    41    49    51   0.15000  1.0 3.0
   38    41    49    56   3.97050  1.0 1.0
   38    41    70    63   3.97050  1.0 1.0
   38    41    70    71   0.15000  1.0 3.0
   38    41   -70    40   0.56750  1.0 1.0
   38    41   -70    40  -0.07550 -1.0 2.0
   38    41   -70    40   0.20000  1.0 3.0
   38    48    54    55   3.00000 -1.0 2.0
   38    48    54    58   0.59950  1.0 1.0
   38    48    54    58   3.24850 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    41    70   0.15000  1.0 3.0
   39    38    48    54   0.08050  1.0 3.0
   41    38    48    54  -0.25900  1.0 1.0
   41    38    48    54  -0.47000 -1.0 2.0
   41    38    48    54   0.11750  1.0 3.0
   41    49    56    57   0.15000  1.0 3.0
   41    49    56    59   0.62750  1.0 1.0
   41    49    56    59  -0.30950 -1.0 2.0
   41    49    56    59   0.27300  1.0 3.0
   41    49    56    60   0.62750  1.0 1.0
   41    49    56    60  -0.30950 -1.0 2.0
   41    49    56    60   0.27300  1.0 3.0
   41    70   -40    33   0.56750  1.0 1.0
   41    70   -40    33  -0.07550 -1.0 2.0
   41    70   -40    33   0.20000  1.0 3.0
   41    70    40    43   0.56750  1.0 1.0
   41    70    40    43  -0.07550 -1.0 2.0
   41    70    40    43   0.20000  1.0 3.0
   41    70    40    46   0.86500  1.0 1.0
   41    70    40    46  -0.17500 -1.0 2.0
   41    70    40    46   0.20800  1.0 3.0
   42    41    49    50   0.15000  1.0 3.0
   42    41    49    51   0.15000  1.0 3.0
   42    41    49    56   0.15000  1.0 3.0
   42    41    70    63   0.15000  1.0 3.0
   42    41    70    71   0.15000  1.0 3.0
   42    41    70    40   0.15000  1.0 3.0
   49    41    70    63   3.97050  1.0 1.0
   49    41    70    71   0.15000  1.0 3.0
   49    41    70    40   0.56750  1.0 1.0
   49    41    70    40  -0.07550 -1.0 2.0
   49    41    70    40   0.20000  1.0 3.0
   49    56   -59    63   0.06250  1.0 1.0
   49    56   -59    63  -0.01100 -1.0 2.0
   49    56   -59    63   0.28050  1.0 3.0
   49    56    60    65   0.06250  1.0 1.0
   49    56    60    65  -0.01100 -1.0 2.0
   49    56    60    65   0.28050  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    59   0.23400  1.0 3.0
   50    49    56    60   0.23400  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    59   0.23400  1.0 3.0
   51    49    56    60   0.23400  1.0 3.0
   56    59    63    64   0.37050  1.0 3.0
   56    59    63    70   0.06250  1.0 1.0
   56    59    63    70  -0.01100 -1.0 2.0
   56    59    63    70   0.28050  1.0 3.0
   56    59    63    72  -0.81800  1.0 1.0
   56    60    65    66   0.37050  1.0 3.0
   56    60    65    67   0.37050  1.0 3.0
   56    60    65    73   0.06250  1.0 1.0
   56    60    65    73  -0.01100 -1.0 2.0
   56    60    65    73   0.28050  1.0 3.0
   57    56    59    63   0.37050  1.0 3.0
   57    56    60    65   0.37050  1.0 3.0
   59    56    60    65  -0.53350  1.0 1.0
   59    56    60    65  -0.78350 -1.0 2.0
   59    56    60    65   0.33750  1.0 3.0
   59    63   -70    41   0.62750  1.0 1.0
   59    63   -70    41  -0.30950 -1.0 2.0
   59    63   -70    41   0.27300  1.0 3.0
   59    63    70    71   0.23400  1.0 3.0
   59    63    70    40   0.62750  1.0 1.0
   59    63    70    40  -0.30950 -1.0 2.0
   59    63    70    40   0.27300  1.0 3.0
   59    63    72    78  -0.53350  1.0 1.0
   59    63    72    78  -0.78350 -1.0 2.0
   59    63    72    78   0.33750  1.0 3.0
   63    70    40    33   3.97050  1.0 1.0
   63    70    40    43   3.97050  1.0 1.0
   63    70    40    46   0.86500  1.0 1.0
   63    70    40    46  -0.17500 -1.0 2.0
   63    70    40    46   0.20800  1.0 3.0
   63    72    78    79   0.37050  1.0 3.0
   63    72    78    80   0.37050  1.0 3.0
   63    72    78    85   0.06250  1.0 1.0
   63    72    78    85  -0.01100 -1.0 2.0
   63    72    78    85   0.28050  1.0 3.0
   64    63    70    41   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    40   0.15000  1.0 3.0
   64    63    72    78   0.37050  1.0 3.0
   70    41    49    50   0.15000  1.0 3.0
   70    41    49    51   0.15000  1.0 3.0
   70    41   -49    56   3.97050  1.0 1.0
   70    63    72    78   0.06250  1.0 1.0
   70    63    72    78  -0.01100 -1.0 2.0
   70    63    72    78   0.28050  1.0 3.0
