* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    153    229     443
    1     0 S   NP   _N1_     1    29.14805    96.12357   -23.68623
    2     1 S   H    _HN1     2     1.02954    75.10323    13.72575
    3     1 S   H    _H1_     3     1.02833    35.22061   168.14856
    4     1 S   H    _H2_     4     1.02776   104.87450   -91.76564
    5     1 S   CT   _CA1     5     1.50108   137.49216   117.79904
    6     5 S   HC   _HA1     6     1.09558   105.22252    87.58716
    7     5 S   CO3  _C1_     7     1.53880   112.46168   -32.75917
    8     7 S   O2Z  _O11     8     1.26382   114.96942   -40.15649
    9     7 S   O2Z  _O12     9     1.26227   115.02283   139.04790
   10     5 S   CT   _CB1    10     1.53115   107.45264  -154.22779
   11    10 S   HC   HB11    11     1.09819   109.65316   -47.97206
   12    10 S   HC   HB12    12     1.09810   110.36022    68.78250
   13    10 S   CT   _CG1    13     1.52886   112.40138  -168.87978
   14    13 S   HC   HG11    14     1.09514   110.50053   -61.31740
   15    13 S   HC   HG12    15     1.09532   109.74777    57.92686
   16    13 S   C    _CD1    16     1.51666   112.61425   178.24064
   17    16 S   O    _OE1    17     1.22707   123.33582     0.29342
   18    16 S   N    _N2_    18     1.38609   111.44576  -179.70926
   19    18 S   H    _HN2    19     1.01544   119.08281     2.63500
   20    18 S   CT1  _CA2    20     1.46168   123.55584  -178.78953
   21    20 S   HC   _HA2    21     1.09720   109.23701     2.18409
   22    20 S   C    _C2_    22     1.53594   109.53420  -113.71780
   23    22 S   O    _O2_    23     1.23072   121.92882  -156.07206
   24    20 S   CT   _CB2    32     1.53463   111.06834   123.89283
   25    24 S   HC   HB21    33     1.09259   109.16375    59.20095
   26    24 S   HC   HB22    34     1.09523   110.21109   177.52377
   27    22 S   N    _N3_    24     1.38257   113.92942    30.96741
   28    27 S   H    _HN3    25     1.01534   119.05481    -3.56755
   29    24 S   S    _SG2    35     1.83386   110.99966   -63.07425
   30    27 S   CT   _CA3    26     1.45377   124.05360   176.53807
   31    30 S   HC   HA31    27     1.09511   106.84226   -98.55492
   32    30 S   HC   HA32    28     1.09464   109.54394    18.37664
   33    29 S   CT   _C24    36     1.85155   102.67169   159.51367
   34    33 S   OM   _O37    37     1.31799   112.92561    42.14629
   35    30 S   CO3  _C3_    29     1.52997   113.59860   141.97024
   36    35 S   O2Z  _O31    30     1.26377   115.94733    19.19951
   37    35 S   O2Z  _O32    31     1.26410   114.43014  -161.16107
   38    33 S   CT   _C25    38     1.54764   104.13839   156.67139
   39    38 S   HC   _H24    39     1.09858   111.11249    61.97893
   40    38 S   HC   _H25    40     1.09869   113.48412   -60.26513
   41    38 S   HC   _H26    41     1.09998   111.20908   178.64376
   42    33 S   OS   _O36    42     1.45648   114.59733   -91.52071
   43    42 S   CA   _C21    43     1.36709   118.13998    59.37677
   44    43 S   CA   _C20    44     1.39330   118.44794  -108.14752
   45    44 S   HA   _H21    45     1.08692   120.23044     2.58414
   46    44 S   CA   _C19    46     1.39898   120.20940  -177.59629
   47    46 S   HA   _H20    47     1.08662   117.52306   179.53438
   48    46 S   CA   _C18    48     1.40526   120.97083     0.40445
   49    48 S   CA   _C23    49     1.41213   117.53709     2.46545
   50    49 S   HA   _H23    50     1.08807   120.37572   177.24665
   51    48 S   CT   _C7_    53     1.54958   122.78647   179.03267
   52    43 S   CA   _C22    51     1.39065   121.34780    77.83090
   53    52 S   HA   _H22    52     1.08575   120.86956    -2.14055
   54    51 S   CA   _C10    54     1.56143   112.43969   130.22215
   55    51 S   CO4  _C6_    71     1.56749   112.82858     9.59921
   56    55 S   O    _O33    72     1.23414   121.60981  -105.02553
   57    51 S   CT   _C8_    80     1.57948   106.78382  -109.15744
   58    57 S   HC   _H8_    81     1.09774   109.82153   167.81835
   59    57 S   HC   _H9_    82     1.09881   109.88985   -75.87945
