* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    158    247     456
    1     0 S   NP   _N1_     1    28.79209    95.87886   -24.74737
    2     1 S   H    _HN1     2     1.02948    73.85524     7.92258
    3     1 S   H    _H1_     3     1.02828    33.68978   178.15199
    4     1 S   H    _H2_     4     1.02788   114.01203   -95.39313
    5     1 S   CT   _CA1     5     1.50121   129.02070   111.35500
    6     5 S   HC   _HA1     6     1.09574   105.17384    92.28792
    7     5 S   CO3  _C1_     7     1.53776   112.48311   -27.91698
    8     7 S   O2Z  _O11     8     1.26372   115.00230   -42.05142
    9     7 S   O2Z  _O12     9     1.26240   114.94288   137.02700
   10     5 S   CT   _CB1    10     1.53071   107.41275  -149.74074
   11    10 S   HC   HB11    11     1.09836   109.33099   -49.63642
   12    10 S   HC   HB12    12     1.09811   110.46771    66.96301
   13    10 S   CT   _CG1    13     1.53000   112.62636  -170.60338
   14    13 S   HC   HG11    14     1.09577   110.67116   -66.77812
   15    13 S   HC   HG12    15     1.09672   109.74265    52.45896
   16    13 S   C    _CD1    16     1.51808   112.14531   172.90052
   17    16 S   O    _OE1    17     1.22740   123.25465     9.30825
   18    16 S   N    _N2_    18     1.38663   111.73165  -170.73620
   19    18 S   H    _HN2    19     1.01576   118.93102     1.43504
   20    18 S   CT1  _CA2    20     1.46189   123.36032   176.69963
   21    20 S   HC   _HA2    21     1.09738   109.33644     4.53138
   22    20 S   C    _C2_    22     1.53592   108.65421  -110.92837
   23    22 S   O    _O2_    23     1.23064   122.26285  -147.90175
   24    20 S   CT   _CB2    32     1.53266   111.67007   126.55321
   25    24 S   HC   HB21    33     1.09593   110.33566    56.26707
   26    24 S   HC   HB22    34     1.09535   110.16151   175.45184
   27    22 S   N    _N3_    24     1.38320   113.75491    39.53536
   28    27 S   H    _HN3    25     1.01570   119.60540    -3.21291
   29    24 S   S    _SG2    35     1.82566   111.72746   -64.71804
   30    27 S   CT   _CA3    26     1.45285   123.25270   177.19334
   31    30 S   HC   HA31    27     1.09548   107.50635   -64.85367
   32    30 S   HC   HA32    28     1.09556   107.99997    51.59922
   33    29 S   CT   _C22    36     1.82683    98.59614  -178.89624
   34    33 S   HC   _H3_    37     1.09542   107.88794   -60.63071
   35    33 S   HC   _H4_    38     1.09040   106.90643    55.22206
   36    30 S   CO3  _C3_    29     1.52971   114.05129   173.59991
   37    36 S   O2Z  _O31    30     1.26381   116.06943    -0.62807
   38    36 S   O2Z  _O32    31     1.26426   114.41610   179.43179
   39    33 S   CT   _C14    39     1.53636   110.70240   177.26262
   40    39 S   HC   _H36    40     1.09624   112.64487   -38.99497
   41    39 S   CO4  _C7_    41     1.50784   108.78679    82.98608
   42    41 S   O    _O21    42     1.22065   126.06369   -81.97926
   43    41 S   OS   _O24    43     1.36503   109.51178    95.88776
   44    43 S   CT   _C16    44     1.44267   110.37148     2.95896
   45    44 S   HC   _H38    45     1.09467   107.36522   -95.22731
   46    39 S   CT   _C15    46     1.54810   115.86887  -165.01449
   47    46 S   HC   _H37    47     1.10130   105.74769   167.30420
   48    44 S   C3T  _C17    62     1.49280   107.60625   144.30111
   49    48 S   HC   _H39    63     1.08170   112.65244   -81.93000
   50    46 S   CT   _C18    48     1.55475   114.91842    49.05761
   51    50 S   HC   _H40    49     1.09686   109.10176   -79.85332
   52    76 S   O3T  _O25    64     1.43366   115.75318  -139.15803
   53    50 S   CT   _C11    50     1.54952   115.83399   154.18216
   54    53 S   HC   _H31    51     1.09833   108.71932   -50.22840
   55    53 S   HC   _H32    52     1.09788   109.56040  -163.74923
   56    50 S   OS   _O26    72     1.45877   106.46969    38.08338
   57    53 S   CM   _C5_    53     1.47857   115.41296    74.30290
   58    56 S   CO4  _C10    73     1.36042   118.08944  -149.58739
   59    58 S   O    _O22    74     1.22201   125.89931    -1.28998
   60    57 S   CM   _C4_    54     1.33090   128.85146  -113.41823
   61    60 S   HC   _H28    55     1.08117   124.74643    -2.03826
   62    58 S   CM   _C9_    75     1.48926   109.45193   178.22238
   63    60 S   CT   _C13    56     1.47866   110.52609   167.23123
   64    63 S   HC   _H35    57     1.09455   111.21812   129.88529
