* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    147    228     432
    1     0 S   NP   _N1_     1    28.61994    95.52139   -22.98916
    2     1 S   H    _HN1     2     1.02777   100.79084  -104.88889
    3     1 S   H    _H1_     3     1.02956    81.18799     2.23011
    4     1 S   H    _H2_     4     1.02833    31.22021   148.31105
    5     1 S   CT   _CA1     5     1.50158   138.10318   113.01503
    6     5 S   HC   _HA1     6     1.09575   105.20254    78.00192
    7     5 S   CO3  _C1_     7     1.53810   112.18762   -42.16092
    8     7 S   O2Z  _O11     8     1.26378   114.98174   -46.40763
    9     7 S   O2Z  _O12     9     1.26219   114.95578   132.39481
   10     5 S   CT   _CB1    10     1.53082   107.36739  -164.12460
   11    10 S   HC   HB11    11     1.09833   109.42611   -49.82658
   12    10 S   HC   HB12    12     1.09812   110.42770    66.76747
   13    10 S   CT   _CG1    13     1.53002   112.61034  -170.80104
   14    13 S   HC   HG11    14     1.09572   110.43837   -64.47234
   15    13 S   HC   HG12    15     1.09646   109.85548    54.81648
   16    13 S   C    _CD1    16     1.51811   112.20001   175.42157
   17    16 S   O    _OE1    17     1.22759   123.14033     6.16936
   18    16 S   N    _N2_    18     1.38624   111.91559  -173.98477
   19    18 S   H    _HN2    19     1.01622   118.87735     2.38770
   20    18 S   CT1  _CA2    20     1.46198   123.39757  -178.95657
   21    20 S   HC   _HA2    21     1.09745   109.14772     7.68069
   22    20 S   C    _C2_    22     1.53542   108.71393  -108.10588
   23    22 S   O    _O2_    23     1.23068   122.13907  -141.72230
   24    20 S   CT   _CB2    32     1.53641   112.05835   129.27584
   25    24 S   HC   HB21    33     1.09436   110.11229    63.35729
   26    24 S   HC   HB22    34     1.09445   108.96427  -178.44669
   27    22 S   N    _N3_    24     1.38471   113.70529    45.31259
   28    27 S   H    _HN3    25     1.01467   119.09769     0.30001
   29    24 S   S    _SG2    35     1.82911   111.54738   -58.73906
   30    27 S   CT   _CA3    26     1.45461   123.41676   175.79844
   31    30 S   HC   HA31    27     1.09525   109.29438    24.08272
   32    30 S   HC   HA32    28     1.09504   107.11157   141.04038
   33    29 S   CT   _C17    36     1.85914   101.73210   171.11759
   34    30 S   CO3  _C3_    29     1.52908   113.02688   -99.46364
   35    34 S   O2Z  _O31    30     1.26414   115.33578   -47.57203
   36    34 S   O2Z  _O32    31     1.26353   115.04356   133.36756
   37    33 S   CT   _C12    37     1.57646   117.53315   -61.76424
   38    37 S   HC   _H30    38     1.09780   107.64998    87.88623
   39    33 S   CT   _C20    74     1.55938   106.98695    60.81309
   40    39 S   HC   _H41    75     1.09636   112.28043    50.19460
   41    39 S   HC   _H42    76     1.09544   111.48884   -70.68290
   42    39 S   HC   _H43    77     1.09527   112.30609   170.80298
   43    37 S   CM   _C4_    39     1.53296   102.02743  -155.87011
   44    37 S   CT   _C15    52     1.54993   121.39045   -38.04874
   45    44 S   HC   _H33    53     1.10093   109.65960   -74.57873
   46    43 S   CM   _C5_    40     1.34754   125.05843  -165.91607
   47    43 S   CT   _C10    68     1.51197   110.24799    17.69711
   48    47 S   HC   _H26    69     1.09716   111.65936   128.24125
   49    47 S   HC   _H27    70     1.09862   109.34677  -112.00450
   50    46 S   CT   _C11    41     1.50641   121.60810    -0.15323
   51    50 S   HC   _H28    42     1.09840   110.10757    58.25896
   52    50 S   HC   _H29    43     1.09801   109.20922   171.55638
   53    46 S   CT   _C18    64     1.50533   123.63666  -179.17528
   54    53 S   HC   _H35    65     1.09507   110.03291   117.88390
   55    53 S   HC   _H36    66     1.09303   113.43447    -2.76626
   56    53 S   HC   _H37    67     1.09528   110.04437  -122.67206
   57    33 S   CT   _C14    71     1.57181   108.88555  -176.40904
   58    57 S   OM   _O18    72     1.32302   113.34861   -74.80740
