* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    163    250     469
    1     0 S   NP   _N1_     1    29.02049    99.32546   -23.30274
    2     1 S   H    _HN1     2     1.02776    99.14397   -76.35263
    3     1 S   H    _H1_     3     1.02957    50.70584    29.91139
    4     1 S   H    _H2_     4     1.02835    62.62863   178.15390
    5     1 S   CT   _CA1     5     1.50128   147.99995    92.51356
    6     5 S   HC   _HA1     6     1.09574   105.21851   130.41445
    7     5 S   CO3  _C1_     7     1.53790   112.37251    10.21450
    8     7 S   O2Z  _O11     8     1.26366   114.99877   -43.70503
    9     7 S   O2Z  _O12     9     1.26237   114.93377   135.41577
   10     5 S   CT   _CB1    10     1.53097   107.42327  -111.66449
   11    10 S   HC   HB11    11     1.09827   109.34248   -50.46507
   12    10 S   HC   HB12    12     1.09817   110.42045    66.09494
   13    10 S   CT   _CG1    13     1.53016   112.66733  -171.53664
   14    13 S   HC   HG11    14     1.09594   110.48688   -64.24345
   15    13 S   HC   HG12    15     1.09657   109.91868    54.95442
   16    13 S   C    _CD1    16     1.51844   112.32905   175.33150
   17    16 S   O    _OE1    17     1.22754   123.26734     0.19979
   18    16 S   N    _N2_    18     1.38548   111.67975  -179.86012
   19    18 S   H    _HN2    19     1.01564   118.99670     4.81910
   20    18 S   CT1  _CA2    20     1.45846   123.01151   177.72583
   21    20 S   HC   _HA2    21     1.09796   108.76096    21.44332
   22    20 S   C    _C2_    22     1.53146   107.65652   -94.36497
   23    22 S   O    _O2_    23     1.22935   123.15729   -19.07011
   24    20 S   CT   _CB2    32     1.53273   111.82863   144.05722
   25    24 S   HC   HB21    33     1.09551   110.87943    48.26624
   26    24 S   HC   HB22    34     1.09326   109.60049   167.76343
   27    22 S   N    _N3_    24     1.38649   112.33637   162.01779
   28    27 S   H    _HN3    25     1.01625   120.02665    -0.93712
   29    24 S   S    _SG2    35     1.83079   110.14995   -72.65648
   30    27 S   CT   _CA3    26     1.45439   123.09379  -178.69224
   31    30 S   HC   HA31    27     1.09486   108.88020   -36.78356
   32    30 S   HC   HA32    28     1.09541   106.96588    79.61960
   33    29 S   CT   _C29    36     1.84039   100.76866   179.95577
   34    33 S   HC   _H3_    37     1.09500   104.77493   -70.88236
   35    30 S   CO3  _C3_    29     1.52982   114.14485  -160.00719
   36    35 S   O2Z  _O31    30     1.26340   116.12136    -8.90779
   37    35 S   O2Z  _O32    31     1.26453   114.48240   171.16923
   38    33 S   CM   _C22    38     1.53746   113.04680    50.60724
   39    33 S   CT   _C27    87     1.53019   108.76198   175.37251
   40    39 S   HC   _H50    88     1.09580   112.48052   -59.95545
   41    39 S   HC   _H51    89     1.09615   110.55590   179.70993
   42    39 S   HC   _H52    90     1.09623   111.02423    60.93497
   43    38 S   CMA  _C21    39     1.37182   119.98773  -120.84384
   44    43 S   OM   _O27    40     1.26899   128.20260    -1.16130
   45    38 S   CT   _C24    83     1.52282   114.77855    60.11619
   46    45 S   HC   _H41    84     1.09331   111.71306   -46.25134
   47    45 S   HC   _H42    85     1.09190   114.33373  -165.38342
   48    45 S   HC   _H43    86     1.09483   109.82645    73.64636
   49    43 S   CA   _C12    41     1.50524   114.52352   177.36314
   50    49 S   CA   _C14    42     1.41116   119.96310   -99.34139
   51    50 S   CA   _C10    43     1.40002   123.08805   177.07276
   52    51 S   CA   _C13    44     1.41206   117.40412     0.14127
   53    51 S   CM   _C19    66     1.48365   118.06976  -179.32391
   54    52 S   CA   _C11    45     1.40888   121.25028     0.22117
   55    53 S   CA   _C9_    67     1.47785   126.90164   175.65499
   56    53 S   CM   _C17    78     1.34329   119.07542    -3.82152
   57    56 S   HC   _H39    79     1.08729   121.80560  -179.79826