   65    62 S   CM   _C8_    76     1.34138   117.38853  -179.34151
   66    65 S   HC   _H29    77     1.08557   120.95621   179.89913
   67    65 S   HC   _H30    78     1.08539   122.48934    -0.05595
   68    62 S   CT   _C20    79     1.49775   120.15216     0.50822
   69    68 S   HC   _H41    80     1.09471   110.61715   -60.65784
   70    68 S   HC   _H42    81     1.09496   110.59018    59.86414
   71    68 S   HC   _H43    82     1.09536   111.88760   179.59993
   72    63 S   CT   _C12    58     1.54307   112.15291  -105.15652
   73    72 S   HC   _H33    59     1.09663   109.00208   178.04235
   74    72 S   HC   _H34    60     1.09768   109.20708   -65.71182
   75    63 S   OS   _O23    69     1.43312   103.47151    13.52613
   76    72 S   C3T  _C19    61     1.52007   113.10729    56.98691
   77    57 S   CO4  _C6_    70     1.46841   124.68443    64.98976
   78    77 S   O    _O20    71     1.21821   125.71697     5.90299
   79    76 S   CT   _C21    65     1.50366   117.09090    86.47421
   80    79 S   HC   _H44    66     1.09577   111.77140   152.66575
   81    79 S   HC   _H45    67     1.09477   110.98583    33.35633
   82    79 S   HC   _H46    68     1.09256   111.17841   -87.11127
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5  12
   4  11   6   9  11   5   4   6   8   9   3  10   5   7   9   6
   6   2   1   3   2   1   1   9   4   3   3   4   1   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    53    48    56  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    76    48    49    52  
   45    46    47    50    51    53    72    76    48    49    52    79    56  
   46    47    50    76    48    49    52  
   47    50    51    53    54    55    57    76    48    49    52    56    58  
   50    51    53    48    56  
   49    52    79    80    81    82    50    63    72    73    74    76  
   52    79    72    76  
   51    53    54    55    57    60    77    56    58    59    62  
   53    54    55    57    56    58  
   79    80    81    82    63    72    73    74    76  
   54    55    57    60    61    63    75    77    78    56    58  
   55    57    60    77    56  
   57    60    77    56  
   58    59    62    65    68    57  
   60    61    63    64    72    75    77    78  
   59    62    65    66    67    68    69    70    71  
   62    65    68  
   61    63    64    72    73    74    76    75    77    78  
   63    64    72    75    77  
   65    66    67    68    69    70    71  
   64    72    73    74    76    79    75    77    78  
   72    73    74    76    75    77  
   66    67    68    69    70    71  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    76    79    80    81    82    75    77  
   74    76    79    75  
   76    79    75  
   77    78    76  
   79    80    81    82  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.5000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   549.000  1.340
   57    77   320.000  1.462
   60    61   340.000  1.080
   60    63   317.000  1.510
   63    64   340.000  1.090
   63    72   268.000  1.529
   63    75   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    76   275.000  1.510
   76    48   260.000  1.509
   76    52   335.000  1.432
   76    79   275.000  1.510
   48    49   340.000  1.088
   48    52   335.000  1.432
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   75    77   214.000  1.327
   77    78   570.000  1.229
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    62   320.000  1.462
   62    65   549.000  1.340
   62    68   317.000  1.510
   65    66   340.000  1.080
   65    67   340.000  1.080
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    76    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    52    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    70.00000  112.02700
   50    56    58    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    57    60    70.00000  124.00000
   53    57    77    65.00000  116.34900
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    63    70.00000  124.00000
   57    77    75    90.00000  111.29400
   57    77    78    80.00000  123.72100
   60    63    64    35.00000  109.50000
   60    63    72    70.00000  112.02700
   60    63    75    85.00000  110.90400
   63    60    61    35.00000  117.00000
   63    72    73    37.50000  110.70000
   63    72    74    37.50000  110.70000
