* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    155    230     459
    1     0 S   NP   _N1_     1    28.67305    95.60651   -23.32381
    2     1 S   H    _HN1     2     1.02783   103.89804   -89.75762
    3     1 S   H    _H1_     3     1.02953    76.95545    16.24256
    4     1 S   H    _H2_     4     1.02825    33.84573   168.73584
    5     1 S   CT   _CA1     5     1.50121   137.57806   122.29615
    6     5 S   HC   _HA1     6     1.09577   105.19818    84.79985
    7     5 S   CO3  _C1_     7     1.53784   112.42282   -35.38798
    8     7 S   O2Z  _O11     8     1.26369   115.00886   -43.41169
    9     7 S   O2Z  _O12     9     1.26244   114.94059   135.67269
   10     5 S   CT   _CB1    10     1.53074   107.38983  -157.29596
   11    10 S   HC   HB11    11     1.09835   109.30884   -50.35242
   12    10 S   HC   HB12    12     1.09817   110.46762    66.21812
   13    10 S   CT   _CG1    13     1.52991   112.64216  -171.38336
   14    13 S   HC   HG11    14     1.09586   110.56860   -65.68577
   15    13 S   HC   HG12    15     1.09666   109.86080    53.56966
   16    13 S   C    _CD1    16     1.51781   112.21780   173.91479
   17    16 S   O    _OE1    17     1.22732   123.25664     3.86336
   18    16 S   N    _N2_    18     1.38697   111.67511  -175.96488
   19    18 S   H    _HN2    19     1.01571   119.01128     1.58301
   20    18 S   CT1  _CA2    20     1.46100   123.24883   177.80037
   21    20 S   HC   _HA2    21     1.09682   109.24862     2.23283
   22    20 S   C    _C2_    22     1.53406   108.37643  -112.98745
   23    22 S   O    _O2_    23     1.23026   122.46824  -143.45537
   24    20 S   CT   _CB2    32     1.53264   112.05436   123.81841
   25    24 S   HC   HB21    33     1.09549   110.80355    57.01067
   26    24 S   HC   HB22    34     1.09505   109.45621   176.08703
   27    22 S   N    _N3_    24     1.38381   113.42077    43.96960
   28    27 S   H    _HN3    25     1.01600   119.59529    -3.37957
   29    24 S   S    _SG2    35     1.82749   111.02741   -63.84780
   30    27 S   CT   _CA3    26     1.45255   123.16930   176.53564
   31    30 S   HC   HA31    27     1.09555   107.55902   -62.39031
   32    30 S   HC   HA32    28     1.09554   107.91040    54.03244
   33    29 S   CT   _C21    36     1.83818    99.82717  -157.67312
   34    33 S   HC   _H3_    37     1.09629   107.87767    42.77875
   35    30 S   CO3  _C3_    29     1.52941   114.09725   175.99088
   36    35 S   O2Z  _O31    30     1.26370   116.07562    -1.12292
   37    35 S   O2Z  _O32    31     1.26429   114.40671   178.93909
   38    33 S   CM   _C8_    38     1.50508   108.88488   -77.71230
   39    38 S   HC   _H29    39     1.08851   117.32881   -62.26829
   40    33 S   CT   _C18    46     1.53474   109.74191   161.04780
   41    40 S   HC   _H44    47     1.09794   110.99926    57.49455
   42    40 S   HC   _H45    48     1.09720   110.86620   175.68022
   43    38 S   CM   _C7_    40     1.34182   123.59068   118.25333
   44    43 S   HC   _H28    41     1.08704   119.68664    -0.30774
   45    40 S   CO4  _C9_    49     1.51249   111.44916   -65.47284
   46    45 S   O    _O20    50     1.22408   124.02345   -50.70002
   47    43 S   CT   _C16    42     1.49289   123.84924   179.86438
   48    47 S   HC   _H38    43     1.09425   109.89952  -120.50635
   49    47 S   HC   _H39    44     1.09426   109.88302   120.37261
   50    47 S   HC   _H40    45     1.09456   112.29845    -0.04846
   51    45 S   OS   _O24    51     1.36366   109.99754   128.33553
   52    51 S   CT   _C13    52     1.44416   116.73313  -173.47364
   53    52 S   HC   _H35    53     1.09602   110.11503   -37.08551
   54    52 S   CO4  _C6_    54     1.52341   105.48526    83.33975
   55    54 S   O    _O19    55     1.22404   124.40431    42.86893
   56    52 S   CT   _C11    70     1.53903   106.92614  -157.23289
   57    56 S   HC   _H32    71     1.09822   108.35193    46.96843
   58    56 S   HC   _H33    72     1.09859   109.68838   -67.46769
   59    54 S   OS   _O21    56     1.36377   109.72233  -138.80668
   60    59 S   CT   _C15    57     1.45141   118.32043  -169.02926
   61    60 S   HC   _H37    58     1.09731   109.95366    20.90965
   62    60 S   CT   _C14    59     1.55443   108.58024   139.13650
   63    62 S   HC   _H36    60     1.09629   107.76304   178.58059