   70    40    43    44   0.15000  1.0 3.0
   70    40    43    45   0.15000  1.0 3.0
   70    40    43    52   0.86500  1.0 1.0
   70    40    43    52  -0.17500 -1.0 2.0
   70    40    43    52   0.20800  1.0 3.0
   70    40    46    47  -0.11600  1.0 1.0
   70    40    46    47  -0.09450 -1.0 2.0
   70    40    46    47   0.21250  1.0 3.0
   71    70    40    33   0.15000  1.0 3.0
   71    70    40    43   0.15000  1.0 3.0
   71    70    40    46   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41   0.56750  1.0 1.0
   40    33   -38    41  -0.07550 -1.0 2.0
   40    33   -38    41   0.20000  1.0 3.0
   40    33    38    48   0.62750  1.0 1.0
   40    33    38    48  -0.30950 -1.0 2.0
   40    33    38    48   0.27300  1.0 3.0
   40    43    52    53  -0.11600  1.0 1.0
   40    43    52    53  -0.09450 -1.0 2.0
   40    43    52    53   0.21250  1.0 3.0
   43    40    46    47  -0.11600  1.0 1.0
   43    40    46    47  -0.09450 -1.0 2.0
   43    40    46    47   0.21250  1.0 3.0
   44    43    52    53   0.19450  1.0 3.0
   45    43    52    53   0.19450  1.0 3.0
   46    40    43    44   0.23400  1.0 3.0
   46    40    43    45   0.23400  1.0 3.0
   46    40    43    52   3.75450  1.0 1.0
   72    63    70    41   0.62750  1.0 1.0
   72    63    70    41  -0.30950 -1.0 2.0
   72    63    70    41   0.27300  1.0 3.0
   72    63    70    71   0.23400  1.0 3.0
   72    63    70    40   0.62750  1.0 1.0
   72    63    70    40  -0.30950 -1.0 2.0
   72    63    70    40   0.27300  1.0 3.0
   72    78    85    86   0.23400  1.0 3.0
   72    78    85    87   0.23400  1.0 3.0
   72    78    85    88   0.23400  1.0 3.0
   79    78    85    86   0.15000  1.0 3.0
   79    78    85    87   0.15000  1.0 3.0
   79    78    85    88   0.15000  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   0.15000  1.0 3.0
   60    56    59    63  -0.81800  1.0 1.0
   60    65    73    74   0.23400  1.0 3.0
   60    65    73    75   0.23400  1.0 3.0
   60    65    73    76   0.23400  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.15000  1.0 3.0
   66    65    73    76   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    75   0.15000  1.0 3.0
   67    65    73    76   0.15000  1.0 3.0
   48    38    41    42   0.23400  1.0 3.0
   48    38    41    49   0.62750  1.0 1.0
   48    38    41    49  -0.30950 -1.0 2.0
   48    38    41    49   0.27300  1.0 3.0
   48    38    41    70   0.62750  1.0 1.0
   48    38    41    70  -0.30950 -1.0 2.0
   48    38    41    70   0.27300  1.0 3.0
   48    54    58    61   0.98750 -1.0 2.0
   48    54    58    89   0.98750 -1.0 2.0
   54    58    61    62   3.62500 -1.0 2.0
   54    58    61    68   3.62500 -1.0 2.0
   54    58    89    81   3.62500 -1.0 2.0
   54    58    89    90   3.62500 -1.0 2.0
   55    54    58    61   1.05000 -1.0 2.0
   55    54    58    89   1.05000 -1.0 2.0
   58    61    68    69   3.62500 -1.0 2.0
   58    61    68    77   3.62500 -1.0 2.0
   61    58    89    81   3.62500 -1.0 2.0
   61    58    89    90   3.62500 -1.0 2.0
   61    68   -77    81   3.62500 -1.0 2.0
   61    68    77    83   3.62500 -1.0 2.0
   62    61    68    69   3.62500 -1.0 2.0
   62    61    68    77   3.62500 -1.0 2.0
   68    77    81    82   3.62500 -1.0 2.0
   68    77    81    89   3.62500 -1.0 2.0
   68    77    83    84   0.84100 -1.0 2.0
   69    68    77    81   3.62500 -1.0 2.0
   69    68    77    83   3.62500 -1.0 2.0
   77    81   -89    58   3.62500 -1.0 2.0
   77    81    89    90   3.62500 -1.0 2.0
   81    77    83    84   0.84100 -1.0 2.0
   82    81    89    58   3.62500 -1.0 2.0
   82    81    89    90   3.62500 -1.0 2.0
   89    58    61    62   3.62500 -1.0 2.0
   89    58   -61    68   3.62500 -1.0 2.0
   83    77    81    82   3.62500 -1.0 2.0
   83    77    81    89   3.62500 -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
   36    30    35    37  10.50000 -1.0 2.0
   48    58    54    55  10.50000 -1.0 2.0
   61    89    58    54   4.00000 -1.0 2.0
   68    62    61    58   1.10000 -1.0 2.0
   77    69    68    61   1.10000 -1.0 2.0
   81    83    77    68   4.00000 -1.0 2.0
   89    82    81    77   1.10000 -1.0 2.0
   81    90    89    58   1.10000 -1.0 2.0
END
