* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    166    247     492
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02120    91.99646    37.07288
    3     1 S   H    _H1_     3     1.02095    33.01299   159.44578
    4     1 S   H    _H2_     4     1.02139    88.47393   -71.58487
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.84156    97.55847   161.84627
   34    33 S   HC   _H3_    37     1.09655   106.50080   -35.39985
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C12    38     1.55116   105.56304    80.00472
   39    38 S   HC   _H35    39     1.09967   108.56519   -50.61362
   40    38 S   HC   _H36    40     1.09777   110.43896    63.67609
   41    33 S   CT   _C14    52     1.55220   111.61133  -154.88680
   42    41 S   HC   _H39    53     1.09542   109.30272   -64.74181
   43    38 S   NT   _N20    41     1.47281   112.00306  -171.46001
   44    41 S   CT   _C13    54     1.54545   114.76556    56.54977
   45    44 S   HC   _H37    55     1.09296   113.63731   -40.80592
   46    44 S   HC   _H38    56     1.09556   111.74047    79.25320
   47    43 S   CT   _C11    42     1.47076   113.31022  -114.31415
   48    47 S   HC   _H33    43     1.09790   110.47034   -62.84763
   49    47 S   HC   _H34    44     1.09740   108.80152  -179.54286
   50    44 S   OS   _O25    57     1.44825   109.59757  -162.75568
   51    43 S   CT   _C22    86     1.46316   111.43094   120.59623
   52    51 S   HC   _H52    87     1.09386   110.07264   -53.23481
   53    51 S   HC   _H53    88     1.09337   110.18098  -173.19476
   54    51 S   HC   _H54    89     1.09231   110.23923    66.75194
   55    47 S   CT   _C10    45     1.53610   114.78715    60.54152
   56    55 S   HC   _H31    46     1.09714   108.12190   175.56456
   57    55 S   HC   _H32    47     1.09525   110.73171   -71.00114
   58    50 S   CO4  _C7_    58     1.36546   117.39104    91.61359
   59    58 S   O    _O23    59     1.22631   125.06816     0.35222
   60    55 S   CT   _C15    48     1.52786   113.77809    54.76102
   61    60 S   HC   _H40    49     1.09687   110.89394    60.25576
   62    58 S   CT   _C18    60     1.53229   111.33389  -178.50839
   63    60 S   CO4  _C6_    50     1.52012   114.11035   -62.36587
   64    63 S   O    _O22    51     1.23377   119.84282   130.77010
   65    62 S   CT   _C16    61     1.56247   113.41382    70.12993
   66    65 S   HC   _H41    62     1.10125   106.51154   161.04126
   67    62 S   CT   _C21    80     1.53155   110.27928   -58.98355
   68    67 S   HC   _H49    81     1.08820   109.60867  -179.95577
   69    67 S   HC   _H50    82     1.08675   109.62547    60.06586
   70    67 S   HC   _H51    83     1.08725   109.67682   -59.98994
   71    62 S   OH   _O26    84     1.43625   105.46739  -171.60062
   72    71 S   HO   _H55    85     0.96586   105.94122   -60.02502
   73    65 S   CT   _C9_    63     1.55417   112.95598   -83.19472
   74    73 S   HC   _H29    64     1.09463   111.11580    33.39952
   75    73 S   HC   _H30    65     1.09979   107.51316   -79.17666
   76    65 S   CT   _C20    76     1.54029   111.89256    47.35883
   77    76 S   HC   _H46    77     1.08457   109.17717   -65.13107
   78    76 S   HC   _H47    78     1.08427   109.16201   174.84053
   79    76 S   HC   _H48    79     1.08436   109.14416    54.86125
   80    73 S   CM   _C4_    66     1.50938   117.01333   158.92275
   81    80 S   CO4  _C5_    67     1.49247   119.87573   -96.72624
   82    81 S   O    _O21    68     1.22164   124.99152  -164.61880
   83    80 S   CM   _C8_    70     1.34129   122.59390    87.30554
   84    83 S   HC   _H28    71     1.08528   118.64451    -3.91832
   85    60 S   OS   _O24    69     1.43677   110.99135  -176.99124
   86    83 S   CT   _C19    72     1.48987   123.90390   176.10504
   87    86 S   HC   _H43    73     1.09472   109.84507   -90.02454
   88    86 S   HC   _H44    74     1.09463   112.30982   149.54937