   64    60 S   CT   _C19    77     1.53880   106.68979   -97.59745
   65    64 S   HC   _H46    78     1.09748   109.92630   -58.79049
   66    64 S   HC   _H47    79     1.09789   108.42948    55.58087
   67    62 S   CT   _C12    61     1.55323   115.23175   -61.78840
   68    67 S   HC   _H34    62     1.09675   109.55908   176.06334
   69    62 S   OH   _O23    75     1.42887   109.55993    62.59643
   70    69 S   HO   _H52    76     0.97232   107.74841   175.06628
   71    64 S   CT   _C20    80     1.52830   113.71535   177.33296
   72    71 S   HC   _H48    81     1.09595   109.89244   -53.78870
   73    71 S   HC   _H49    82     1.09488   110.36312    64.50550
   74    67 S   CM   _C5_    63     1.50728   112.70426    56.85604
   75    74 S   HC   _H27    64     1.08854   115.31475    63.45573
   76    67 S   OH   _O22    73     1.42599   109.08403   -66.72242
   77    76 S   HO   _H51    74     0.97225   107.63565   -62.27894
   78    71 S   CT   _C17    83     1.52122   111.55323  -174.97902
   79    78 S   HC   _H41    84     1.09460   111.02027   -59.40778
   80    78 S   HC   _H42    85     1.09451   110.25347  -179.20083
   81    78 S   HC   _H43    86     1.09341   111.07278    61.19199
   82    74 S   CM   _C4_    65     1.34265   125.51930  -108.32218
   83    82 S   HC   _H26    66     1.08706   120.15828    -6.30618
   84    82 S   CT   _C10    67     1.49881   122.92667   165.61708
   85    84 S   HC   _H30    68     1.09665   111.28137    11.04577
   86    84 S   HC   _H31    69     1.09638   108.30542   127.93115
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  11   4   7   4   3   5   4   6   2   3   2
   1   1   9  12   7  10   3   9   5   4  10  16   8  14   7  11
   5   4  10   6   3   1   6   5   4   8   4   2   1   3   2   1
   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    51  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    50    40    41    42    45  
   43    44    47    40  
   41    42    45    46    51    52    43  
   42    45    46    51  
   45    46    51  
   44    47    48    49    50  
   47    48    49    50  
   46    51    52    53    54    56  
   51    52  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    59    84    56    57    58  
   53    54    55    59    60    82    84    85    86    56    57    58  
   54    55    59    84    56    57    58  
   55    59    60    61    62    84    56    57    58    64  
   59    60    56  
   57    58    59    74    82    83    84    85    86  
   58    82    84    85    86  
   82    84    85    86  
   60    61    62    63    67    69    64    65    66    71  
   61    62    63    67    68    74    76    69    70    64    65    66    71    72    73    78  
   62    63    67    69    64    65    66    71  
   63    67    68    74    75    82    76    77    69    70    64    65    66    71  
   67    68    74    76    69    70    64  
   65    66    71    72    73    78    79    80    81    67    69  
   66    71    72    73    78  
   71    72    73    78  
   68    74    75    82    83    84    76    77    69    70  
   74    75    82    76    77    69  
   70    74    76  
    0  
   72    73    78    79    80    81  
   73    78    79    80    81  
   78    79    80    81  
   75    82    83    84    85    86    76    77  
   82    83    84    76  
   77    82  
    0  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    51   214.000  1.327
   51    52   320.000  1.410
   52    53   340.000  1.090
   52    54   317.000  1.522
   52    56   268.000  1.529
   54    55   570.000  1.229
   54    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    67   268.000  1.529
   62    69   320.000  1.410
   67    68   340.000  1.090
   67    74   317.000  1.510
   67    76   320.000  1.410
   74    75   340.000  1.080
   74    82   549.000  1.340
   82    83   340.000  1.080
   82    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   76    77   553.000  0.945
   69    70   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  124.00000
   43    38    39    35.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   47    43    44    35.00000  117.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    51    81.00000  111.40000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    51    52    83.00000  116.90000
   51    45    46    83.00000  123.40000
   51    52    53    35.00000  109.50000
   51    52    54    90.00000  108.74100
