* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    158    262     479
    1     0 S   NP   _N1_     1    28.30468    93.53286   -26.32593
    2     1 S   H    _HN1     2     1.02958    96.31677    -1.01085
    3     1 S   H    _H1_     3     1.02836    10.73511   179.37442
    4     1 S   H    _H2_     4     1.02777   112.44662  -113.84822
    5     1 S   CT   _CA1     5     1.50126   115.78953   115.27208
    6     5 S   HC   _HA1     6     1.09574   105.22467    69.46920
    7     5 S   CO3  _C1_     7     1.53787   112.36558   -50.74321
    8     7 S   O2Z  _O11     8     1.26365   114.99720   -44.07804
    9     7 S   O2Z  _O12     9     1.26236   114.93377   135.04127
   10     5 S   CT   _CB1    10     1.53095   107.42110  -172.61595
   11    10 S   HC   HB11    11     1.09826   109.34465   -50.56012
   12    10 S   HC   HB12    12     1.09817   110.42086    65.99736
   13    10 S   CT   _CG1    13     1.53012   112.66391  -171.63360
   14    13 S   HC   HG11    14     1.09595   110.48519   -64.08703
   15    13 S   HC   HG12    15     1.09655   109.92987    55.11497
   16    13 S   C    _CD1    16     1.51834   112.31909   175.49324
   17    16 S   O    _OE1    17     1.22745   123.28747    -0.15451
   18    16 S   N    _N2_    18     1.38554   111.68662   179.83214
   19    18 S   H    _HN2    19     1.01553   119.02353     4.69870
   20    18 S   CT1  _CA2    20     1.45871   122.91336   178.09607
   21    20 S   HC   _HA2    21     1.09717   108.98608    23.40418
   22    20 S   C    _C2_    22     1.52881   106.73352   -93.82897
   23    22 S   O    _O2_    23     1.23004   122.91377   -29.78374
   24    20 S   CT   _CB2    32     1.53356   112.24995   146.63575
   25    24 S   HC   HB21    33     1.09472   109.51202    54.66897
   26    24 S   HC   HB22    34     1.09375   109.61507   173.46139
   27    22 S   N    _N3_    24     1.38467   112.70038   153.01736
   28    27 S   H    _HN3    25     1.01673   120.39624    -2.06678
   29    24 S   S    _SG2    35     1.82943   110.62502   -65.61448
   30    27 S   CT   _CA3    26     1.45357   122.35938   178.56196
   31    30 S   HC   HA31    27     1.09573   107.57052   -59.65883
   32    30 S   HC   HA32    28     1.09565   107.81693    56.62220
   33    29 S   CT   _C18    36     1.90678   102.63998  -173.24727
   34    30 S   CO3  _C3_    29     1.52859   114.41579   178.39441
   35    34 S   O2Z  _O31    30     1.26311   116.07815    -6.14529
   36    34 S   O2Z  _O32    31     1.26440   114.40441   173.95422
   37    33 S   CM   _C6_    37     1.52557   104.87306    64.20971
   38    37 S   HC   _H28    38     1.08862   117.80154   -90.57198
   39    33 S   CT   _C14    70     1.54408   107.42351   -54.97490
   40    39 S   HC   _H37    71     1.09698   110.92187    67.80652
   41    39 S   HC   _H38    72     1.09787   110.27178   -49.44746
   42    37 S   CMA  _C7_    39     1.35059   123.37470    88.55493
   43    42 S   OM   _O20    40     1.25888   131.11619  -178.70987
   44    42 S   CM   _C4_    41     1.46213   117.33008    -0.10087
   45    44 S   HC   _H26    42     1.08848   119.36199  -162.48990
   46    44 S   CM   _C5_    43     1.34435   122.14597    18.35386
   47    46 S   HC   _H27    44     1.08663   118.73075   178.43953
   48    33 S   CT   _C17    45     1.60250   111.12249  -176.28501
   49    48 S   CT   _C19    46     1.58659   110.60815   168.62688
   50    49 S   F    _F24    47     1.37479   108.00023    60.47912
   51    48 S   CT   _C21    77     1.55586   110.66672    46.32078
   52    51 S   HC   _H41    78     1.09403   112.06573    49.83407