   59    57 S   HC   _H32    73     1.10292   106.60407    57.57427
   60    50 S   CT   _C16    44     1.54000   113.67062   -66.08199
   61    60 S   HC   _H34    45     1.09807   111.18784   -47.50211
   62    60 S   CT   _C13    46     1.53706   112.18486    76.00945
   63    62 S   HC   _H31    47     1.10136   108.09131    61.23955
   64    60 S   OS   _O22    57     1.45251   106.54003  -167.01756
   65    62 S   CM   _C6_    48     1.49697   118.53506  -179.12107
   66    64 S   CO4  _C9_    58     1.36349   117.36742    86.13805
   67    66 S   O    _O20    59     1.22302   126.37381    -0.21122
   68    65 S   CO4  _C7_    49     1.47918   106.57698   159.23010
   69    68 S   O    _O19    50     1.21667   127.42792   161.90143
   70    65 S   CM   _C8_    54     1.33517   132.47397   -18.14411
   71    70 S   HC   _H24    55     1.08289   121.90413    -1.23067
   72    70 S   HC   _H25    56     1.08581   121.36758   178.47916
   73    66 S   CT   _C19    60     1.49826   109.48986   179.78694
   74    73 S   HC   _H38    61     1.09293   109.82135   -60.84163
   75    73 S   HC   _H39    62     1.09377   109.36157  -179.87646
   76    73 S   HC   _H40    63     1.09288   109.82633    61.06772
   77    68 S   OS   _O21    51     1.36434   106.42566   -15.66697
  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  13   5   4   3
  18   2   1   1  23   9   9   3   2   1  19  15   6  15   7   4
   3  13   6   5   4   2   1   1   2   1   1  11   5  10   5   7
   6   5   4   5   2   3   1   1   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    44    47    57    58    59    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    46    62    77    44    45    47    48    49    57    58    59    39    40    41    42  
   35    36  
   36  
    0  
   38    43    46    50    60    62    63    65    68    77    44    45    53    47    48    49    57    58    59    39    40    41    42  
   43    46    62    77    44    45    47    57    39  
   40    41    42    43    44    47    57    58    59  
   41    42    57  
   42    57  
   57  
   46    50    51    52    60    62    77    44    45    53    54    55    56    47    48    49    57    58    59  
   45    70    64    47    57    46    50    60    61    62    63    65    68    69    77  
   60    62    63    65    68    77  
   50    51    52    60    61    62    64    53    54    55    56    47    48    49    57  
   48    49    57    58    59    50    53  
   49    57    58    59  
   57    58    59  
   51    52    60    61    62    63    65    64    66    53    54    55    56  
   52    60    61    62    64    53  
   60    61    62    64    53  
   54    55    56    60  
   55    56  
   56  
    0  
   58    59  
   59  
    0  
   61    62    63    65    68    77    70    64    66    67    73  
   62    63    65    64    66  
   63    65    68    69    77    70    71    72    64    66  
   65    68    77    70    64  
   66    67    73    74    75    76    65  
   68    69    77    70    71    72  
   67    73    74    75    76  
   73    74    75    76  
   69    77    70    71    72  
   77    70  
   71    72    77  
   72  
    0  
   74    75    76  
   75    76  
   76  
    0  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   59   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   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   268.000  1.529
   33    57   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.510
   37    44   268.000  1.529
   43    46   549.000  1.340
   43    47   317.000  1.510
   46    50   317.000  1.510
   46    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    65   317.000  1.510
   62    44   268.000  1.529
   65    68   320.000  1.462
   65    70   549.000  1.340
   68    69   570.000  1.229
   68    77   214.000  1.327
   77    44   320.000  1.410
   44    45   340.000  1.090
   70    71   340.000  1.080
   70    72   340.000  1.080