   89    86 S   HC   _H45    75     1.09379   109.89425    29.07095
  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
  16   8   2   1   1  15   5   4  13   7  11   9   4   3  13   6
   5   7   4   2   1   1   8   5   4  12   4   7   4  16   3   1
  17  10   7   3   2   1   3   1  13   5   4   4   2   1   1   9
   5   2   6   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    63    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    60    63    64    41    42    44    45    46    50    51  
   38    39    40    43    63    41    42    44  
   36    37  
   37  
    0  
   39    40    43    47    48    49    55    63    41    42    44    51    52    53    54  
   40    43    47    41    51  
   43    47    41    51  
   42    44    45    46    50    58    85    43    55    60    61    63    64  
   44    45    46    50    60    63    64  
   47    48    49    55    56    57    60    51    52    53    54  
   45    46    50    58    59    62    60    63    64  
   46    50    58    63  
   50    58    63  
   48    49    55    56    57    60    61    63    85    51    52    53    54  
   49    55    56    57    60    51  
   55    56    57    60    51  
   58    59    62    65    67    71    63  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    60    61    63    64    81    85  
   57    60    61    63    85  
   60    61    63    85  
   59    62    65    66    73    76    67    68    69    70    71    72  
   62    65    67    71  
   61    63    64    80    81    82    85  
   63    64    81    85  
   65    66    73    74    75    80    76    77    78    79    67    68    69    70    71    72  
   64    81    85  
   85  
   66    73    74    75    80    81    83    76    77    78    79    67    68    69    70    71    72  
   73    74    75    80    76    77    78    79    67    71  
   68    69    70    71    72    73    76  
   69    70    71  
   70    71  
   71  
   72    73    76  
    0  
   74    75    80    81    82    85    83    84    86    76    77    78    79  
   75    80    81    83    76  
   80    81    83    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82    85    83    84    86    87    88    89  
   82    85    83    84    86  
   85    83  
   84    86    87    88    89    85  
   86    87    88    89  
    0  
   87    88    89  
   88    89  
   89  
    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   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.268000   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.180000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   382.000  1.448
   43    47   382.000  1.448
   43    51   382.000  1.448
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    63   317.000  1.522
   60    85   320.000  1.410
   63    64   570.000  1.229
   63    41   317.000  1.522
   41    42   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   320.000  1.410
   50    58   214.000  1.327
   58    59   570.000  1.229
   58    62   317.000  1.522
   62    65   268.000  1.529
   62    67   268.000  1.529
   62    71   320.000  1.410
   65    66   340.000  1.090
   65    73   268.000  1.529
   65    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    80   317.000  1.510
   80    81   320.000  1.462
   80    83   549.000  1.340
   81    82   570.000  1.229
   81    85   214.000  1.327
   83    84   340.000  1.080
   83    86   317.000  1.510
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    56.20000  109.47000
   33    41    63    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    47    51.80000  107.20000
   38    43    51    51.80000  107.20000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    55    56.20000  109.47000
   43    51    52    35.00000  109.50000
   43    51    53    35.00000  109.50000
   43    51    54    35.00000  109.50000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   47    55    60    58.35000  112.70000
