* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    159    233     466
    1     0 S   NP   _N1_     1    28.69538    95.35802   -20.52517
    2     1 S   H    _HN1     2     1.02958    90.25255    30.41107
    3     1 S   H    _H1_     3     1.02841    36.70402   149.42571
    4     1 S   H    _H2_     4     1.02783    83.20218   -77.99389
    5     1 S   CT   _CA1     5     1.50099   147.06736   160.90741
    6     5 S   HC   _HA1     6     1.09568   105.28947    51.92065
    7     5 S   CO3  _C1_     7     1.53815   112.30638   -68.45035
    8     7 S   O2Z  _O11     8     1.26365   115.02837   -45.95573
    9     7 S   O2Z  _O12     9     1.26226   114.93700   133.39651
   10     5 S   CT   _CB1    10     1.53108   107.45751   169.92596
   11    10 S   HC   HB11    11     1.09819   109.48275   -49.91339
   12    10 S   HC   HB12    12     1.09825   110.37800    66.67726
   13    10 S   CT   _CG1    13     1.53005   112.61725  -171.00040
   14    13 S   HC   HG11    14     1.09471   110.47237   -59.45840
   15    13 S   HC   HG12    15     1.09636   110.08189    59.58502
   16    13 S   C    _CD1    16     1.51784   112.17878   179.70459
   17    16 S   O    _OE1    17     1.22736   123.13312   -11.94469
   18    16 S   N    _N2_    18     1.38608   111.75930   169.01574
   19    18 S   H    _HN2    19     1.01591   119.09013     0.31216
   20    18 S   CT1  _CA2    20     1.46167   123.33662   179.06059
   21    20 S   HC   _HA2    21     1.09737   109.35553   -10.80119
   22    20 S   C    _C2_    22     1.53483   108.22841  -126.30645
   23    22 S   O    _O2_    23     1.23016   122.25698  -145.58147
   24    20 S   CT   _CB2    32     1.53418   111.75920   111.35380
   25    24 S   HC   HB21    33     1.09480   109.88818    55.46180
   26    24 S   HC   HB22    34     1.09516   109.91029   174.24061
   27    22 S   N    _N3_    24     1.38512   113.38931    41.75768
   28    27 S   H    _HN3    25     1.01519   118.93883    -0.57878
   29    24 S   S    _SG2    35     1.82898   111.93793   -66.04207
   30    27 S   CT   _CA3    26     1.45456   123.47186   175.11525
   31    30 S   HC   HA31    27     1.09521   109.27218    23.69461
   32    30 S   HC   HA32    28     1.09496   107.10975   140.71193
   33    29 S   CT   _C11    36     1.84971    99.64653  -174.46647
   34    33 S   HC   _H3_    37     1.09666   105.37792    40.78084
   35    30 S   CO3  _C3_    29     1.52928   113.10542   -99.80394
   36    35 S   O2Z  _O31    30     1.26403   115.40588   -44.04425
   37    35 S   O2Z  _O32    31     1.26355   114.97865   136.88299
   38    33 S   CT   _C7_    38     1.54991   109.05618   156.51061
   39    38 S   HC   _H26    39     1.10055   108.49565   -40.27269
   40    38 S   CT   _C6_    40     1.53990   112.27470    78.54747
   41    40 S   HC   _H24    41     1.09738   110.91976   175.93095
   42    40 S   HC   _H25    42     1.09764   108.55686   -69.68126
   43    38 S   CO4  _C4_    77     1.53277   111.78854  -152.91280
   44    43 S   O    _O19    78     1.22436   124.98556    11.19885
   45    40 S   CT   _C8_    43     1.53450   114.29375    51.49751
   46    45 S   HC   _H27    44     1.09772   107.99752  -172.63286
   47    43 S   OS   _O21    79     1.36610   110.24630  -172.90928
   48    45 S   CT   _C9_    45     1.54341   111.78827   -52.85823
   49    48 S   HC   _H28    46     1.09823   107.37556   169.34375
   50    45 S   NT   _N17    74     1.46521   110.04974    71.01731
   51    50 S   H    _H50    75     1.01915   109.86938   176.44962
   52    50 S   H    _H51    76     1.01927   109.83023    59.60815
   53    47 S   CT   _C18    80     1.43490   115.62929  -179.10409
   54    53 S   HC   _H47    81     1.09561   109.65759   -57.08510