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    57   268.000  1.529
   57    58   570.000  1.307
   57    59   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    70.00000  112.02700
   33    37    44    58.35000  112.70000
   33    57    47    58.35000  112.70000
   33    57    58    50.00000  109.50000
   33    57    59    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    46    70.00000  124.00000
   37    43    47    65.00000  117.92700
   37    44    62    58.35000  112.70000
   37    44    77    50.00000  109.50000
   37    44    45    37.50000  110.70000
   43    37    38    35.00000  109.50000
   43    46    50    70.00000  124.00000
   43    46    53    70.00000  124.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    57    70.00000  112.02700
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    60    70.00000  112.02700
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    56    35.00000  109.50000
   50    60    61    37.50000  110.70000
   50    60    62    58.35000  112.70000
   50    60    64    50.00000  109.50000
   52    50    51    33.00000  107.80000
   60    50    51    37.50000  110.70000
   60    50    52    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    65    70.00000  112.02700
   60    62    44    58.35000  112.70000
   60    64    66    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    65    68    65.00000  116.34900
   62    65    70    70.00000  124.00000
   62    44    77    50.00000  109.50000
   62    44    45    37.50000  110.70000
   65    62    63    35.00000  109.50000
   65    68    69    80.00000  123.72100
   65    68    77    90.00000  111.29400
   65    70    71    35.00000  120.00000
   65    70    72    35.00000  120.00000
   68    77    44    83.00000  116.90000
   77    68    69    83.00000  123.40000
   77    44    45    35.00000  109.50000
   44    37    38    37.50000  110.70000
   44    37    43    70.00000  112.02700
   44    62    63    37.50000  110.70000
   44    62    65    70.00000  112.02700
   70    65    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   64    66    67    83.00000  123.40000
   64    66    73    81.00000  111.40000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   73    66    67    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   53    46    50    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   47    43    46    70.00000  124.00000
   47    57    58    50.00000  109.50000
   47    57    59    37.50000  110.70000
   49    47    48    33.00000  107.80000
   57    33    37    58.35000  112.70000
   57    47    48    37.50000  110.70000
   57    47    49    37.50000  110.70000
   59    57    58    45.00000  125.66300
   39    33    37    58.35000  112.70000
   39    33    57    58.35000  112.70000
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    57    47   0.44750  1.0 1.0
   29    33    57    47  -0.17800 -1.0 2.0
   29    33    57    47   0.20200  1.0 3.0
   29    33    57    58   0.56750  1.0 1.0
   29    33    57    58  -0.07550 -1.0 2.0
   29    33    57    58   0.20000  1.0 3.0
   29    33    57    59   0.15000  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    37    43    46   0.09850  1.0 1.0
   33    37    43    46   0.15250 -1.0 2.0
   33    37    43    46  -0.50650  1.0 3.0
   33    37   -43    47   0.46850  1.0 1.0
   33    37   -43    47   0.08550 -1.0 2.0
   33    37   -43    47   0.09800  1.0 3.0
   33    37    44    62   0.56750  1.0 1.0
   33    37    44    62  -0.07550 -1.0 2.0
   33    37    44    62   0.20000  1.0 3.0
   33    37    44    77   0.62750  1.0 1.0
   33    37    44    77  -0.30950 -1.0 2.0
   33    37    44    77   0.27300  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   37    33   -57    47   0.56750  1.0 1.0
   37    33   -57    47  -0.07550 -1.0 2.0
   37    33   -57    47   0.20000  1.0 3.0
   37    33    57    58   0.62750  1.0 1.0
   37    33    57    58  -0.30950 -1.0 2.0
   37    33    57    58   0.27300  1.0 3.0