   49    47    48    33.00000  107.80000
   55    47    48    37.50000  110.70000
   55    47    49    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    63    63.00000  111.10000
   55    60    85    50.00000  109.50000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    63    64    80.00000  120.40000
   60    63    41    70.00000  116.00000
   60    85    81    83.00000  116.90000
   63    60    61    35.00000  109.50000
   63    41    42    35.00000  109.50000
   63    41    44    63.00000  111.10000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    63    64    80.00000  120.40000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    50    50.00000  109.50000
   44    41    42    37.50000  110.70000
   44    50    58    83.00000  116.90000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    58    59    83.00000  123.40000
   50    58    62    81.00000  111.40000
   58    62    65    63.00000  111.10000
   58    62    67    63.00000  111.10000
   58    62    71    90.00000  109.61100
   62    58    59    80.00000  120.40000
   62    65    66    37.50000  110.70000
   62    65    73    58.35000  112.70000
   62    65    76    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   62    71    72    55.00000  108.50000
   65    73    74    37.50000  110.70000
   65    73    75    37.50000  110.70000
   65    73    80    70.00000  112.02700
   65    76    77    37.50000  110.70000
   65    76    78    37.50000  110.70000
   65    76    79    37.50000  110.70000
   73    65    66    37.50000  110.70000
   73    80    81    65.00000  116.34900
   73    80    83    70.00000  124.00000
   75    73    74    33.00000  107.80000
   80    73    74    35.00000  109.50000
   80    73    75    35.00000  109.50000
   80    81    82    80.00000  123.72100
   80    81    85    90.00000  111.29400
   80    83    84    35.00000  120.00000
   80    83    86    70.00000  124.00000
   85    60    61    35.00000  109.50000
   85    60    63    90.00000  108.74100
   85    81    82    83.00000  123.40000
   83    80    81    65.00000  118.96000
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   86    83    84    35.00000  117.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   76    65    66    37.50000  110.70000
   76    65    73    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   67    62    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    62    65    50.00000  109.50000
   71    62    67    50.00000  109.50000
   51    43    47    51.80000  107.20000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    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    41    63   0.56750  1.0 1.0
   29    33    41    63  -0.07550 -1.0 2.0
   29    33    41    63   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   33    38    43    47   0.23450  1.0 1.0
   33    38    43    47   0.02050 -1.0 2.0
   33    38    43    47   0.25250  1.0 3.0
   33    38    43    51   0.23450  1.0 1.0
   33    38    43    51   0.02050 -1.0 2.0
   33    38    43    51   0.25250  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    50   0.62750  1.0 1.0
   33    41    44    50  -0.30950 -1.0 2.0
   33    41    44    50   0.27300  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   0.15000  1.0 3.0
   34    33    41    63  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   38    33    41    63  -0.95700  1.0 1.0
   38    33    41    63  -0.18200 -1.0 2.0
   38    33    41    63   0.29450  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    43    47    48   0.28000  1.0 3.0
   38    43    47    49   0.28000  1.0 3.0
   38    43    47    55   0.23450  1.0 1.0
   38    43    47    55   0.02050 -1.0 2.0
   38    43    47    55   0.25250  1.0 3.0
   38    43    51    52   0.28000  1.0 3.0
   38    43    51    53   0.28000  1.0 3.0
   38    43    51    54   0.28000  1.0 3.0
   39    38    43    47   0.28000  1.0 3.0