   53    51 S   HC   _H42    79     1.09575   112.09904   -71.32773
   54    51 S   HC   _H43    80     1.09288   112.83987   170.06819
   55    49 S   CO4  _C8_    48     1.54558   115.02164   178.56796
   56    55 S   O    _O21    49     1.22968   124.38143    -5.87930
   57    55 S   CT   _C10    50     1.51100   115.91530   178.35980
   58    57 S   HC   _H29    51     1.09680   108.47401    67.34704
   59    57 S   HC   _H30    52     1.09683   109.49313  -177.37237
   60    57 S   CT   _C20    53     1.52931   110.66389   -54.96376
   61    60 S   CT   _C15    54     1.54296   108.90891    56.82843
   62    61 S   HC   _H39    55     1.10118   107.79427    58.57762
   63    60 S   CT   _C22    73     1.54183   109.48897   -69.69566
   64    63 S   HC   _H44    74     1.09451   111.93619  -173.61220
   65    63 S   HC   _H45    75     1.09338   112.88035    63.87451
   66    63 S   HC   _H46    76     1.09696   110.21367   -56.65281
   67    61 S   CT   _C12    56     1.52877   108.47544   173.03520
   68    67 S   HC   _H33    57     1.09459   111.37082  -175.81081
   69    67 S   HC   _H34    58     1.09558   110.80558    66.10055
   70    49 S   CT   _C16    65     1.55319   112.02340   -55.27191
   71    70 S   HC   _H40    66     1.09630   109.67033   -59.85395
   72    67 S   CT   _C11    59     1.51886   110.41060   -56.43501
   73    72 S   HC   _H31    60     1.09682   109.26621   -77.46052
   74    72 S   HC   _H32    61     1.09590   108.73732   165.27868
   75    70 S   CT   _C13    67     1.53659   108.97610    58.25711
   76    75 S   HC   _H35    68     1.09504   110.34296  -176.69886
   77    75 S   HC   _H36    69     1.09711   110.19861    65.92424
   78    72 S   CO4  _C9_    62     1.50643   116.13957    42.96736
   79    78 S   O    _O22    63     1.22852   121.30774   157.92038
   80    60 S   OS   _O23    64     1.45168   106.15989   175.74600
  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  12   5   4   3
  22   2   1   1  13   5  13   6   5   6   3   6   3  10   3  13
  19   8   5   2   1   1  11   5  13   5   4  16  18   9   7   3
   2   1  11   6   5   6   3   5   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    75    39    40    41    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    55    70    75    76    77    39    40    41    51    52    53    54  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    75    39    40    41    51  
   42    43    44    48    39  
   40    41    51    42    46    48    49    61    70    71    75    76    77  
   41    48    70    75    76    77  
   48    70    75    76    77  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49    51  
   46    47    48  
   47    48    49    50    55    70    51    52    53    54  
   48    49    51  
   49    50    55    56    57    61    70    71    75    51    52    53    54  
   50    55    56    57    58    59    60    61    62    67    70    71    75    76    77    51    52    53    54  
   55    56    57    61    70    71    75    51  
   52    53    54    55    70  
   53    54  
   54  
    0  
   56    57    58    59    60    61    80    70    71    75    63  
   57    58    59    60    70  
   58    59    60    61    62    67    78    80    70    63    64    65    66  
   59    60    61    80    63  
   60    61    80    63  
   61    62    67    68    69    72    78    79    80    70    71    75    63    64    65    66  
   62    67    68    69    72    73    74    78    80    70    71    75    76    77    63    64    65    66  