   55    53 S   HC   _H48    82     1.09536   109.40874    63.28035
   56    33 S   CT   _C10    47     1.54809   111.38993   -76.78343
   57    56 S   HC   _H29    48     1.09520   108.92008    43.22218
   58    48 S   N    _N18    66     1.46505   110.53157   -76.22889
   59    58 S   H    _H52    67     1.01539   118.17276    34.21692
   60    53 S   CT   _C15    83     1.51554   108.16495  -176.90864
   61    60 S   HC   _H40    84     1.09502   110.61625   -59.06133
   62    60 S   HC   _H41    85     1.09508   110.58237    59.15725
   63    60 S   HC   _H42    86     1.09352   110.91823  -179.96574
   64    56 S   OS   _O22    49     1.43737   107.02378   159.58275
   65    58 S   C    _C5_    68     1.38347   122.73555  -151.01201
   66    65 S   O    _O20    69     1.22836   125.25622     1.65965
   67    64 S   CT   _C19    50     1.43403   114.94172  -146.79217
   68    67 S   HC   _H49    51     1.09731   109.74637   -35.14674
   69    65 S   CT   _C12    70     1.50467   112.94277  -179.72024
   70    69 S   HC   _H31    71     1.09348   109.27311   147.40973
   71    69 S   HC   _H32    72     1.09313   109.13598   -92.89231
   72    69 S   HC   _H33    73     1.09348   111.35251    27.68395
   73    67 S   CT   _C16    52     1.53568   106.28124  -151.62056
   74    73 S   HC   _H43    53     1.09787   108.32287    57.63731
   75    73 S   HC   _H44    54     1.09652   110.59028   -56.85686
   76    67 S   CT   _C17    59     1.53942   109.83106    84.33312
   77    76 S   HC   _H45    60     1.09541   110.15931  -178.12591
   78    76 S   HC   _H46    61     1.09622   109.23478   -61.79595
   79    73 S   CT   _C13    55     1.51943   113.95897   178.71108
   80    79 S   HC   _H34    56     1.09379   111.53940    67.11880
   81    79 S   HC   _H35    57     1.09478   110.03980  -173.62416
   82    79 S   HC   _H36    58     1.09449   111.04823   -54.10648
   83    76 S   CT   _C14    62     1.52350   114.24933    58.32916
   84    83 S   HC   _H37    63     1.09416   111.44356   -57.09470
   85    83 S   HC   _H38    64     1.09370   111.51149    64.36889
   86    83 S   HC   _H39    65     1.09492   109.89466  -176.47330
  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
  17   8   2   1   1  15   8  14   6   5   8   2  12   7   7  13
   7   4   1   1   6   5   4   9   3   8   3   3   2   1   1  10
   5   4  15   8   3   2   1   1  10   6   5   7   5   4   3   2
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    56    57    64    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    48    49    56    57    64    67    58    43    44    47  
   38    39    40    48    56    57    64    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    48    56    57    64    50    43    44    47    53  
   40    41    42    45    56    43    44    47  
   41    42    45    46    48    49    56    58    50    51    52    43    44    47  
   42    45    46    48    50    43  
   45    46    48    50    43  
   44    47    53    54    55    60    45    56  
   47    53  
   46    48    49    56    57    64    58    59    65    50    51    52  
   48    49    56    58    50    51    52  
   53    54    55    60    61    62    63  
   49    56    57    64    67    58    59    65    66    69    50    51    52  
   56    57    64    58    59    65    50  
   51    52    56    58  
   52  
    0  
   54    55    60    61    62    63  
   55    60    61    62    63  
   60    61    62    63  
   57    64    67    68    73    76    58    59    65  
   64    67    58  
   59    65    66    69    70    71    72    64  
   65    66    69  
   61    62    63  
   62    63  
   63  
    0  
   67    68    73    74    75    79    76    77    78    83  