   58    49 S   CA   _C15    46     1.40675   122.13685    79.87434
   59    54 S   CM   _C16    52     1.46147   119.10819  -176.46487
   60    59 S   HC   _H38    53     1.08336   120.22286   171.26207
   61    55 S   CA   _C7_    68     1.40206   120.05224   -90.02938
   62    61 S   HA   _H36    69     1.08791   120.55659     0.00000
   63    56 S   CO4  _C20    80     1.46690   123.31442     0.97277
   64    63 S   O    _O28    81     1.22535   121.47193  -176.05533
   65    58 S   OS   _O33    47     1.37722   119.19092    -0.01978
   66    59 S   CM   _C18    54     1.33400   118.92223    -9.90959
   67    66 S   HC   _H40    55     1.08674   119.15796  -177.82741
   68    61 S   CA   _C5_    70     1.39530   120.13513   179.98022
   69    68 S   HA   _H34    71     1.08621   119.89142  -179.90935
   70    50 S   OS   _O29    82     1.41708   116.57403    -3.27686
   71    65 S   CT   _C28    48     1.42910   110.47096    94.81812
   72    71 S   HC   _H53    49     1.09406   107.70339  -173.56148
   73    71 S   HC   _H54    50     1.09486   111.10281    68.40351
   74    71 S   HC   _H55    51     1.09451   112.06094   -54.94079
   75    66 S   CT   _C23    56     1.50383   122.20088     1.04978
   76    68 S   CA   _C4_    72     1.39444   120.08242     0.16071
   77    76 S   HA   _H33    73     1.08621   119.95041  -179.97202
   78    52 S   OS   _O30    57     1.37135   117.43799  -177.74449
   79    75 S   CT   _C25    58     1.53289   110.05565  -106.28440
   80    79 S   HC   _H44    59     1.09605   110.87168  -179.16327
   81    79 S   HC   _H45    60     1.09655   111.05003    62.93698
   82    79 S   HC   _H46    61     1.09554   111.90540   -58.12959
   83    75 S   CT   _C26    62     1.53359   109.29974   133.34433
   84    83 S   HC   _H47    63     1.09641   110.86125  -179.64392
   85    83 S   HC   _H48    64     1.09558   112.05085    59.31847
   86    83 S   HC   _H49    65     1.09679   110.88373   -61.85968
   87    76 S   CA   _C6_    74     1.39448   120.07110     0.13988
   88    87 S   HA   _H35    75     1.08619   119.97371   179.95154
   89    55 S   CA   _C8_    76     1.40183   120.44918    90.46534
   90    89 S   HA   _H37    77     1.08726   120.58002    -0.41022
  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   9   5   4   3
  13   7   2   1   1  13   5   2   1   1  12   4   4   2   1   1
  11  12  14  14  14   9  12   6   3  10   8   3   8   4   2   1
   4  11   4   6   3   1   3   2   1   1   9   5   3   8   7   3
   2   1   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    58    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    54    58    65    70    45    46    47    48  
   49    50    58    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    54    58    65    71    59    53    63    70  
   51    52    54    58    65    78    53    55    56    63    64    70  
   52    54    58    59    75    78    53    55    61    89    56    57    63    70  
   54    58    65    59    60    66    75    78    79    83    53    55    56    70  
   55    61    62    68    87    89    90    56    57    63    64    70    54    78  
   58    65    71    59    60    66    67    75    78  
   61    62    68    69    76    87    88    89    90    56    57    63  
   57    63    64    70    61    89  
   63    64    70  
   65    71    72    73    74    59    60    66    78    70  
   60    66    67    75    78    79    83    65  
   66    67    75  
   62    68    69    76    77    87    89    90  
   68    69    76    89  
   64    70  
   70  
   71    72    73    74  
   67    75    78    79    80    81    82    83    84    85    86  
   75    78    79    83  
   69    76    77    87    88    89  
   76    77    87  
    0  
   72    73    74  
   73    74  
   74  
    0  
   78    79    80    81    82    83    84    85    86  
   77    87    88    89    90  