   37    33    57    59   0.15000  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    33    39    42   0.15000  1.0 3.0
   37    43    46    50   7.00000 -1.0 2.0
   37    43    46    53   7.00000 -1.0 2.0
   37    43    47    48   0.34800  1.0 3.0
   37    43    47    49   0.34800  1.0 3.0
   37    43   -47    57   0.46850  1.0 1.0
   37    43   -47    57   0.08550 -1.0 2.0
   37    43   -47    57   0.09800  1.0 3.0
   38    37    43    46   0.00000  1.0 1.0
   38    37    43    47   0.34800  1.0 3.0
   38    37    44    62   0.15000  1.0 3.0
   38    37    44    77   0.23400  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   43    37    44    62   0.34400  1.0 1.0
   43    37    44    62   0.09450 -1.0 2.0
   43    37    44    62   0.11100  1.0 3.0
   43    37    44    77   0.61850  1.0 1.0
   43    37    44    77  -0.22750 -1.0 2.0
   43    37    44    77   0.15300  1.0 3.0
   43    37    44    45   0.15000  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    52   0.00000  1.0 1.0
   43    46    50    60   0.09850  1.0 1.0
   43    46    50    60   0.15250 -1.0 2.0
   43    46    50    60  -0.50650  1.0 3.0
   43    46    53    54   0.00000  1.0 1.0
   43    46    53    55   0.00000  1.0 1.0
   43    46    53    56   0.00000  1.0 1.0
   43    47   -57    33   0.34400  1.0 1.0
   43    47   -57    33   0.09450 -1.0 2.0
   43    47   -57    33   0.11100  1.0 3.0
   43    47    57    58   0.61850  1.0 1.0
   43    47    57    58  -0.22750 -1.0 2.0
   43    47    57    58   0.15300  1.0 3.0
   43    47    57    59   0.15000  1.0 3.0
   46    43    47    48   0.00000  1.0 1.0
   46    43    47    49   0.00000  1.0 1.0
   46    43    47    57   0.09850  1.0 1.0
   46    43    47    57   0.15250 -1.0 2.0
   46    43    47    57  -0.50650  1.0 3.0
   46    50    60    61   0.15000  1.0 3.0
   46    50    60    62   0.34400  1.0 1.0
   46    50    60    62   0.09450 -1.0 2.0
   46    50    60    62   0.11100  1.0 3.0
   46    50    60    64   0.61850  1.0 1.0
   46    50    60    64  -0.22750 -1.0 2.0
   46    50    60    64   0.15300  1.0 3.0
   50    46    53    54   0.34800  1.0 3.0
   50    46    53    55   0.34800  1.0 3.0
   50    46    53    56   0.34800  1.0 3.0
   50    60    62    63   0.15000  1.0 3.0
   50    60    62    65   0.34400  1.0 1.0
   50    60    62    65   0.09450 -1.0 2.0
   50    60    62    65   0.11100  1.0 3.0
   50    60    62    44   0.56750  1.0 1.0
   50    60    62    44  -0.07550 -1.0 2.0
   50    60    62    44   0.20000  1.0 3.0
   50    60    64    66  -0.25900  1.0 1.0
   50    60    64    66  -0.47000 -1.0 2.0
   50    60    64    66   0.11750  1.0 3.0
   51    50    60    61   0.15000  1.0 3.0
   51    50    60    62   0.15000  1.0 3.0
   51    50    60    64   0.23400  1.0 3.0
   52    50    60    61   0.15000  1.0 3.0
   52    50    60    62   0.15000  1.0 3.0
   52    50    60    64   0.23400  1.0 3.0
   60    62    65    68   0.09700  1.0 1.0
   60    62    65    68   0.15600 -1.0 2.0
   60    62    65    68  -0.50800  1.0 3.0
   60    62    65    70   0.09850  1.0 1.0
   60    62    65    70   0.15250 -1.0 2.0
   60    62    65    70  -0.50650  1.0 3.0
   60    62    44    37   0.56750  1.0 1.0
   60    62    44    37  -0.07550 -1.0 2.0
   60    62    44    37   0.20000  1.0 3.0
   60    62    44    77   0.62750  1.0 1.0
   60    62    44    77  -0.30950 -1.0 2.0
   60    62    44    77   0.27300  1.0 3.0
   60    62    44    45   0.15000  1.0 3.0
   60    64    66    67   3.00000 -1.0 2.0
   60    64    66    73   1.63150  1.0 1.0
   60    64    66    73   2.92000 -1.0 2.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    44   0.15000  1.0 3.0
   61    60    64    66   0.08050  1.0 3.0
   62    60    64    66  -0.25900  1.0 1.0
   62    60    64    66  -0.47000 -1.0 2.0
   62    60    64    66   0.11750  1.0 3.0
   62    65    68    69  -0.64400  1.0 1.0
   62    65    68    69   0.26850 -1.0 2.0
   62    65   -68    77  -0.15000  1.0 1.0
   62    65   -68    77   0.89550 -1.0 2.0