   60    54 S   CA   _C11    55     1.40995   121.43962   152.41915
   61    60 S   HA   _H13    56     1.08588   121.34015    -1.77531
   62    55 S   CT   _C5_    73     1.52963   118.42977    75.49578
   63    62 S   HC   _H6_    74     1.09304   109.41246   -44.42974
   64    62 S   HC   _H7_    75     1.09428   108.62627    74.32891
   65    57 S   CT   _C9_    83     1.53189   116.82632    46.45083
   66    65 S   HC   _H10    84     1.09385   111.81284   -69.52680
   67    65 S   HC   _H11    85     1.09276   112.36643    52.67626
   68    65 S   HC   _H12    86     1.09544   109.49469   172.18842
   69    60 S   CA   _C12    57     1.39751   121.44614   177.40852
   70    69 S   HA   _H14    58     1.08592   119.81510   179.39380
   71    62 S   CT   _C4_    76     1.51977   112.33454  -165.26818
   72    71 S   HC   _H3_    77     1.09495   111.11361   -61.96676
   73    71 S   HC   _H4_    78     1.09431   110.98256    58.03455
   74    71 S   HC   _H5_    79     1.09432   110.38614   178.16709
   75    69 S   CA   _C13    59     1.39075   119.36702    -1.61544
   76    75 S   CA   _C14    60     1.38876   120.94819     1.92895
   77    76 S   HA   _H15    61     1.08550   120.67251   179.06707
   78    75 S   OS   _O34    64     1.39848   121.07936   179.32103
   79    54 S   CA   _C15    62     1.41290   121.11684   -31.60440
   80    79 S   HA   _H16    63     1.08725   121.03489     1.59716
   81    78 S   CO4  _C16    65     1.39196   114.52214    68.20057
   82    81 S   O    _O35    66     1.22349   127.20608    -1.58041
   83    81 S   CT   _C17    67     1.49980   108.59317   178.53473
   84    83 S   HC   _H17    68     1.09289   109.81095   -60.84404
   85    83 S   HC   _H18    69     1.09378   109.32203  -179.83807
   86    83 S   HC   _H19    70     1.09283   109.83356    61.11276
  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   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   9   3  15
   7   3  21   1   1  16  14   5   9   5   4   8   4   6   5   4
   3   2   1   1   7   3   3   2   1   1   8   5   3   7   1   1
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    52  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    52    53  
   44    45    46    47    48    49    50    52    53  
   45    46    47    48    49    52    53    51  
   46    47    48    52  
   47    48    49    50    52    51    54    55    57  
   48    49    51  
   49    50    52    53    51    54    60    79    55    56    62    57    58    59    65  
   50    52    53    51    54    55    57  
   52    53    51  
   54    60    61    69    76    79    80    55    56    62    63    64    71    57    58    59    65    66    67    68    52  
   53  
    0  
   60    61    69    70    75    76    77    79    80    55    56    62    57    58    59    65  
   56    62    63    64    71    72    73    74    57    58    59    65    60    79  
   62    63    64    71    57  
   58    59    65    66    67    68    60    62    79  
   59    65    66    67    68  
   65    66    67    68  
   61    69    70    75    76    79    80    78  
   69    70    75    79  
   63    64    71    72    73    74  
   64    71    72    73    74  
   71    72    73    74  
   66    67    68  
   67    68  
   68  
    0  
   70    75    76    77    79    78    81  
   75    76    78  
   72    73    74  
   73    74  
   74  
    0  
   76    77    79    80    78    81    82    83  
   77    79    80    78    81  
   79    80    78  
   81    82    83    84    85    86    79  
   80  
    0  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    52   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    51   317.000  1.510
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   51    54   317.000  1.510
   51    55   317.000  1.522
   51    57   268.000  1.529
   54    60   469.000  1.400
   54    79   469.000  1.400
   60    61   367.000  1.080
   60    69   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   469.000  1.400
   75    78   450.000  1.364
   76    77   367.000  1.080
   76    79   469.000  1.400
   79    80   367.000  1.080