   63    72    76    70.00000  112.37300
   63    75    77    83.00000  116.90000
   72    63    64    37.50000  110.70000
   72    76    48    60.00000  120.94000
   72    76    52    80.00000  116.47100
   72    76    79    58.35000  112.70000
   74    72    73    33.00000  107.80000
   76    72    73    45.00000  109.38400
   76    72    74    45.00000  109.38400
   76    48    49    37.50000  117.20000
   76    48    52    15.00000   60.43100
   76    52    48    15.00000   59.14900
   76    79    80    45.00000  109.38400
   76    79    81    45.00000  109.38400
   76    79    82    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   52    76    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   79    76    48    60.00000  120.94000
   79    76    52    80.00000  116.47100
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   75    63    64    35.00000  109.50000
   75    63    72    50.00000  109.50000
   75    77    78    83.00000  123.40000
   77    57    60    65.00000  118.96000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    62    90.00000  111.29400
   58    62    65    65.00000  118.96000
   58    62    68    65.00000  116.34900
   62    58    59    80.00000  123.72100
   62    65    66    35.00000  120.00000
   62    65    67    35.00000  120.00000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    35.00000  109.50000
   67    65    66    35.00000  117.00000
   68    62    65    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.56750  1.0 1.0
   39    46    50    53  -0.07550 -1.0 2.0
   39    46    50    53   0.20000  1.0 3.0
   39    46    50    56   0.62750  1.0 1.0
   39    46    50    56  -0.30950 -1.0 2.0
   39    46    50    56   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    76  -0.26800  1.0 1.0
   43    44    48    76   0.69150 -1.0 2.0
   43    44    48    76  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   1.11900  1.0 1.0
   43    44    48    52  -1.16350 -1.0 2.0
   43    44    48    52  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48   -52    76   0.06250  1.0 1.0
   44    48   -52    76  -0.01100 -1.0 2.0
   44    48   -52    76   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    76   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    76   0.07850  1.0 1.0
   46    44    48    76  -0.03950 -1.0 2.0
   46    44    48    76   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.02550  1.0 1.0
   46    44    48    52  -0.02600 -1.0 2.0
   46    44    48    52   1.20400  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    57   0.34400  1.0 1.0
   46    50    53    57   0.09450 -1.0 2.0
   46    50    53    57   0.11100  1.0 3.0
   46    50    56    58  -0.25900  1.0 1.0
   46    50    56    58  -0.47000 -1.0 2.0
   46    50    56    58   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    57    60   0.09850  1.0 1.0
   50    53    57    60   0.15250 -1.0 2.0
   50    53    57    60  -0.50650  1.0 3.0
   50    53    57    77   0.09700  1.0 1.0
   50    53    57    77   0.15600 -1.0 2.0
   50    53    57    77  -0.50800  1.0 3.0
   50    56    58    59   3.00000 -1.0 2.0
   50    56    58    62   2.00000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    56    58   0.08050  1.0 3.0
   53    50    56    58  -0.25900  1.0 1.0
   53    50    56    58  -0.47000 -1.0 2.0
   53    50    56    58   0.11750  1.0 3.0
   53    57    60    61   7.00000 -1.0 2.0
   53    57    60    63   7.00000 -1.0 2.0
   53    57    77    75  -0.15000  1.0 1.0
   53    57    77    75   0.89550 -1.0 2.0
   53    57    77    75  -0.06900  1.0 3.0
   53    57    77    78  -0.64400  1.0 1.0
   53    57    77    78   0.26850 -1.0 2.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    57    77   0.15000  1.0 3.0
   55    53    57    60   0.00000  1.0 1.0
   55    53    57    77   0.15000  1.0 3.0
   57    60    63    64   0.00000  1.0 1.0
   57    60    63    72   0.09850  1.0 1.0
   57    60    63    72   0.15250 -1.0 2.0
   57    60    63    72  -0.50650  1.0 3.0
   57    60   -63    75   0.39000  1.0 1.0
   57    60   -63    75  -0.05800 -1.0 2.0
   57    60   -63    75  -0.55150  1.0 3.0
   60    57   -77    75  -0.56150  1.0 1.0
   60    57   -77    75   2.19150 -1.0 2.0
   60    57    77    78   1.00000 -1.0 2.0
   60    63    72    73   0.15000  1.0 3.0
   60    63    72    74   0.15000  1.0 3.0
   60    63    72    76   0.34400  1.0 1.0