   66    69    70    71    72  
   69    70    71    72  
   68    73    74    75    79    80    81    82    76    77    78    83    84    85    86  
   73    74    75    79    76    77    78    83  
   70    71    72  
   71    72  
   72  
    0  
   74    75    79    80    81    82    76    77    78    83  
   75    79    80    81    82    76  
   79    80    81    82    76  
   77    78    83    84    85    86    79  
   78    83    84    85    86  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   51   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   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
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    48   268.000  1.529
   45    50   382.000  1.448
   48    49   340.000  1.090
   48    56   268.000  1.529
   48    58   337.000  1.449
   56    57   340.000  1.090
   56    64   320.000  1.410
   64    67   320.000  1.410
   67    68   340.000  1.090
   67    73   268.000  1.529
   67    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   58    59   434.000  1.010
   58    65   490.000  1.335
   65    66   570.000  1.229
   65    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   50    51   434.000  1.010
   50    52   434.000  1.010
   43    44   570.000  1.229
   43    47   214.000  1.327
   47    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    63.00000  111.10000
   33    56    48    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    80.00000  120.40000
   38    43    47    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    48    58.35000  112.70000
   40    45    50    56.20000  109.47000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    56    58.35000  112.70000
   45    48    58    70.00000  110.72300
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   48    45    46    37.50000  110.70000
   48    56    57    37.50000  110.70000
   48    56    64    50.00000  109.50000
   48    58    59    38.00000  118.40000
   48    58    65    50.00000  121.90000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    48    49    37.50000  110.70000
   56    64    67    60.00000  109.50000
   64    56    57    35.00000  109.50000
   64    67    68    35.00000  109.50000
   64    67    73    50.00000  109.50000
   64    67    76    50.00000  109.50000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    79    58.35000  112.70000
   67    76    77    37.50000  110.70000
   67    76    78    37.50000  110.70000
   67    76    83    58.35000  112.70000
   73    67    68    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    82    37.50000  110.70000
   75    73    74    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   76    67    68    37.50000  110.70000
   76    67    73    58.35000  112.70000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    37.50000  110.70000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   58    48    49    35.00000  109.50000
   58    48    56    70.00000  110.72300
   58    65    66    80.00000  122.90000
   58    65    69    70.00000  116.60000
   65    58    59    35.00000  119.80000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    72    35.00000  109.50000
   69    65    66    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    48    56.20000  109.47000
   52    50    51    43.60000  106.40000
   43    38    39    35.00000  109.50000
   43    38    40    63.00000  111.10000
   43    47    53    83.00000  116.90000
   47    43    44    83.00000  123.40000
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   47    53    60    50.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    37.50000  110.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    56    48   0.44750  1.0 1.0
   29    33    56    48  -0.17800 -1.0 2.0