   78    81   214.000  1.327
   81    82   570.000  1.229
   81    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   55    56   570.000  1.229
   55    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    52    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    52    49    63.00000  120.00000
   43    52    53    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    51    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    52    63.00000  120.00000
   48    51    54    70.00000  112.04700
   48    51    55    70.00000  110.93000
   48    51    57    70.00000  112.17500
   49    52    53    35.00000  120.00000
   52    43    44    63.00000  120.00000
   52    49    50    35.00000  120.00000
   51    48    49    70.00000  120.00000
   51    54    60    70.00000  120.00000
   51    54    79    70.00000  120.00000
   51    55    56    80.00000  120.40000
   51    55    62    70.00000  116.00000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    65    58.35000  112.70000
   54    60    61    35.00000  120.00000
   54    60    69    63.00000  120.00000
   54    79    76    63.00000  120.00000
   54    79    80    35.00000  120.00000
   60    69    70    35.00000  120.00000
   60    69    75    63.00000  120.00000
   69    60    61    35.00000  120.00000
   69    75    76    63.00000  120.00000
   69    75    78    70.00000  120.00000
   75    69    70    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    79    63.00000  120.00000
   75    78    81    85.00000  115.98000
   76    79    80    35.00000  120.00000
   79    54    60    63.00000  120.00000
   79    76    77    35.00000  120.00000
   78    75    76    70.00000  120.00000
   78    81    82    83.00000  123.40000
   78    81    83    81.00000  111.40000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    86    35.00000  109.50000
   83    81    82    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   55    51    54    70.00000  110.93000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    71    63.00000  111.10000
   62    55    56    80.00000  120.40000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    71    74    37.50000  110.70000
   64    62    63    33.00000  107.80000
   71    62    63    37.50000  110.70000
   71    62    64    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   57    51    54    70.00000  112.17500
   57    51    55    63.00000  111.10000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    68    37.50000  110.70000
   59    57    58    33.00000  107.80000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    52   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    52    49   3.62500 -1.0 2.0
   42    43    52    53   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    52    49   3.62500 -1.0 2.0
   44    43    52    53   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    51   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    51    54   0.04300 -1.0 2.0
   46    48    51    55   0.04300 -1.0 2.0
   46    48    51    57   0.04150 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   48    49   -52    43   3.62500 -1.0 2.0
   48    49    52    53   3.62500 -1.0 2.0
   48    51    54    60   0.04300 -1.0 2.0
   48    51    54    79   0.04300 -1.0 2.0
   48    51    55    56   0.30150 -1.0 2.0
   48    51    55    62   0.65300  1.0 1.0
   48    51    55    62  -0.03850 -1.0 2.0
   48    51    55    62   0.33900  1.0 3.0
   48    51    57    58   0.43200  1.0 3.0
   48    51    57    59   0.43200  1.0 3.0
   48    51    57    65  -0.03700  1.0 1.0
   48    51    57    65   0.37200 -1.0 2.0
   48    51    57    65  -0.47300  1.0 3.0
   49    48    51    54   0.04300 -1.0 2.0
   49    48    51    55   0.04300 -1.0 2.0
   49    48    51    57   0.04150 -1.0 2.0
   50    49    52    43   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   52    43    44    45   3.62500 -1.0 2.0
   52    43   -44    46   3.62500 -1.0 2.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    52   3.62500 -1.0 2.0
   51    54    60    61   3.62500 -1.0 2.0
   51    54    60    69   3.62500 -1.0 2.0