   60    63    72    76   0.09450 -1.0 2.0
   60    63    72    76   0.11100  1.0 3.0
   60    63   -75    77  -0.82050  1.0 1.0
   60    63   -75    77   0.00600 -1.0 2.0
   60    63   -75    77   0.04400  1.0 3.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    72   0.00000  1.0 1.0
   61    60    63    75   0.00000  1.0 1.0
   63    72    76    48   0.07850  1.0 1.0
   63    72    76    48  -0.03950 -1.0 2.0
   63    72    76    48   0.67350  1.0 3.0
   63    72    76    52   0.02550  1.0 1.0
   63    72    76    52  -0.02600 -1.0 2.0
   63    72    76    52   1.20400  1.0 3.0
   63    72    76    79   0.56750  1.0 1.0
   63    72    76    79  -0.07550 -1.0 2.0
   63    72    76    79   0.20000  1.0 3.0
   63    75   -77    57   2.00000 -1.0 2.0
   63    75    77    78   3.00000 -1.0 2.0
   64    63    72    73   0.15000  1.0 3.0
   64    63    72    74   0.15000  1.0 3.0
   64    63    72    76   0.15000  1.0 3.0
   64    63    75    77   0.08050  1.0 3.0
   72    63    75    77  -0.25900  1.0 1.0
   72    63    75    77  -0.47000 -1.0 2.0
   72    63    75    77   0.11750  1.0 3.0
   72    76    48    44   0.56750  1.0 1.0
   72    76    48    44  -0.07550 -1.0 2.0
   72    76    48    44   0.20000  1.0 3.0
   72    76    48    49   0.15000  1.0 3.0
   72    76   -48    52   0.02550  1.0 1.0
   72    76   -48    52  -0.02600 -1.0 2.0
   72    76   -48    52   1.20400  1.0 3.0
   72    76   -52    48   0.06250  1.0 1.0
   72    76   -52    48  -0.01100 -1.0 2.0
   72    76   -52    48   0.28050  1.0 3.0
   72    76    79    80   0.15000  1.0 3.0
   72    76    79    81   0.15000  1.0 3.0
   72    76    79    82   0.15000  1.0 3.0
   73    72    76    48   0.15000  1.0 3.0
   73    72    76    52   0.23400  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   74    72    76    48   0.15000  1.0 3.0
   74    72    76    52   0.23400  1.0 3.0
   74    72    76    79   0.15000  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    76    79    80   0.15000  1.0 3.0
   48    76    79    81   0.15000  1.0 3.0
   48    76    79    82   0.15000  1.0 3.0
   49    48   -52    76   0.36800  1.0 3.0
   52    76   -48    44   0.02550  1.0 1.0
   52    76   -48    44  -0.02600 -1.0 2.0
   52    76   -48    44   1.20400  1.0 3.0
   52    76   -48    49   0.23400  1.0 3.0
   52    76    79    80   0.23400  1.0 3.0
   52    76    79    81   0.23400  1.0 3.0
   52    76    79    82   0.23400  1.0 3.0
   79    76    48    44   0.56750  1.0 1.0
   79    76    48    44  -0.07550 -1.0 2.0
   79    76    48    44   0.20000  1.0 3.0
   79    76    48    49   0.15000  1.0 3.0
   79    76   -48    52   0.02550  1.0 1.0
   79    76   -48    52  -0.02600 -1.0 2.0
   79    76   -48    52   1.20400  1.0 3.0
   79    76   -52    48   0.06250  1.0 1.0
   79    76   -52    48  -0.01100 -1.0 2.0
   79    76   -52    48   0.28050  1.0 3.0
   75    63    72    73   0.23400  1.0 3.0
   75    63    72    74   0.23400  1.0 3.0
   75    63    72    76  -0.26800  1.0 1.0
   75    63    72    76   0.69150 -1.0 2.0
   75    63    72    76  -0.48750  1.0 3.0
   77    57    60    61   7.00000 -1.0 2.0
   77    57   -60    63   7.00000 -1.0 2.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    57   0.61850  1.0 1.0
   56    50    53    57  -0.22750 -1.0 2.0
   56    50    53    57   0.15300  1.0 3.0
   56    58    62    65  -0.56150  1.0 1.0
   56    58    62    65   2.19150 -1.0 2.0
   56    58    62    68  -0.15000  1.0 1.0
   56    58    62    68   0.89550 -1.0 2.0
   56    58    62    68  -0.06900  1.0 3.0
   58    62    65    66   7.00000 -1.0 2.0
   58    62    65    67   7.00000 -1.0 2.0
   58    62    68    69   0.15000  1.0 3.0
   58    62    68    70   0.15000  1.0 3.0
   58    62    68    71   0.15000  1.0 3.0
   59    58    62    65   1.00000 -1.0 2.0
   59    58    62    68  -0.64400  1.0 1.0
   59    58    62    68   0.26850 -1.0 2.0
   65    62    68    69   0.00000  1.0 1.0
   65    62    68    70   0.00000  1.0 1.0
   65    62    68    71   0.00000  1.0 1.0
   68    62    65    66   7.00000 -1.0 2.0
   68    62    65    67   7.00000 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   53    77    57    60   1.10000 -1.0 2.0
   63    61    60    57   1.10000 -1.0 2.0
   57    75    77    78  10.50000 -1.0 2.0
   56    62    58    59  10.50000 -1.0 2.0
   58    68    62    65  15.00000 -1.0 2.0
   66    67    65    62  15.00000 -1.0 2.0
END