   29    33    56    48   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    64   0.56750  1.0 1.0
   29    33    56    64  -0.07550 -1.0 2.0
   29    33    56    64   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    47   0.36750  1.0 3.0
   33    56    64    67   0.06250  1.0 1.0
   33    56    64    67  -0.01100 -1.0 2.0
   33    56    64    67   0.28050  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    43  -0.11250  1.0 3.0
   34    33    56    48   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    64   0.23400  1.0 3.0
   38    33    56    48   0.56750  1.0 1.0
   38    33    56    48  -0.07550 -1.0 2.0
   38    33    56    48   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    64   0.62750  1.0 1.0
   38    33    56    64  -0.30950 -1.0 2.0
   38    33    56    64   0.27300  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40   -45    48   0.56750  1.0 1.0
   38    40   -45    48  -0.07550 -1.0 2.0
   38    40   -45    48   0.20000  1.0 3.0
   38    40    45    50   1.85550  1.0 1.0
   38    40    45    50  -0.84100 -1.0 2.0
   38    43    47    53   1.63150  1.0 1.0
   38    43    47    53   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    47   0.00000  1.0 1.0
   40    38    43    44   0.30150 -1.0 2.0
   40    38    43    47   0.36750  1.0 3.0
   40    45    48    49   0.15000  1.0 3.0
   40    45    48    56   0.56750  1.0 1.0
   40    45    48    56  -0.07550 -1.0 2.0
   40    45    48    56   0.20000  1.0 3.0
   40    45    48    58  -0.27100  1.0 1.0
   40    45    48    58  -0.01700 -1.0 2.0
   40    45    48    58  -0.48600  1.0 3.0
   40    45    50    51  -0.05950  1.0 1.0
   40    45    50    51   0.08850 -1.0 2.0
   40    45    50    51   0.11750  1.0 3.0
   40    45    50    52  -0.05950  1.0 1.0
   40    45    50    52   0.08850 -1.0 2.0
   40    45    50    52   0.11750  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   41    40    45    50   0.15000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   42    40    45    50   0.15000  1.0 3.0
   45    48   -56    33   0.56750  1.0 1.0
   45    48   -56    33  -0.07550 -1.0 2.0
   45    48   -56    33   0.20000  1.0 3.0
   45    48    56    57   0.15000  1.0 3.0
   45    48    56    64   0.62750  1.0 1.0
   45    48    56    64  -0.30950 -1.0 2.0
   45    48    56    64   0.27300  1.0 3.0
   45    48    58    59   0.00000  1.0 1.0
   45    48    58    65  -0.43950  1.0 1.0
   45    48    58    65  -0.08100 -1.0 2.0
   45    48    58    65   0.03350  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    56   0.15000  1.0 3.0
   46    45    48    58   0.15000  1.0 3.0
   46    45    50    51   0.20000  1.0 3.0
   46    45    50    52   0.20000  1.0 3.0
   48    45    50    51  -0.05950  1.0 1.0
   48    45    50    51   0.08850 -1.0 2.0
   48    45    50    51   0.11750  1.0 3.0
   48    45    50    52  -0.05950  1.0 1.0
   48    45    50    52   0.08850 -1.0 2.0
   48    45    50    52   0.11750  1.0 3.0
   48    56    64    67   0.06250  1.0 1.0
   48    56    64    67  -0.01100 -1.0 2.0
   48    56    64    67   0.28050  1.0 3.0
   48    58    65    66   3.04450 -1.0 2.0
   48    58    65    69   1.49850  1.0 1.0
   48    58    65    69   1.53950 -1.0 2.0
   49    48    56    33   0.15000  1.0 3.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    64   0.23400  1.0 3.0
   49    48    58    59   0.00000  1.0 1.0
   49    48    58    65   0.00000  1.0 1.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    43  -0.95700  1.0 1.0
   56    33    38    43  -0.18200 -1.0 2.0
   56    33    38    43   0.29450  1.0 3.0
   56    48    58    59   0.00000  1.0 1.0
   56    48    58    65  -0.43950  1.0 1.0
   56    48    58    65  -0.08100 -1.0 2.0