   39    38    43    51   0.28000  1.0 3.0
   40    38    43    47   0.28000  1.0 3.0
   40    38    43    51   0.28000  1.0 3.0
   43    47    55    56   0.15000  1.0 3.0
   43    47    55    57   0.15000  1.0 3.0
   43    47    55    60   1.53400  1.0 1.0
   43    47    55    60  -0.09950 -1.0 2.0
   43    47    55    60   0.05700  1.0 3.0
   47    43    51    52   0.28000  1.0 3.0
   47    43    51    53   0.28000  1.0 3.0
   47    43    51    54   0.28000  1.0 3.0
   47    55    60    61   0.15000  1.0 3.0
   47    55    60    63  -0.95700  1.0 1.0
   47    55    60    63  -0.18200 -1.0 2.0
   47    55    60    63   0.29450  1.0 3.0
   47    55    60    85   0.62750  1.0 1.0
   47    55    60    85  -0.30950 -1.0 2.0
   47    55    60    85   0.27300  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   48    47    55    60   0.15000  1.0 3.0
   49    47    55    56   0.15000  1.0 3.0
   49    47    55    57   0.15000  1.0 3.0
   49    47    55    60   0.15000  1.0 3.0
   55    60    63    64   0.30150 -1.0 2.0
   55    60    63    41   0.60050  1.0 1.0
   55    60    63    41   0.05600 -1.0 2.0
   55    60    63    41   0.26150  1.0 3.0
   55    60    85    81  -0.25900  1.0 1.0
   55    60    85    81  -0.47000 -1.0 2.0
   55    60    85    81   0.11750  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    63  -0.11250  1.0 3.0
   56    55    60    85   0.23400  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    63  -0.11250  1.0 3.0
   57    55    60    85   0.23400  1.0 3.0
   60    63    41    33   0.60050  1.0 1.0
   60    63    41    33   0.05600 -1.0 2.0
   60    63    41    33   0.26150  1.0 3.0
   60    63    41    42   0.00000  1.0 1.0
   60    63    41    44   0.60050  1.0 1.0
   60    63    41    44   0.05600 -1.0 2.0
   60    63    41    44   0.26150  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    41   0.00000  1.0 1.0
   61    60    85    81   0.08050  1.0 3.0
   63    60    85    81  -1.80650  1.0 1.0
   63    60    85    81   0.63900 -1.0 2.0
   63    60    85    81   0.03650  1.0 3.0
   63    41    44    45  -0.11250  1.0 3.0
   63    41    44    46  -0.11250  1.0 3.0
   63    41    44    50  -0.09450  1.0 1.0
   63    41    44    50  -1.12950 -1.0 2.0
   63    41    44    50   0.54000  1.0 3.0
   64    63    41    33   0.30150 -1.0 2.0
   64    63    41    42   0.00000  1.0 1.0
   64    63    41    44   0.30150 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   1.53400  1.0 1.0
   41    33    38    43  -0.09950 -1.0 2.0
   41    33    38    43   0.05700  1.0 3.0
   41    44    50    58  -0.25900  1.0 1.0
   41    44    50    58  -0.47000 -1.0 2.0
   41    44    50    58   0.11750  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    50   0.23400  1.0 3.0
   44    50    58    59   3.00000 -1.0 2.0
   44    50    58    62   1.63150  1.0 1.0
   44    50    58    62   2.92000 -1.0 2.0
   45    44    50    58   0.08050  1.0 3.0
   46    44    50    58   0.08050  1.0 3.0
   50    58    62    65   0.36750  1.0 3.0
   50    58    62    67   0.36750  1.0 3.0
   50    58    62    71   0.30750  1.0 1.0
   50    58    62    71   1.13850 -1.0 2.0
   50    58    62    71   0.38850  1.0 3.0
   58    62    65    66  -0.11250  1.0 3.0
   58    62    65    73  -0.95700  1.0 1.0
   58    62    65    73  -0.18200 -1.0 2.0
   58    62    65    73   0.29450  1.0 3.0
   58    62    65    76  -0.95700  1.0 1.0
   58    62    65    76  -0.18200 -1.0 2.0
   58    62    65    76   0.29450  1.0 3.0
   58    62    67    68  -0.11250  1.0 3.0
   58    62    67    69  -0.11250  1.0 3.0
   58    62    67    70  -0.11250  1.0 3.0
   58    62    71    72   0.91850  1.0 1.0
   58    62    71    72   0.57950  1.0 3.0
   59    58    62    65   0.30150 -1.0 2.0
   59    58    62    67   0.30150 -1.0 2.0
   59    58    62    71   0.30150 -1.0 2.0
   62    65    73    74   0.15000  1.0 3.0