   87    88    89  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   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   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   320.000  1.460
   49    50   469.000  1.400
   49    58   469.000  1.400
   50    51   469.000  1.400
   50    70   450.000  1.364
   51    52   469.000  1.400
   51    53   320.000  1.460
   52    54   469.000  1.400
   52    78   450.000  1.364
   54    58   469.000  1.400
   54    59   320.000  1.460
   58    65   450.000  1.364
   65    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   59    60   340.000  1.080
   59    66   549.000  1.340
   66    67   340.000  1.080
   66    75   317.000  1.510
   75    78   320.000  1.410
   75    79   268.000  1.529
   75    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   53    55   320.000  1.460
   53    56   549.000  1.340
   55    61   469.000  1.400
   55    89   469.000  1.400
   61    62   367.000  1.080
   61    68   469.000  1.400
   68    69   367.000  1.080
   68    76   469.000  1.400
   76    77   367.000  1.080
   76    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    90   367.000  1.080
   56    57   340.000  1.080
   56    63   320.000  1.462
   63    64   570.000  1.229
   63    70   214.000  1.327
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    60.00000  123.20500
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    60.00000  120.93500
   43    49    58    60.00000  120.93500
   49    43    44    85.00000  114.86500
   49    50    51    63.00000  120.00000
   49    50    70    70.00000  120.00000
   49    58    54    63.00000  120.00000
   49    58    65    70.00000  120.00000
   50    51    52    63.00000  120.00000
   50    51    53    60.00000  120.93500
   50    70    63    85.00000  115.98000
   51    52    54    63.00000  120.00000
   51    52    78    70.00000  120.00000
   51    53    55    60.00000  124.00000
   51    53    56    60.00000  123.20500
   52    54    58    63.00000  120.00000
   52    54    59    60.00000  120.93500
   52    78    75    75.00000  111.00000
   54    58    65    70.00000  120.00000
   54    59    60    40.00000  117.26300
   54    59    66    60.00000  123.20500
   58    49    50    63.00000  120.00000
   58    65    71    75.00000  111.00000
   65    71    72    35.00000  109.50000
   65    71    73    35.00000  109.50000
   65    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   59    54    58    60.00000  120.93500
   59    66    67    35.00000  120.00000
   59    66    75    70.00000  124.00000
   66    59    60    35.00000  120.00000
   66    75    78    85.00000  110.90400
   66    75    79    70.00000  112.02700
   66    75    83    70.00000  112.02700
   75    66    67    35.00000  117.00000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    82    37.50000  110.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   78    52    54    70.00000  120.00000
   79    75    78    50.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    75    78    50.00000  109.50000
   83    75    79    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   53    51    52    60.00000  120.93500
   53    55    61    60.00000  118.70000
   53    55    89    60.00000  118.70000
   53    56    57    35.00000  120.00000
   53    56    63    65.00000  118.96000
   55    61    62    35.00000  120.00000
   55    61    68    63.00000  120.00000
   55    89    87    63.00000  120.00000
   55    89    90    35.00000  120.00000
   61    68    69    35.00000  120.00000
   61    68    76    63.00000  120.00000
   68    61    62    35.00000  120.00000
   68    76    77    35.00000  120.00000
   68    76    87    63.00000  120.00000
   76    68    69    35.00000  120.00000
   76    87    88    35.00000  120.00000
   76    87    89    63.00000  120.00000
   87    76    77    35.00000  120.00000
   87    89    90    35.00000  120.00000
   89    55    61    63.00000  120.00000
   89    87    88    35.00000  120.00000
   56    53    55    60.00000  123.66000