   51    52    56    50.00000  109.50000
   52    54    55    80.00000  120.40000
   52    54    59    81.00000  111.40000
   52    56    84    58.35000  112.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   54    52    53    35.00000  109.50000
   54    59    60    83.00000  116.90000
   59    54    55    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   59    60    64    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    67    58.35000  112.70000
   60    62    69    50.00000  109.50000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    71    58.35000  112.70000
   62    60    61    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    74    70.00000  112.02700
   62    67    76    50.00000  109.50000
   62    69    70    55.00000  108.50000
   67    62    63    37.50000  110.70000
   67    74    75    35.00000  117.00000
   67    74    82    70.00000  124.00000
   67    76    77    55.00000  108.50000
   74    67    68    35.00000  109.50000
   74    82    83    35.00000  120.00000
   74    82    84    70.00000  124.00000
   82    74    75    35.00000  120.00000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    56    70.00000  112.02700
   84    82    83    35.00000  117.00000
   84    56    57    37.50000  110.70000
   84    56    58    37.50000  110.70000
   86    84    85    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    63.00000  111.10000
   56    84    85    37.50000  110.70000
   56    84    86    37.50000  110.70000
   58    56    57    33.00000  107.80000
   76    67    68    35.00000  109.50000
   76    67    74    90.00000  110.39200
   69    62    63    35.00000  109.50000
   69    62    67    50.00000  109.50000
   64    60    61    37.50000  110.70000
   64    60    62    58.35000  112.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    78    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    37.50000  110.70000
   73    71    72    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    73    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    51   0.36750  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43    47    50   0.00000  1.0 1.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   44    43    47    48   0.33100  1.0 3.0
   44    43    47    49   0.33100  1.0 3.0
   44    43    47    50   0.33100  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    51    52   1.63150  1.0 1.0
   40    45    51    52   2.92000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    51   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    51   0.00000  1.0 1.0
   45    51    52    53   0.08050  1.0 3.0
   45    51    52    54  -1.80650  1.0 1.0
   45    51    52    54   0.63900 -1.0 2.0
   45    51    52    54   0.03650  1.0 3.0
   45    51    52    56  -0.25900  1.0 1.0
   45    51    52    56  -0.47000 -1.0 2.0
   45    51    52    56   0.11750  1.0 3.0
   46    45    51    52   3.00000 -1.0 2.0
   51    52    54    55   0.30150 -1.0 2.0
   51    52    54    59   0.40000  1.0 3.0
   51    52    56    84   0.62750  1.0 1.0
   51    52    56    84  -0.30950 -1.0 2.0
   51    52    56    84   0.27300  1.0 3.0
   51    52    56    57   0.23400  1.0 3.0
   51    52    56    58   0.23400  1.0 3.0
   52    54    59    60   1.63150  1.0 1.0
   52    54    59    60   2.92000 -1.0 2.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    59   0.00000  1.0 1.0
   53    52    56    84   0.15000  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   54    52    56    84  -0.95700  1.0 1.0
   54    52    56    84  -0.18200 -1.0 2.0
   54    52    56    84   0.29450  1.0 3.0
   54    52    56    57  -0.11250  1.0 3.0
   54    52    56    58  -0.11250  1.0 3.0
   54    59    60    61   0.08050  1.0 3.0
   54    59    60    62  -0.25900  1.0 1.0
   54    59    60    62  -0.47000 -1.0 2.0
   54    59    60    62   0.11750  1.0 3.0
   54    59    60    64  -0.25900  1.0 1.0
   54    59    60    64  -0.47000 -1.0 2.0
   54    59    60    64   0.11750  1.0 3.0
   55    54    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    67   0.62750  1.0 1.0
   59    60    62    67  -0.30950 -1.0 2.0
   59    60    62    67   0.27300  1.0 3.0
   59    60    62    69   3.69350  1.0 1.0
   59    60    62    69  -1.82950 -1.0 2.0
   59    60    64    65   0.23400  1.0 3.0
   59    60    64    66   0.23400  1.0 3.0
   59    60    64    71   0.62750  1.0 1.0
