* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    156    246     465
    1     0 S   NP   _N1_     1    28.74749    95.09136   -20.46381
    2     1 S   H    _HN1     2     1.02778    84.35930   -73.62068
    3     1 S   H    _H1_     3     1.02962    91.98902    34.59921
    4     1 S   H    _H2_     4     1.02837    34.32379   152.58002
    5     1 S   CT   _CA1     5     1.50112   144.59001   165.21061
    6     5 S   HC   _HA1     6     1.09569   105.27227    51.60053
    7     5 S   CO3  _C1_     7     1.53823   112.33615   -68.71026
    8     7 S   O2Z  _O11     8     1.26361   115.00994   -44.31686
    9     7 S   O2Z  _O12     9     1.26236   114.93027   134.90891
   10     5 S   CT   _CB1    10     1.53088   107.43600   169.58900
   11    10 S   HC   HB11    11     1.09819   109.46737   -50.07235
   12    10 S   HC   HB12    12     1.09833   110.34884    66.50989
   13    10 S   CT   _CG1    13     1.53011   112.65310  -171.19241
   14    13 S   HC   HG11    14     1.09589   110.31981   -60.48496
   15    13 S   HC   HG12    15     1.09624   110.17377    58.74383
   16    13 S   C    _CD1    16     1.51788   112.15185   179.06980
   17    16 S   O    _OE1    17     1.22729   123.20007    -9.95878
   18    16 S   N    _N2_    18     1.38612   111.68408   170.24450
   19    18 S   H    _HN2    19     1.01591   119.02079     1.93472
   20    18 S   CT1  _CA2    20     1.46288   123.38729  -176.39364
   21    20 S   HC   _HA2    21     1.09729   109.34324   -16.25576
   22    20 S   C    _C2_    22     1.53353   108.37134  -132.13346
   23    22 S   O    _O2_    23     1.23005   122.26565  -145.66256
   24    20 S   CT   _CB2    32     1.53504   111.15403   105.76275
   25    24 S   HC   HB21    33     1.09588   109.51967    55.42868
   26    24 S   HC   HB22    34     1.09498   110.82024   174.20255
   27    22 S   N    _N3_    24     1.38516   113.30972    41.69143
   28    27 S   H    _HN3    25     1.01535   118.90848    -0.54321
   29    24 S   S    _SG2    35     1.82812   111.55643   -66.05737
   30    27 S   CT   _CA3    26     1.45449   123.42609   175.11248
   31    30 S   HC   HA31    27     1.09525   109.20946    24.81360
   32    30 S   HC   HA32    28     1.09495   107.12662   141.81587
   33    29 S   CT   _C15    36     1.83238    99.71319   150.67724
   34    33 S   HC   _H9_    37     1.09620   109.34115   -46.83453
   35    30 S   CO3  _C3_    29     1.52929   113.14268   -98.64387
   36    35 S   O2Z  _O31    30     1.26400   115.41812   -44.06537
   37    35 S   O2Z  _O32    31     1.26357   114.97299   136.87441
   38    33 S   CT   _C16    38     1.52672   107.69946    73.65335
   39    38 S   HC   _H18    39     1.09535   113.64193    36.74056
   40    38 S   HC   _H19    40     1.09353   111.71619   -89.10505
   41    38 S   CO4  _C17    41     1.49768   102.87695   152.55545
   42    41 S   O    _O35    42     1.22646   122.45708   168.10196
   43    41 S   CT   _C13    43     1.52805   113.14810   -11.52564
   44    33 S   CT   _C14    44     1.55296   114.18306  -169.89320
   45    44 S   HC   _H8_    45     1.09944   106.82065   -41.32420
   46    43 S   CT   _C12    64     1.55843   108.42870  -131.43331
   47    46 S   HC   _H7_    65     1.09810   108.46187    26.07031
   48    43 S   CT   _C18    77     1.54560   104.25768   107.16815
   49    48 S   HC   _H20    78     1.09289   112.30632   173.25692
   50    48 S   HC   _H21    79     1.09692   111.63200    52.91249
   51    48 S   HC   _H22    80     1.09595   111.63440   -65.45187
   52    44 S   CT   _C5_    46     1.56315   116.28389    79.86148
   53    52 S   HC   _H3_    47     1.09490   109.30840    75.13893
   54    46 S   OS   _O36    66     1.45128   108.33575   -92.26890
   55    52 S   CT   _C6_    48     1.54213   112.82245  -165.40006
   56    55 S   HC   _H13    49     1.09970   109.21483    71.23283
   57    55 S   HC   _H14    50     1.09950   108.64051  -175.62140
   58    54 S   CO4  _C19    67     1.36294   118.88794   117.34683
   59    58 S   O    _O37    68     1.22268   126.76980     2.27856
   60    52 S   CT   _C4_    73     1.53562   114.93857   -42.25297
   61    60 S   HC   _H10    74     1.09441   111.64098   -58.83439
   62    60 S   HC   _H11    75     1.09620   110.58059  -178.14501
   63    60 S   HC   _H12    76     1.09365   111.45343    64.04891
   64    55 S   CT   _C7_    51     1.52818   117.64252   -53.26965
   65    64 S   HC   _H4_    52     1.09424   111.31850   -60.84636