   67    68    69    72    80    70    71    75    63  
   64    65    66    67    70    78    80  
   65    66    80  
   66    80  
   80  
   68    69    72    73    74    78    79    80    70    71    75  
   69    72    73    74    78    70  
   72    73    74    78    70  
   71    75    76    77    72    80  
   75    76    77  
   73    74    78    79    80  
   74    78    79    80  
   78    79    80  
   76    77  
   77  
    0  
   79    80  
   80  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   268.000  1.529
   48    51   268.000  1.529
   49    50   367.000  1.332
   49    55   317.000  1.522
   49    70   268.000  1.529
   55    56   570.000  1.229
   55    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   268.000  1.529
   60    80   320.000  1.410
   60    63   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   317.000  1.522
   78    79   570.000  1.229
   78    80   214.000  1.327
   70    71   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  112.02700
   33    48    49    58.35000  112.70000
   33    48    51    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    44    45    40.00000  120.50800
   42    44    46    70.00000  117.34000
   44    42    43    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  124.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.02700
   46    48    51    70.00000  112.02700
   48    33    37    70.00000  112.02700
   48    46    47    35.00000  117.00000
   48    49    50    50.00000  109.50000
   48    49    55    63.00000  111.10000
   48    49    70    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   49    55    56    80.00000  120.40000
   49    55    57    70.00000  116.00000
   49    70    61    58.35000  112.70000
   49    70    71    37.50000  110.70000
   49    70    75    58.35000  112.70000
   55    49    50    85.00000  109.55300
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    63.00000  111.10000
   57    55    56    80.00000  120.40000
   57    60    61    58.35000  112.70000
   57    60    80    50.00000  109.50000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    61    62    37.50000  110.70000
   60    61    67    58.35000  112.70000
   60    61    70    58.35000  112.70000
   60    80    78    83.00000  116.90000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    72    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    75    58.35000  112.70000
   67    61    62    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    78    63.00000  111.10000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    78    79    80.00000  120.40000
   72    78    80    81.00000  111.40000
   74    72    73    33.00000  107.80000
   78    72    73    35.00000  109.50000
   78    72    74    35.00000  109.50000
   80    60    61    50.00000  109.50000
   80    78    79    83.00000  123.40000
   70    49    50    50.00000  109.50000
   70    49    55    63.00000  111.10000
   70    61    62    37.50000  110.70000
   70    61    67    58.35000  112.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    39    58.35000  112.70000
   75    70    71    37.50000  110.70000
   75    39    40    37.50000  110.70000
   75    39    41    37.50000  110.70000
   77    75    76    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    75    76    37.50000  110.70000
   39    75    77    37.50000  110.70000
   41    39    40    33.00000  107.80000
   63    60    61    58.35000  112.70000
   63    60    80    50.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    48    46   0.56750  1.0 1.0
   29    33    48    46  -0.07550 -1.0 2.0