   51    54    79    76   3.62500 -1.0 2.0
   51    54    79    80   3.62500 -1.0 2.0
   51    55    62    63   0.00000  1.0 1.0
   51    55    62    64   0.00000  1.0 1.0
   51    55    62    71   0.60050  1.0 1.0
   51    55    62    71   0.05600 -1.0 2.0
   51    55    62    71   0.26150  1.0 3.0
   51    57    65    66   0.15000  1.0 3.0
   51    57    65    67   0.15000  1.0 3.0
   51    57    65    68   0.15000  1.0 3.0
   54    51    55    56   0.30150 -1.0 2.0
   54    51    55    62   0.65300  1.0 1.0
   54    51    55    62  -0.03850 -1.0 2.0
   54    51    55    62   0.33900  1.0 3.0
   54    51    57    58   0.43200  1.0 3.0
   54    51    57    59   0.43200  1.0 3.0
   54    51    57    65  -0.03700  1.0 1.0
   54    51    57    65   0.37200 -1.0 2.0
   54    51    57    65  -0.47300  1.0 3.0
   54    60    69    70   3.62500 -1.0 2.0
   54    60    69    75   3.62500 -1.0 2.0
   60    54    79    76   3.62500 -1.0 2.0
   60    54    79    80   3.62500 -1.0 2.0
   60    69   -75    76   3.62500 -1.0 2.0
   60    69    75    78   3.62500 -1.0 2.0
   61    60    69    70   3.62500 -1.0 2.0
   61    60    69    75   3.62500 -1.0 2.0
   69    75    76    77   3.62500 -1.0 2.0
   69    75    76    79   3.62500 -1.0 2.0
   69    75    78    81   0.01300  1.0 1.0
   69    75    78    81   0.97950 -1.0 2.0
   69    75    78    81  -0.55700  1.0 3.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    78   3.62500 -1.0 2.0
   75    76   -79    54   3.62500 -1.0 2.0
   75    76    79    80   3.62500 -1.0 2.0
   75    78    81    82   3.00000 -1.0 2.0
   75    78    81    83   0.75600  1.0 1.0
   75    78    81    83   1.63000 -1.0 2.0
   76    75    78    81   0.01300  1.0 1.0
   76    75    78    81   0.97950 -1.0 2.0
   76    75    78    81  -0.55700  1.0 3.0
   77    76    79    54   3.62500 -1.0 2.0
   77    76    79    80   3.62500 -1.0 2.0
   79    54    60    61   3.62500 -1.0 2.0
   79    54   -60    69   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    79   3.62500 -1.0 2.0
   78    81    83    84   0.00000  1.0 1.0
   78    81    83    85   0.00000  1.0 1.0
   78    81    83    86   0.00000  1.0 1.0
   82    81    83    84   0.00000  1.0 1.0
   82    81    83    85   0.00000  1.0 1.0
   82    81    83    86   0.00000  1.0 1.0
   55    51    54    60   0.04300 -1.0 2.0
   55    51    54    79   0.04300 -1.0 2.0
   55    51    57    58  -0.11250  1.0 3.0
   55    51    57    59  -0.11250  1.0 3.0
   55    51    57    65  -0.95700  1.0 1.0
   55    51    57    65  -0.18200 -1.0 2.0
   55    51    57    65   0.29450  1.0 3.0
   55    62    71    72  -0.11250  1.0 3.0
   55    62    71    73  -0.11250  1.0 3.0
   55    62    71    74  -0.11250  1.0 3.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    64   0.00000  1.0 1.0
   56    55    62    71   0.30150 -1.0 2.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    73   0.15000  1.0 3.0
   63    62    71    74   0.15000  1.0 3.0
   64    62    71    72   0.15000  1.0 3.0
   64    62    71    73   0.15000  1.0 3.0
   64    62    71    74   0.15000  1.0 3.0
   57    51    54    60   0.04150 -1.0 2.0
   57    51    54    79   0.04150 -1.0 2.0
   57    51    55    56   0.30150 -1.0 2.0
   57    51    55    62   0.60050  1.0 1.0
   57    51    55    62   0.05600 -1.0 2.0
   57    51    55    62   0.26150  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    68   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    67   0.15000  1.0 3.0
   59    57    65    68   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    52    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    51    48    46   4.00000 -1.0 2.0
   52    50    49    48   1.10000 -1.0 2.0
   49    53    52    43   1.10000 -1.0 2.0
   60    79    54    51   4.00000 -1.0 2.0
   69    61    60    54   1.10000 -1.0 2.0
   75    70    69    60   1.10000 -1.0 2.0
   76    78    75    69   4.00000 -1.0 2.0
   79    77    76    75   1.10000 -1.0 2.0
   76    80    79    54   1.10000 -1.0 2.0
   78    83    81    82  10.50000 -1.0 2.0
   51    62    55    56  10.50000 -1.0 2.0
END