   66    58 S   CT   _C20    69     1.49846   109.27337  -178.25146
   67    66 S   HC   _H23    70     1.09287   109.79809   -62.30684
   68    66 S   HC   _H24    71     1.09376   109.37356   178.54599
   69    66 S   HC   _H25    72     1.09299   109.82352    59.58951
   70    64 S   CT   _C8_    53     1.52009   113.74427    68.35224
   71    70 S   HC   _H5_    54     1.09969   108.15794    32.90095
   72    70 S   CT   _C9_    55     1.53157   102.37945   146.36341
   73    72 S   HC   _H6_    56     1.09504   112.49989    82.32073
   74    72 S   CO4  _C10    57     1.50344   102.01320   -31.19898
   75    74 S   O    _O33    58     1.22092   126.17692  -160.42347
   76    72 S   CT   _C11    60     1.51950   112.99370  -151.93304
   77    76 S   HC   _H15    61     1.09565   111.49078    59.60200
   78    76 S   HC   _H16    62     1.09393   111.19131   -61.35250
   79    76 S   HC   _H17    63     1.09539   110.59593   178.73082
   80    64 S   OS   _O34    59     1.44415   106.41884  -177.06962
  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  10   5   4   3
  15   8   2   1   1  10   5   4  13   4  18  19   6  20   7   6
   2   1   1  12   8  10  13   6   5   6   4   4   2   1   1   9
   5   3   2   1   1  10   5   8   7   6   2   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    52    53    55    46    60    48  
   38    39    40    41    43    44    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    46    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    52    70    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    55    64    70    71    72    46    47    54    58    60    48    49    50    51  
   45    52    53    55    56    57    64    70    46    47    54    60    61    62    63    48    49    50    51  
   52    53    55    46    60    48  
   47    54    58    59    66    48    49    50    51    52    55    64    65    70    71    72    73    74    76    80  
   54    58    48    64    70    71    72  
   49    50    51    52    54    70  
   50    51  
   51  
    0  
   53    55    56    57    64    65    70    80    60    61    62    63  
   55    56    57    64    60    61    62    63  
   58    59    66    67    68    69    64    70    71    72  
   56    57    64    65    70    71    72    74    80    60    61    62    63  
   57    64    65    70    80    60  
   64    65    70    80    60  
   59    66    67    68    69    70  
   66    67    68    69  
   61    62    63    64  
   62    63  
   63  
    0  
   65    70    71    72    73    74    75    80    76  
   70    71    72    74    80  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    80    76    77    78    79  
   72    73    74    80    76  
   73    74    75    80    76    77    78    79  
   74    75    80    76    77    78    79  
   75    80    76    77    78    79  
   80    76  
   77    78    79    80  
   78    79  
   79  
    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   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    60   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    80   320.000  1.410
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    46   268.000  1.529
   72    73   340.000  1.090
   72    74   317.000  1.522
   72    76   268.000  1.529
   74    75   570.000  1.229
   74    80   214.000  1.327
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    58   214.000  1.327
   58    59   570.000  1.229
   58    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    46    70    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    55    58.35000  112.70000
   44    52    60    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    64    58.35000  112.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   55    52    53    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    70    58.35000  112.70000
   55    64    80    50.00000  109.50000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    58.35000  112.70000
   64    70    46    58.35000  112.70000
   64    80    74    83.00000  116.90000
   70    64    65    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    63.00000  111.10000
   70    72    76    58.35000  112.70000
   70    46    47    37.50000  110.70000
   70    46    54    50.00000  109.50000
   72    70    71    37.50000  110.70000
   72    74    75    80.00000  120.40000
   72    74    80    81.00000  111.40000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   74    72    73    35.00000  109.50000