   29    33    48    46   0.20000  1.0 3.0
   29    33    48    49   0.44750  1.0 1.0
   29    33    48    49  -0.17800 -1.0 2.0
   29    33    48    49   0.20200  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   29    33    39    75   0.44750  1.0 1.0
   29    33    39    75  -0.17800 -1.0 2.0
   29    33    39    75   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    48    49    50   0.39650  1.0 1.0
   33    48    49    50  -0.18350 -1.0 2.0
   33    48    49    50   0.41450  1.0 3.0
   33    48    49    55  -0.95700  1.0 1.0
   33    48    49    55  -0.18200 -1.0 2.0
   33    48    49    55   0.29450  1.0 3.0
   33    48    49    70   0.56750  1.0 1.0
   33    48    49    70  -0.07550 -1.0 2.0
   33    48    49    70   0.20000  1.0 3.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    54   0.15000  1.0 3.0
   37    33    48    46   0.31000  1.0 1.0
   37    33    48    46   0.14700 -1.0 2.0
   37    33    48    46   0.07550  1.0 3.0
   37    33    48    49   0.34400  1.0 1.0
   37    33    48    49   0.09450 -1.0 2.0
   37    33    48    49   0.11100  1.0 3.0
   37    33    48    51   0.34400  1.0 1.0
   37    33    48    51   0.09450 -1.0 2.0
   37    33    48    51   0.11100  1.0 3.0
   37    33    39    75   0.34400  1.0 1.0
   37    33    39    75   0.09450 -1.0 2.0
   37    33    39    75   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   7.00000 -1.0 2.0
   37    42   -44    46   7.00000 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    46    47   7.00000 -1.0 2.0
   42    44    46    48   7.00000 -1.0 2.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46   -48    33   0.09850  1.0 1.0
   44    46   -48    33   0.15250 -1.0 2.0
   44    46   -48    33  -0.50650  1.0 3.0
   44    46    48    49   0.09850  1.0 1.0
   44    46    48    49   0.15250 -1.0 2.0
   44    46    48    49  -0.50650  1.0 3.0
   44    46    48    51   0.09850  1.0 1.0
   44    46    48    51   0.15250 -1.0 2.0
   44    46    48    51  -0.50650  1.0 3.0
   45    44    46    47   7.00000 -1.0 2.0
   45    44    46    48   7.00000 -1.0 2.0
   46    48    49    50   0.54900  1.0 1.0
   46    48    49    50  -0.20450 -1.0 2.0
   46    48    49    50   0.19250  1.0 3.0
   46    48    49    55  -0.98800  1.0 1.0
   46    48    49    55   0.48800 -1.0 2.0
   46    48    49    55   0.76800  1.0 3.0
   46    48    49    70   0.34400  1.0 1.0
   46    48    49    70   0.09450 -1.0 2.0
   46    48    49    70   0.11100  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   46    48    51    54   0.15000  1.0 3.0
   47    46    48    33   0.00000  1.0 1.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    51   0.00000  1.0 1.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    42   0.09850  1.0 1.0
   48    33   -37    42   0.15250 -1.0 2.0
   48    33   -37    42  -0.50650  1.0 3.0
   48    33    39    75   0.56750  1.0 1.0
   48    33    39    75  -0.07550 -1.0 2.0
   48    33    39    75   0.20000  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    49    55    56   0.30150 -1.0 2.0
   48    49    55    57   0.60050  1.0 1.0
   48    49    55    57   0.05600 -1.0 2.0
   48    49    55    57   0.26150  1.0 3.0
   48    49    70    61   0.56750  1.0 1.0
   48    49    70    61  -0.07550 -1.0 2.0
   48    49    70    61   0.20000  1.0 3.0
   48    49    70    71   0.15000  1.0 3.0
   48    49   -70    75   0.56750  1.0 1.0
   48    49   -70    75  -0.07550 -1.0 2.0
   48    49   -70    75   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   49    55    57    58   0.00000  1.0 1.0