   59    60    64    71  -0.30950 -1.0 2.0
   59    60    64    71   0.27300  1.0 3.0
   60    62    67    68   0.15000  1.0 3.0
   60    62    67    74   0.34400  1.0 1.0
   60    62    67    74   0.09450 -1.0 2.0
   60    62    67    74   0.11100  1.0 3.0
   60    62    67    76   0.86500  1.0 1.0
   60    62    67    76  -0.17500 -1.0 2.0
   60    62    67    76   0.20800  1.0 3.0
   60    62    69    70  -0.11600  1.0 1.0
   60    62    69    70  -0.09450 -1.0 2.0
   60    62    69    70   0.21250  1.0 3.0
   60    64    71    72   0.15000  1.0 3.0
   60    64    71    73   0.15000  1.0 3.0
   60    64    71    78   0.56750  1.0 1.0
   60    64    71    78  -0.07550 -1.0 2.0
   60    64    71    78   0.20000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    67   0.15000  1.0 3.0
   61    60    62    69   0.23400  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    71   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    71   0.56750  1.0 1.0
   62    60    64    71  -0.07550 -1.0 2.0
   62    60    64    71   0.20000  1.0 3.0
   62    67    74    75   0.00000  1.0 1.0
   62    67    74    82   0.09850  1.0 1.0
   62    67    74    82   0.15250 -1.0 2.0
   62    67    74    82  -0.50650  1.0 3.0
   62    67    76    77  -0.11600  1.0 1.0
   62    67    76    77  -0.09450 -1.0 2.0
   62    67    76    77   0.21250  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    74   0.15000  1.0 3.0
   63    62    67    76   0.23400  1.0 3.0
   63    62    69    70   0.19450  1.0 3.0
   67    62    69    70  -0.11600  1.0 1.0
   67    62    69    70  -0.09450 -1.0 2.0
   67    62    69    70   0.21250  1.0 3.0
   67    74    82    83   7.00000 -1.0 2.0
   67    74    82    84   7.00000 -1.0 2.0
   68    67    74    75   0.33100  1.0 3.0
   68    67    74    82   0.00000  1.0 1.0
   68    67    76    77   0.19450  1.0 3.0
   74    67    76    77  -0.07800  1.0 1.0
   74    67    76    77  -0.21500 -1.0 2.0
   74    67    76    77  -0.03150  1.0 3.0
   74    82    84    85   0.00000  1.0 1.0
   74    82    84    86   0.00000  1.0 1.0
   74    82    84    56   0.09850  1.0 1.0
   74    82    84    56   0.15250 -1.0 2.0
   74    82    84    56  -0.50650  1.0 3.0
   75    74    82    83   7.00000 -1.0 2.0
   75    74    82    84   7.00000 -1.0 2.0
   82    84    56    52   0.34400  1.0 1.0
   82    84    56    52   0.09450 -1.0 2.0
   82    84    56    52   0.11100  1.0 3.0
   82    84    56    57   0.15000  1.0 3.0
   82    84    56    58   0.15000  1.0 3.0
   83    82    84    85   0.33100  1.0 3.0
   83    82    84    86   0.33100  1.0 3.0
   83    82    84    56   0.00000  1.0 1.0
   85    84    56    52   0.15000  1.0 3.0
   85    84    56    57   0.15000  1.0 3.0
   85    84    56    58   0.15000  1.0 3.0
   86    84    56    52   0.15000  1.0 3.0
   86    84    56    57   0.15000  1.0 3.0
   86    84    56    58   0.15000  1.0 3.0
   56    52    54    55   0.30150 -1.0 2.0
   56    52    54    59   0.36750  1.0 3.0
   76    67    74    75   0.00000  1.0 1.0
   76    67    74    82   0.67800  1.0 1.0
   76    67    74    82   0.47050 -1.0 2.0
   76    67    74    82  -0.62500  1.0 3.0
   69    62    67    68   0.23400  1.0 3.0
   69    62    67    74   1.05650  1.0 1.0
   69    62    67    74   0.15600 -1.0 2.0
   69    62    67    74   0.53150  1.0 3.0
   69    62    67    76   3.75450  1.0 1.0
   64    60    62    63   0.15000  1.0 3.0
   64    60    62    67   0.56750  1.0 1.0
   64    60    62    67  -0.07550 -1.0 2.0
   64    60    62    67   0.20000  1.0 3.0
   64    60    62    69   0.86500  1.0 1.0
   64    60    62    69  -0.17500 -1.0 2.0
   64    60    62    69   0.20800  1.0 3.0
   64    71    78    79   0.15000  1.0 3.0
   64    71    78    80   0.15000  1.0 3.0
   64    71    78    81   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    78   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    78   0.15000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81   0.15000  1.0 3.0
   73    71    78    79   0.15000  1.0 3.0
   73    71    78    80   0.15000  1.0 3.0
   73    71    78    81   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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   40    51    45    46  10.50000 -1.0 2.0
   52    59    54    55  10.50000 -1.0 2.0
   67    75    74    82   1.10000 -1.0 2.0
   84    83    82    74   1.10000 -1.0 2.0
END