   80    64    65    35.00000  109.50000
   80    64    70    50.00000  109.50000
   80    74    75    83.00000  123.40000
   76    72    73    37.50000  110.70000
   76    72    74    63.00000  111.10000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   46    43    44    58.35000  112.70000
   46    70    71    37.50000  110.70000
   46    70    72    58.35000  112.70000
   46    54    58    83.00000  116.90000
   54    46    47    35.00000  109.50000
   54    58    59    83.00000  123.40000
   54    58    66    81.00000  111.40000
   58    66    67    35.00000  109.50000
   58    66    68    35.00000  109.50000
   58    66    69    35.00000  109.50000
   66    58    59    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    55    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.44750  1.0 1.0
   29    33    44    43  -0.17800 -1.0 2.0
   29    33    44    43   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    52   0.44750  1.0 1.0
   29    33    44    52  -0.17800 -1.0 2.0
   29    33    44    52   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    44    52    53   0.15000  1.0 3.0
   33    44    52    55   0.56750  1.0 1.0
   33    44    52    55  -0.07550 -1.0 2.0
   33    44    52    55   0.20000  1.0 3.0
   33    44    52    60   0.56750  1.0 1.0
   33    44    52    60  -0.07550 -1.0 2.0
   33    44    52    60   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    52   0.15000  1.0 3.0
   38    33   -44    43   0.56750  1.0 1.0
   38    33   -44    43  -0.07550 -1.0 2.0
   38    33   -44    43   0.20000  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    52   0.56750  1.0 1.0
   38    33    44    52  -0.07550 -1.0 2.0
   38    33    44    52   0.20000  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    46   0.60050  1.0 1.0
   38    41    43    46   0.05600 -1.0 2.0
   38    41    43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.95700  1.0 1.0
   41    43   -44    33  -0.18200 -1.0 2.0
   41    43   -44    33   0.29450  1.0 3.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    46    70  -0.95700  1.0 1.0
   41    43    46    70  -0.18200 -1.0 2.0
   41    43    46    70   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    54  -0.09450  1.0 1.0
   41    43    46    54  -1.12950 -1.0 2.0
   41    43    46    54   0.54000  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    55   0.56750  1.0 1.0
   43    44    52    55  -0.07550 -1.0 2.0
   43    44    52    55   0.20000  1.0 3.0
   43    44    52    60   0.56750  1.0 1.0
   43    44    52    60  -0.07550 -1.0 2.0
   43    44    52    60   0.20000  1.0 3.0
   43    46    54    58  -0.25900  1.0 1.0
   43    46    54    58  -0.47000 -1.0 2.0
   43    46    54    58   0.11750  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    70   0.56750  1.0 1.0
   44    43    46    70  -0.07550 -1.0 2.0
   44    43    46    70   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.62750  1.0 1.0
   44    43    46    54  -0.30950 -1.0 2.0
   44    43    46    54   0.27300  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    55    56   0.15000  1.0 3.0
   44    52    55    57   0.15000  1.0 3.0
   44    52    55    64   0.56750  1.0 1.0
   44    52    55    64  -0.07550 -1.0 2.0
   44    52    55    64   0.20000  1.0 3.0
   44    52    60    61   0.15000  1.0 3.0
   44    52    60    62   0.15000  1.0 3.0
   44    52    60    63   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   45    44    52    60   0.15000  1.0 3.0
   52    55    64    65   0.15000  1.0 3.0
   52    55    64    70   0.56750  1.0 1.0
   52    55    64    70  -0.07550 -1.0 2.0
   52    55    64    70   0.20000  1.0 3.0
   52    55    64    80   0.62750  1.0 1.0
   52    55    64    80  -0.30950 -1.0 2.0
   52    55    64    80   0.27300  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    64   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   55    52    60    61   0.15000  1.0 3.0
   55    52    60    62   0.15000  1.0 3.0
   55    52    60    63   0.15000  1.0 3.0
   55    64    70    71   0.15000  1.0 3.0
   55    64    70    72   0.56750  1.0 1.0
   55    64    70    72  -0.07550 -1.0 2.0
   55    64    70    72   0.20000  1.0 3.0
   55    64    70    46   0.56750  1.0 1.0
   55    64    70    46  -0.07550 -1.0 2.0
   55    64    70    46   0.20000  1.0 3.0
   55    64    80    74  -0.25900  1.0 1.0
   55    64    80    74  -0.47000 -1.0 2.0
   55    64    80    74   0.11750  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    70   0.15000  1.0 3.0