   56    63    64    80.00000  123.72100
   56    63    70    90.00000  111.29400
   63    56    57    40.00000  117.72500
   70    50    51    70.00000  120.00000
   70    63    64    83.00000  123.40000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50   0.15800  1.0 1.0
   38    43    49    50   1.85350 -1.0 2.0
   38    43    49    50  -0.48700  1.0 3.0
   38    43    49    58   0.15800  1.0 1.0
   38    43    49    58   1.85350 -1.0 2.0
   38    43    49    58  -0.48700  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   3.62500 -1.0 2.0
   43    49    50    70   3.62500 -1.0 2.0
   43    49    58    54   3.62500 -1.0 2.0
   43    49    58    65   3.62500 -1.0 2.0
   44    43    49    50  -0.01750  1.0 1.0
   44    43    49    50  -0.32000 -1.0 2.0
   44    43    49    50   0.00600  1.0 3.0
   44    43    49    58  -0.01750  1.0 1.0
   44    43    49    58  -0.32000 -1.0 2.0
   44    43    49    58   0.00600  1.0 3.0
   49    50    51    52   3.62500 -1.0 2.0
   49    50    51    53   3.62500 -1.0 2.0
   49    50    70    63   0.01300  1.0 1.0
   49    50    70    63   0.97950 -1.0 2.0
   49    50    70    63  -0.55700  1.0 3.0
   49    58    65    71   1.63200 -1.0 2.0
   50    49    58    54   3.62500 -1.0 2.0
   50    49    58    65   3.62500 -1.0 2.0
   50    51   -52    54   3.62500 -1.0 2.0
   50    51    52    78   3.62500 -1.0 2.0
   50    51    53    55  -0.01750  1.0 1.0
   50    51    53    55  -0.32000 -1.0 2.0
   50    51    53    55   0.00600  1.0 3.0
   50    51    53    56   0.15800  1.0 1.0
   50    51    53    56   1.85350 -1.0 2.0
   50    51    53    56  -0.48700  1.0 3.0
   51    50    70    63   0.01300  1.0 1.0
   51    50    70    63   0.97950 -1.0 2.0
   51    50    70    63  -0.55700  1.0 3.0
   51    52    54    58   3.62500 -1.0 2.0
   51    52    54    59   3.62500 -1.0 2.0
   51    52    78    75   1.63200 -1.0 2.0
   51    53    55    61  -0.01750  1.0 1.0
   51    53    55    61  -0.32000 -1.0 2.0
   51    53    55    61   0.00600  1.0 3.0
   51    53    55    89  -0.01750  1.0 1.0
   51    53    55    89  -0.32000 -1.0 2.0
   51    53    55    89   0.00600  1.0 3.0
   51    53    56    57   7.00000 -1.0 2.0
   51    53   -56    63   7.00000 -1.0 2.0
   52    51    53    55  -0.01750  1.0 1.0
   52    51    53    55  -0.32000 -1.0 2.0
   52    51    53    55   0.00600  1.0 3.0
   52    51    53    56   0.15800  1.0 1.0
   52    51    53    56   1.85350 -1.0 2.0
   52    51    53    56  -0.48700  1.0 3.0
   52    54   -58    49   3.62500 -1.0 2.0
   52    54    58    65   3.62500 -1.0 2.0
   52    54    59    60   0.56550  1.0 3.0
   52    54    59    66   0.15800  1.0 1.0
   52    54    59    66   1.85350 -1.0 2.0
   52    54    59    66  -0.48700  1.0 3.0
   54    52    78    75   1.63200 -1.0 2.0
   54    58    65    71   1.63200 -1.0 2.0
   54    59    66    67   7.00000 -1.0 2.0
   54    59   -66    75   7.00000 -1.0 2.0
   58    49   -50    51   3.62500 -1.0 2.0
   58    49    50    70   3.62500 -1.0 2.0
   58    54    59    60   0.56550  1.0 3.0
   58    54    59    66   0.15800  1.0 1.0
   58    54    59    66   1.85350 -1.0 2.0
   58    54    59    66  -0.48700  1.0 3.0
   58    65    71    72   0.08050  1.0 3.0
   58    65    71    73   0.08050  1.0 3.0
   58    65    71    74   0.08050  1.0 3.0
   59    54    58    49   3.62500 -1.0 2.0
   59    54    58    65   3.62500 -1.0 2.0
   59    66    75    78   0.39000  1.0 1.0
   59    66    75    78  -0.05800 -1.0 2.0
   59    66    75    78  -0.55150  1.0 3.0
   59    66    75    79   0.09850  1.0 1.0
   59    66    75    79   0.15250 -1.0 2.0
   59    66    75    79  -0.50650  1.0 3.0
   59    66    75    83   0.09850  1.0 1.0
   59    66    75    83   0.15250 -1.0 2.0
   59    66    75    83  -0.50650  1.0 3.0
   60    59    66    67   7.00000 -1.0 2.0
   60    59    66    75   7.00000 -1.0 2.0
   66    75   -78    52  -0.25600  1.0 1.0
   66    75   -78    52  -0.40050 -1.0 2.0