   62    65    73    75   0.15000  1.0 3.0
   62    65    73    80   0.34400  1.0 1.0
   62    65    73    80   0.09450 -1.0 2.0
   62    65    73    80   0.11100  1.0 3.0
   62    65    76    77   0.15000  1.0 3.0
   62    65    76    78   0.15000  1.0 3.0
   62    65    76    79   0.15000  1.0 3.0
   65    62    67    68   0.15000  1.0 3.0
   65    62    67    69   0.15000  1.0 3.0
   65    62    67    70   0.15000  1.0 3.0
   65    62    71    72  -0.11600  1.0 1.0
   65    62    71    72  -0.09450 -1.0 2.0
   65    62    71    72   0.21250  1.0 3.0
   65    73    80    81   0.09700  1.0 1.0
   65    73    80    81   0.15600 -1.0 2.0
   65    73    80    81  -0.50800  1.0 3.0
   65    73    80    83   0.09850  1.0 1.0
   65    73    80    83   0.15250 -1.0 2.0
   65    73    80    83  -0.50650  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.15000  1.0 3.0
   66    65    73    80   0.15000  1.0 3.0
   66    65    76    77   0.15000  1.0 3.0
   66    65    76    78   0.15000  1.0 3.0
   66    65    76    79   0.15000  1.0 3.0
   73    65    76    77   0.15000  1.0 3.0
   73    65    76    78   0.15000  1.0 3.0
   73    65    76    79   0.15000  1.0 3.0
   73    80    81    82  -0.64400  1.0 1.0
   73    80    81    82   0.26850 -1.0 2.0
   73    80    81    85  -0.15000  1.0 1.0
   73    80    81    85   0.89550 -1.0 2.0
   73    80    81    85  -0.06900  1.0 3.0
   73    80    83    84   7.00000 -1.0 2.0
   73    80    83    86   7.00000 -1.0 2.0
   74    73    80    81   0.15000  1.0 3.0
   74    73    80    83   0.00000  1.0 1.0
   75    73    80    81   0.15000  1.0 3.0
   75    73    80    83   0.00000  1.0 1.0
   80    81    85    60   2.00000 -1.0 2.0
   80    83    86    87   0.00000  1.0 1.0
   80    83    86    88   0.00000  1.0 1.0
   80    83    86    89   0.00000  1.0 1.0
   81    80    83    84   7.00000 -1.0 2.0
   81    80    83    86   7.00000 -1.0 2.0
   82    81    85    60   3.00000 -1.0 2.0
   85    60    63    64   0.30150 -1.0 2.0
   85    60    63    41   0.55300  1.0 1.0
   85    60    63    41   1.25850 -1.0 2.0
   85    60    63    41  -0.23600  1.0 3.0
   83    80    81    82   1.00000 -1.0 2.0
   83    80    81    85  -0.56150  1.0 1.0
   83    80    81    85   2.19150 -1.0 2.0
   84    83    86    87   0.33100  1.0 3.0
   84    83    86    88   0.33100  1.0 3.0
   84    83    86    89   0.33100  1.0 3.0
   76    65    73    74   0.15000  1.0 3.0
   76    65    73    75   0.15000  1.0 3.0
   76    65    73    80   0.34400  1.0 1.0
   76    65    73    80   0.09450 -1.0 2.0
   76    65    73    80   0.11100  1.0 3.0
   67    62    65    66   0.15000  1.0 3.0
   67    62    65    73   0.56750  1.0 1.0
   67    62    65    73  -0.07550 -1.0 2.0
   67    62    65    73   0.20000  1.0 3.0
   67    62    65    76   0.56750  1.0 1.0
   67    62    65    76  -0.07550 -1.0 2.0
   67    62    65    76   0.20000  1.0 3.0
   67    62    71    72  -0.11600  1.0 1.0
   67    62    71    72  -0.09450 -1.0 2.0
   67    62    71    72   0.21250  1.0 3.0
   71    62    65    66   0.23400  1.0 3.0
   71    62    65    73   0.86500  1.0 1.0
   71    62    65    73  -0.17500 -1.0 2.0
   71    62    65    73   0.20800  1.0 3.0
   71    62    65    76   0.86500  1.0 1.0
   71    62    65    76  -0.17500 -1.0 2.0
   71    62    65    76   0.20800  1.0 3.0
   71    62    67    68   0.23400  1.0 3.0
   71    62    67    69   0.23400  1.0 3.0
   71    62    67    70   0.23400  1.0 3.0
   51    43    47    48   0.28000  1.0 3.0
   51    43    47    49   0.28000  1.0 3.0
   51    43    47    55   0.23450  1.0 1.0
   51    43    47    55   0.02050 -1.0 2.0
   51    43    47    55   0.25250  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
   60    41    63    64  10.50000 -1.0 2.0
   50    62    58    59  10.50000 -1.0 2.0
   73    81    80    83   1.10000 -1.0 2.0
   80    85    81    82  10.50000 -1.0 2.0
   86    84    83    80   1.10000 -1.0 2.0
END