   56    55    64    80   0.23400  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    70   0.15000  1.0 3.0
   57    55    64    80   0.23400  1.0 3.0
   64    70    72    73   0.15000  1.0 3.0
   64    70   -72    74  -0.95700  1.0 1.0
   64    70   -72    74  -0.18200 -1.0 2.0
   64    70   -72    74   0.29450  1.0 3.0
   64    70    72    76   0.56750  1.0 1.0
   64    70    72    76  -0.07550 -1.0 2.0
   64    70    72    76   0.20000  1.0 3.0
   64    70    46    43   0.56750  1.0 1.0
   64    70    46    43  -0.07550 -1.0 2.0
   64    70    46    43   0.20000  1.0 3.0
   64    70    46    47   0.15000  1.0 3.0
   64    70    46    54   0.62750  1.0 1.0
   64    70    46    54  -0.30950 -1.0 2.0
   64    70    46    54   0.27300  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    46   0.15000  1.0 3.0
   65    64    80    74   0.08050  1.0 3.0
   70    64   -80    74  -0.25900  1.0 1.0
   70    64   -80    74  -0.47000 -1.0 2.0
   70    64   -80    74   0.11750  1.0 3.0
   70    72    74    75   0.30150 -1.0 2.0
   70    72   -74    80   0.36750  1.0 3.0
   70    72    76    77   0.15000  1.0 3.0
   70    72    76    78   0.15000  1.0 3.0
   70    72    76    79   0.15000  1.0 3.0
   70    46    54    58  -0.25900  1.0 1.0
   70    46    54    58  -0.47000 -1.0 2.0
   70    46    54    58   0.11750  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74  -0.11250  1.0 3.0
   71    70    72    76   0.15000  1.0 3.0
   71    70    46    43   0.15000  1.0 3.0
   71    70    46    47   0.15000  1.0 3.0
   71    70    46    54   0.23400  1.0 3.0
   72    70    46    43   0.56750  1.0 1.0
   72    70    46    43  -0.07550 -1.0 2.0
   72    70    46    43   0.20000  1.0 3.0
   72    70    46    47   0.15000  1.0 3.0
   72    70    46    54   0.62750  1.0 1.0
   72    70    46    54  -0.30950 -1.0 2.0
   72    70    46    54   0.27300  1.0 3.0
   72    74   -80    64   1.63150  1.0 1.0
   72    74   -80    64   2.92000 -1.0 2.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    80   0.00000  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   74    72    76    77  -0.11250  1.0 3.0
   74    72    76    78  -0.11250  1.0 3.0
   74    72    76    79  -0.11250  1.0 3.0
   75    74    80    64   3.00000 -1.0 2.0
   80    64    70    71   0.23400  1.0 3.0
   80    64   -70    72   0.62750  1.0 1.0
   80    64   -70    72  -0.30950 -1.0 2.0
   80    64   -70    72   0.27300  1.0 3.0
   80    64    70    46   0.62750  1.0 1.0
   80    64    70    46  -0.30950 -1.0 2.0
   80    64    70    46   0.27300  1.0 3.0
   76    72    74    75   0.30150 -1.0 2.0
   76    72    74    80   0.36750  1.0 3.0
   46    43    44    33   0.56750  1.0 1.0
   46    43    44    33  -0.07550 -1.0 2.0
   46    43    44    33   0.20000  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.56750  1.0 1.0
   46    43    44    52  -0.07550 -1.0 2.0
   46    43    44    52   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    70    72    73   0.15000  1.0 3.0
   46    70    72    74  -0.95700  1.0 1.0
   46    70    72    74  -0.18200 -1.0 2.0
   46    70    72    74   0.29450  1.0 3.0
   46    70    72    76   0.56750  1.0 1.0
   46    70    72    76  -0.07550 -1.0 2.0
   46    70    72    76   0.20000  1.0 3.0
   46    54    58    59   3.00000 -1.0 2.0
   46    54    58    66   1.63150  1.0 1.0
   46    54    58    66   2.92000 -1.0 2.0
   47    46    54    58   0.08050  1.0 3.0
   54    58    66    67   0.00000  1.0 1.0
   54    58    66    68   0.00000  1.0 1.0
   54    58    66    69   0.00000  1.0 1.0
   59    58    66    67   0.00000  1.0 1.0
   59    58    66    68   0.00000  1.0 1.0
   59    58    66    69   0.00000  1.0 1.0
   60    52    55    56   0.15000  1.0 3.0
   60    52    55    57   0.15000  1.0 3.0
   60    52    55    64   0.56750  1.0 1.0
   60    52    55    64  -0.07550 -1.0 2.0
   60    52    55    64   0.20000  1.0 3.0
   48    43    44    33   0.56750  1.0 1.0
   48    43    44    33  -0.07550 -1.0 2.0
   48    43    44    33   0.20000  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    46    70   0.56750  1.0 1.0
   48    43    46    70  -0.07550 -1.0 2.0
   48    43    46    70   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    54   0.62750  1.0 1.0
   48    43    46    54  -0.30950 -1.0 2.0
   48    43    46    54   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   72    80    74    75  10.50000 -1.0 2.0
   54    66    58    59  10.50000 -1.0 2.0
END