   56    48    58    65   0.03350  1.0 3.0
   56    64    67    68   0.37050  1.0 3.0
   56    64    67    73   0.06250  1.0 1.0
   56    64    67    73  -0.01100 -1.0 2.0
   56    64    67    73   0.28050  1.0 3.0
   56    64    67    76   0.06250  1.0 1.0
   56    64    67    76  -0.01100 -1.0 2.0
   56    64    67    76   0.28050  1.0 3.0
   57    56    64    67   0.37050  1.0 3.0
   64    67    73    74   0.23400  1.0 3.0
   64    67    73    75   0.23400  1.0 3.0
   64    67    73    79   0.62750  1.0 1.0
   64    67    73    79  -0.30950 -1.0 2.0
   64    67    73    79   0.27300  1.0 3.0
   64    67    76    77   0.23400  1.0 3.0
   64    67    76    78   0.23400  1.0 3.0
   64    67    76    83   0.62750  1.0 1.0
   64    67    76    83  -0.30950 -1.0 2.0
   64    67    76    83   0.27300  1.0 3.0
   67    73    79    80   0.15000  1.0 3.0
   67    73    79    81   0.15000  1.0 3.0
   67    73    79    82   0.15000  1.0 3.0
   67    76    83    84   0.15000  1.0 3.0
   67    76    83    85   0.15000  1.0 3.0
   67    76    83    86   0.15000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    79   0.15000  1.0 3.0
   68    67    76    77   0.15000  1.0 3.0
   68    67    76    78   0.15000  1.0 3.0
   68    67    76    83   0.15000  1.0 3.0
   73    67    76    77   0.15000  1.0 3.0
   73    67    76    78   0.15000  1.0 3.0
   73    67    76    83   0.56750  1.0 1.0
   73    67    76    83  -0.07550 -1.0 2.0
   73    67    76    83   0.20000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    82   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    82   0.15000  1.0 3.0
   76    67    73    74   0.15000  1.0 3.0
   76    67    73    75   0.15000  1.0 3.0
   76    67    73    79   0.56750  1.0 1.0
   76    67    73    79  -0.07550 -1.0 2.0
   76    67    73    79   0.20000  1.0 3.0
   77    76    83    84   0.15000  1.0 3.0
   77    76    83    85   0.15000  1.0 3.0
   77    76    83    86   0.15000  1.0 3.0
   78    76    83    84   0.15000  1.0 3.0
   78    76    83    85   0.15000  1.0 3.0
   78    76    83    86   0.15000  1.0 3.0
   58    48    56    33  -0.27100  1.0 1.0
   58    48    56    33  -0.01700 -1.0 2.0
   58    48    56    33  -0.48600  1.0 3.0
   58    48    56    57   0.15000  1.0 3.0
   58    48    56    64   1.12100  1.0 1.0
   58    48    56    64  -0.16500 -1.0 2.0
   58    65    69    70   0.00000  1.0 1.0
   58    65    69    71   0.00000  1.0 1.0
   58    65    69    72   0.00000  1.0 1.0
   59    58    65    66   2.45000 -1.0 2.0
   59    58    65    69   2.45000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    71   0.00000  1.0 1.0
   66    65    69    72   0.00000  1.0 1.0
   50    45    48    49   0.15000  1.0 3.0
   50    45    48    56   1.85550  1.0 1.0
   50    45    48    56  -0.84100 -1.0 2.0
   50    45    48    58   2.65250  1.0 1.0
   50    45    48    58   0.86150 -1.0 2.0
   43    38    40    41  -0.11250  1.0 3.0
   43    38    40    42  -0.11250  1.0 3.0
   43    38    40    45  -0.95700  1.0 1.0
   43    38    40    45  -0.18200 -1.0 2.0
   43    38    40    45   0.29450  1.0 3.0
   43    47    53    54   0.08050  1.0 3.0
   43    47    53    55   0.08050  1.0 3.0
   43    47    53    60  -0.25900  1.0 1.0
   43    47    53    60  -0.47000 -1.0 2.0
   43    47    53    60   0.11750  1.0 3.0
   44    43    47    53   3.00000 -1.0 2.0
   47    53    60    61   0.23400  1.0 3.0
   47    53    60    62   0.23400  1.0 3.0
   47    53    60    63   0.23400  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   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
   59    65    58    48   1.00000 -1.0 2.0
   58    69    65    66  10.50000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
END