   66    75   -78    52   0.34700  1.0 3.0
   66    75    79    80   0.15000  1.0 3.0
   66    75    79    81   0.15000  1.0 3.0
   66    75    79    82   0.15000  1.0 3.0
   66    75    83    84   0.15000  1.0 3.0
   66    75    83    85   0.15000  1.0 3.0
   66    75    83    86   0.15000  1.0 3.0
   67    66    75    78   0.00000  1.0 1.0
   67    66    75    79   0.00000  1.0 1.0
   67    66    75    83   0.00000  1.0 1.0
   78    52    54    58   3.62500 -1.0 2.0
   78    52   -54    59   3.62500 -1.0 2.0
   78    75    79    80   0.23400  1.0 3.0
   78    75    79    81   0.23400  1.0 3.0
   78    75    79    82   0.23400  1.0 3.0
   78    75    83    84   0.23400  1.0 3.0
   78    75    83    85   0.23400  1.0 3.0
   78    75    83    86   0.23400  1.0 3.0
   79    75    78    52  -0.32850  1.0 1.0
   79    75    78    52  -0.35800 -1.0 2.0
   79    75    78    52   0.33950  1.0 3.0
   79    75    83    84   0.15000  1.0 3.0
   79    75    83    85   0.15000  1.0 3.0
   79    75    83    86   0.15000  1.0 3.0
   83    75    78    52  -0.32850  1.0 1.0
   83    75    78    52  -0.35800 -1.0 2.0
   83    75    78    52   0.33950  1.0 3.0
   83    75    79    80   0.15000  1.0 3.0
   83    75    79    81   0.15000  1.0 3.0
   83    75    79    82   0.15000  1.0 3.0
   53    51    52    54   3.62500 -1.0 2.0
   53    51    52    78   3.62500 -1.0 2.0
   53    55    61    62   3.62500 -1.0 2.0
   53    55    61    68   3.62500 -1.0 2.0
   53    55    89    87   3.62500 -1.0 2.0
   53    55    89    90   3.62500 -1.0 2.0
   53    56    63    64   1.00000 -1.0 2.0
   53    56    63    70  -0.56150  1.0 1.0
   53    56    63    70   2.19150 -1.0 2.0
   55    53    56    57   7.00000 -1.0 2.0
   55    53    56    63   7.00000 -1.0 2.0
   55    61    68    69   3.62500 -1.0 2.0
   55    61    68    76   3.62500 -1.0 2.0
   61    55    89    87   3.62500 -1.0 2.0
   61    55    89    90   3.62500 -1.0 2.0
   61    68    76    77   3.62500 -1.0 2.0
   61    68   -76    87   3.62500 -1.0 2.0
   62    61    68    69   3.62500 -1.0 2.0
   62    61    68    76   3.62500 -1.0 2.0
   68    76    87    88   3.62500 -1.0 2.0
   68    76    87    89   3.62500 -1.0 2.0
   69    68    76    77   3.62500 -1.0 2.0
   69    68    76    87   3.62500 -1.0 2.0
   76    87   -89    55   3.62500 -1.0 2.0
   76    87    89    90   3.62500 -1.0 2.0
   77    76    87    88   3.62500 -1.0 2.0
   77    76    87    89   3.62500 -1.0 2.0
   88    87    89    55   3.62500 -1.0 2.0
   88    87    89    90   3.62500 -1.0 2.0
   89    55    61    62   3.62500 -1.0 2.0
   89    55   -61    68   3.62500 -1.0 2.0
   56    53    55    61   0.15800  1.0 1.0
   56    53    55    61   1.85350 -1.0 2.0
   56    53    55    61  -0.48700  1.0 3.0
   56    53    55    89   0.15800  1.0 1.0
   56    53    55    89   1.85350 -1.0 2.0
   56    53    55    89  -0.48700  1.0 3.0
   56    63   -70    50   2.00000 -1.0 2.0
   57    56    63    64   0.00000  1.0 1.0
   57    56    63    70   1.63100 -1.0 2.0
   64    63    70    50   3.00000 -1.0 2.0
   70    50    51    52   3.62500 -1.0 2.0
   70    50   -51    53   3.62500 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   49    44    43    38  15.00000 -1.0 2.0
   50    58    49    43   4.00000 -1.0 2.0
   51    70    50    49   4.00000 -1.0 2.0
   52    53    51    50   4.00000 -1.0 2.0
   54    78    52    51   4.00000 -1.0 2.0
   58    59    54    52   4.00000 -1.0 2.0
   54    65    58    49   4.00000 -1.0 2.0
   54    60    59    66   1.10000 -1.0 2.0
   75    67    66    59   1.10000 -1.0 2.0
   51    55    53    56   1.10000 -1.0 2.0
   61    89    55    53   4.00000 -1.0 2.0
   68    62    61    55   1.10000 -1.0 2.0
   76    69    68    61   1.10000 -1.0 2.0
   87    77    76    68   1.10000 -1.0 2.0
   89    88    87    76   1.10000 -1.0 2.0
   87    90    89    55   1.10000 -1.0 2.0
   63    57    56    53   1.10000 -1.0 2.0
   56    70    63    64  10.50000 -1.0 2.0
END