   49    55    57    59   0.00000  1.0 1.0
   49    55    57    60   0.60050  1.0 1.0
   49    55    57    60   0.05600 -1.0 2.0
   49    55    57    60   0.26150  1.0 3.0
   49    70    75    76   0.15000  1.0 3.0
   49    70    75    77   0.15000  1.0 3.0
   49    70    75    39   0.56750  1.0 1.0
   49    70    75    39  -0.07550 -1.0 2.0
   49    70    75    39   0.20000  1.0 3.0
   50    49    55    56   0.30150 -1.0 2.0
   50    49    55    57   0.65300  1.0 1.0
   50    49    55    57  -0.03850 -1.0 2.0
   50    49    55    57   0.33900  1.0 3.0
   50    49    70    61   0.39650  1.0 1.0
   50    49    70    61  -0.18350 -1.0 2.0
   50    49    70    61   0.41450  1.0 3.0
   50    49    70    71   0.22100  1.0 3.0
   50    49    70    75   0.39650  1.0 1.0
   50    49    70    75  -0.18350 -1.0 2.0
   50    49    70    75   0.41450  1.0 3.0
   55    49    70    61  -0.95700  1.0 1.0
   55    49    70    61  -0.18200 -1.0 2.0
   55    49    70    61   0.29450  1.0 3.0
   55    49    70    71  -0.11250  1.0 3.0
   55    49    70    75  -0.95700  1.0 1.0
   55    49    70    75  -0.18200 -1.0 2.0
   55    49    70    75   0.29450  1.0 3.0
   55    57   -60    61  -0.95700  1.0 1.0
   55    57   -60    61  -0.18200 -1.0 2.0
   55    57   -60    61   0.29450  1.0 3.0
   55    57    60    80  -0.09450  1.0 1.0
   55    57    60    80  -1.12950 -1.0 2.0
   55    57    60    80   0.54000  1.0 3.0
   55    57    60    63  -0.95700  1.0 1.0
   55    57    60    63  -0.18200 -1.0 2.0
   55    57    60    63   0.29450  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    57    60   0.30150 -1.0 2.0
   57    60    61    62   0.15000  1.0 3.0
   57    60    61    67   0.56750  1.0 1.0
   57    60    61    67  -0.07550 -1.0 2.0
   57    60    61    67   0.20000  1.0 3.0
   57    60    61    70   0.56750  1.0 1.0
   57    60    61    70  -0.07550 -1.0 2.0
   57    60    61    70   0.20000  1.0 3.0
   57    60    80    78  -0.25900  1.0 1.0
   57    60    80    78  -0.47000 -1.0 2.0
   57    60    80    78   0.11750  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    66   0.15000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    80   0.23400  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    80   0.23400  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    61    67    68   0.15000  1.0 3.0
   60    61    67    69   0.15000  1.0 3.0
   60    61    67    72   0.56750  1.0 1.0
   60    61    67    72  -0.07550 -1.0 2.0
   60    61    67    72   0.20000  1.0 3.0
   60    61   -70    49   0.56750  1.0 1.0
   60    61   -70    49  -0.07550 -1.0 2.0
   60    61   -70    49   0.20000  1.0 3.0
   60    61    70    71   0.15000  1.0 3.0
   60    61    70    75   0.56750  1.0 1.0
   60    61    70    75  -0.07550 -1.0 2.0
   60    61    70    75   0.20000  1.0 3.0
   61    60    80    78  -0.25900  1.0 1.0
   61    60    80    78  -0.47000 -1.0 2.0
   61    60    80    78   0.11750  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    67    72    73   0.15000  1.0 3.0
   61    67    72    74   0.15000  1.0 3.0
   61    67   -72    78  -0.95700  1.0 1.0
   61    67   -72    78  -0.18200 -1.0 2.0
   61    67   -72    78   0.29450  1.0 3.0
   61    70    75    76   0.15000  1.0 3.0
   61    70    75    77   0.15000  1.0 3.0
   61    70    75    39   0.56750  1.0 1.0
   61    70    75    39  -0.07550 -1.0 2.0
   61    70    75    39   0.20000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    72   0.15000  1.0 3.0
   62    61    70    49   0.15000  1.0 3.0
   62    61    70    71   0.15000  1.0 3.0