   62    65   -68    77  -0.06900  1.0 3.0
   62    65    70    71   7.00000 -1.0 2.0
   62    65    70    72   7.00000 -1.0 2.0
   63    62    65    68   0.15000  1.0 3.0
   63    62    65    70   0.00000  1.0 1.0
   63    62    44    37   0.15000  1.0 3.0
   63    62    44    77   0.23400  1.0 3.0
   63    62    44    45   0.15000  1.0 3.0
   65    62    44    37   0.34400  1.0 1.0
   65    62    44    37   0.09450 -1.0 2.0
   65    62    44    37   0.11100  1.0 3.0
   65    62   -44    77   0.61850  1.0 1.0
   65    62   -44    77  -0.22750 -1.0 2.0
   65    62   -44    77   0.15300  1.0 3.0
   65    62    44    45   0.15000  1.0 3.0
   65    68   -77    44   2.00000 -1.0 2.0
   68    65    70    71   7.00000 -1.0 2.0
   68    65    70    72   7.00000 -1.0 2.0
   68    77    44    37  -0.25900  1.0 1.0
   68    77    44    37  -0.47000 -1.0 2.0
   68    77    44    37   0.11750  1.0 3.0
   68    77   -44    62  -0.25900  1.0 1.0
   68    77   -44    62  -0.47000 -1.0 2.0
   68    77   -44    62   0.11750  1.0 3.0
   68    77    44    45   0.08050  1.0 3.0
   69    68    77    44   3.00000 -1.0 2.0
   44    37    43    46   0.09850  1.0 1.0
   44    37    43    46   0.15250 -1.0 2.0
   44    37    43    46  -0.50650  1.0 3.0
   44    37    43    47   0.46850  1.0 1.0
   44    37    43    47   0.08550 -1.0 2.0
   44    37    43    47   0.09800  1.0 3.0
   44    62   -65    68   0.09700  1.0 1.0
   44    62   -65    68   0.15600 -1.0 2.0
   44    62   -65    68  -0.50800  1.0 3.0
   44    62    65    70   0.09850  1.0 1.0
   44    62    65    70   0.15250 -1.0 2.0
   44    62    65    70  -0.50650  1.0 3.0
   70    65    68    69   1.00000 -1.0 2.0
   70    65    68    77  -0.56150  1.0 1.0
   70    65    68    77   2.19150 -1.0 2.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    65   0.61850  1.0 1.0
   64    60    62    65  -0.22750 -1.0 2.0
   64    60    62    65   0.15300  1.0 3.0
   64    60    62    44   0.62750  1.0 1.0
   64    60    62    44  -0.30950 -1.0 2.0
   64    60    62    44   0.27300  1.0 3.0
   64    66    73    74   0.00000  1.0 1.0
   64    66    73    75   0.00000  1.0 1.0
   64    66    73    76   0.00000  1.0 1.0
   67    66    73    74   0.00000  1.0 1.0
   67    66    73    75   0.00000  1.0 1.0
   67    66    73    76   0.00000  1.0 1.0
   53    46    50    51   0.34800  1.0 3.0
   53    46    50    52   0.34800  1.0 3.0
   53    46    50    60   0.46850  1.0 1.0
   53    46    50    60   0.08550 -1.0 2.0
   53    46    50    60   0.09800  1.0 3.0
   47    43    46    50   7.00000 -1.0 2.0
   47    43    46    53   7.00000 -1.0 2.0
   48    47    57    33   0.15000  1.0 3.0
   48    47    57    58   0.23400  1.0 3.0
   48    47    57    59   0.15000  1.0 3.0
   49    47    57    33   0.15000  1.0 3.0
   49    47    57    58   0.23400  1.0 3.0
   49    47    57    59   0.15000  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33   -37    43   0.34400  1.0 1.0
   57    33   -37    43   0.09450 -1.0 2.0
   57    33   -37    43   0.11100  1.0 3.0
   57    33    37    44   0.56750  1.0 1.0
   57    33    37    44  -0.07550 -1.0 2.0
   57    33    37    44   0.20000  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    42   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.34400  1.0 1.0
   39    33    37    43   0.09450 -1.0 2.0
   39    33    37    43   0.11100  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    57    47   0.56750  1.0 1.0
   39    33    57    47  -0.07550 -1.0 2.0
   39    33    57    47   0.20000  1.0 3.0
   39    33    57    58   0.62750  1.0 1.0
   39    33    57    58  -0.30950 -1.0 2.0
   39    33    57    58   0.27300  1.0 3.0
   39    33    57    59   0.15000  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
   37    47    43    46   1.10000 -1.0 2.0
   50    53    46    43   1.10000 -1.0 2.0
   62    68    65    70   1.10000 -1.0 2.0
   65    77    68    69  10.50000 -1.0 2.0
   71    72    70    65   1.10000 -1.0 2.0
   64    73    66    67  10.50000 -1.0 2.0
END