   62    61    70    75   0.15000  1.0 3.0
   67    61    70    49   0.56750  1.0 1.0
   67    61    70    49  -0.07550 -1.0 2.0
   67    61    70    49   0.20000  1.0 3.0
   67    61    70    71   0.15000  1.0 3.0
   67    61    70    75   0.56750  1.0 1.0
   67    61    70    75  -0.07550 -1.0 2.0
   67    61    70    75   0.20000  1.0 3.0
   67    72    78    79   0.30150 -1.0 2.0
   67    72    78    80   0.36750  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    78  -0.11250  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    78  -0.11250  1.0 3.0
   72    78   -80    60   1.63150  1.0 1.0
   72    78   -80    60   2.92000 -1.0 2.0
   73    72    78    79   0.00000  1.0 1.0
   73    72    78    80   0.00000  1.0 1.0
   74    72    78    79   0.00000  1.0 1.0
   74    72    78    80   0.00000  1.0 1.0
   79    78    80    60   3.00000 -1.0 2.0
   80    60    61    62   0.23400  1.0 3.0
   80    60   -61    67   0.62750  1.0 1.0
   80    60   -61    67  -0.30950 -1.0 2.0
   80    60   -61    67   0.27300  1.0 3.0
   80    60    61    70   0.62750  1.0 1.0
   80    60    61    70  -0.30950 -1.0 2.0
   80    60    61    70   0.27300  1.0 3.0
   80    60    63    64   0.23400  1.0 3.0
   80    60    63    65   0.23400  1.0 3.0
   80    60    63    66   0.23400  1.0 3.0
   70    49    55    56   0.30150 -1.0 2.0
   70    49   -55    57   0.60050  1.0 1.0
   70    49   -55    57   0.05600 -1.0 2.0
   70    49   -55    57   0.26150  1.0 3.0
   70    61    67    68   0.15000  1.0 3.0
   70    61    67    69   0.15000  1.0 3.0
   70    61    67    72   0.56750  1.0 1.0
   70    61    67    72  -0.07550 -1.0 2.0
   70    61    67    72   0.20000  1.0 3.0
   70    75   -39    33   0.56750  1.0 1.0
   70    75   -39    33  -0.07550 -1.0 2.0
   70    75   -39    33   0.20000  1.0 3.0
   70    75    39    40   0.15000  1.0 3.0
   70    75    39    41   0.15000  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    39   0.15000  1.0 3.0
   76    75    39    33   0.15000  1.0 3.0
   76    75    39    40   0.15000  1.0 3.0
   76    75    39    41   0.15000  1.0 3.0
   77    75    39    33   0.15000  1.0 3.0
   77    75    39    40   0.15000  1.0 3.0
   77    75    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    48    46   0.34400  1.0 1.0
   39    33    48    46   0.09450 -1.0 2.0
   39    33    48    46   0.11100  1.0 3.0
   39    33   -48    49   0.56750  1.0 1.0
   39    33   -48    49  -0.07550 -1.0 2.0
   39    33   -48    49   0.20000  1.0 3.0
   39    33    48    51   0.56750  1.0 1.0
   39    33    48    51  -0.07550 -1.0 2.0
   39    33    48    51   0.20000  1.0 3.0
   63    60    61    62   0.15000  1.0 3.0
   63    60    61    67   0.56750  1.0 1.0
   63    60    61    67  -0.07550 -1.0 2.0
   63    60    61    67   0.20000  1.0 3.0
   63    60    61    70   0.56750  1.0 1.0
   63    60    61    70  -0.07550 -1.0 2.0
   63    60    61    70   0.20000  1.0 3.0
   63    60    80    78  -0.25900  1.0 1.0
   63    60    80    78  -0.47000 -1.0 2.0
   63    60    80    78   0.11750  1.0 3.0
   51    48    49    50   0.39650  1.0 1.0
   51    48    49    50  -0.18350 -1.0 2.0
   51    48    49    50   0.41450  1.0 3.0
   51    48    49    55  -0.95700  1.0 1.0
   51    48    49    55  -0.18200 -1.0 2.0
   51    48    49    55   0.29450  1.0 3.0
   51    48    49    70   0.56750  1.0 1.0
   51    48    49    70  -0.07550 -1.0 2.0
   51    48    49    70   0.20000  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    57    55    56  10.50000 -1.0 2.0
   72    80    78    79  10.50000 -1.0 2.0
END
