* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    161    257     474
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02142    68.08983   -99.40890
    3     1 S   H    _H1_     3     1.02060   104.59811     5.20044
    4     1 S   H    _H2_     4     1.02107    44.79113   107.15024
    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     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   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   _C16    36     1.81602    98.35449   161.85077
   34    33 S   HC   _H3_    37     1.09699   107.80868   -36.77428
   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   _C14    38     1.52105   112.92518  -160.00037
   39    38 S   HC   _H36    39     1.09696   112.16280   -40.27553
   40    38 S   CO4  _C8_    40     1.50854   101.14140  -154.09635
   41    40 S   O    _O21    41     1.22171   126.12728  -160.68710
   42    38 S   CT   _C20    80     1.51978   113.25186    85.82346
   43    42 S   HC   _H40    81     1.09078   110.20712    53.10479
   44    42 S   HC   _H41    82     1.09133   110.19502   -66.95047
   45    42 S   HC   _H42    83     1.09201   110.15716   173.12482
   46    40 S   OS   _O23    42     1.36931   109.65270    20.76569
   47    33 S   CO   _C17    43     1.51559   112.36785    84.95469
   48    47 S   HC   _H39    44     1.09624   113.60401    38.93811
   49    47 S   OS   _O25    45     1.41900   110.09760   -83.97077
   50    49 S   CM   _C9_    46     1.36712   113.14348   165.38660
   51    50 S   HC   _H28    47     1.08051   111.24667    -0.05595
   52    50 S   CM   _C6_    48     1.33467   124.98927  -180.00000
   53    52 S   CO4  _C7_    49     1.47158   122.37180   179.97202
   54    53 S   O    _O20    50     1.21760   127.06364    -7.73228
   55    53 S   OS   _O22    51     1.36075   107.12833   173.05482
   56    55 S   CT   _C15    52     1.43382   112.42850    -5.71426
   57    56 S   HC   _H37    53     1.09693   107.25441  -104.77448
   58    52 S   CT   _C13    54     1.47902   128.10911    -2.08394
   59    58 S   HC   _H35    55     1.09485   113.27316   -44.54308
   60    58 S   CM   _C4_    56     1.49517   114.24190    83.37436
   61    60 S   HC   _H27    57     1.08141   123.75465   -61.12696
   62    60 S   CM   _C5_    58     1.33793   111.69854   124.69386
   63    62 S   CT   _C10    59     1.49272   127.28797   173.01528
   64    63 S   HC   _H29    60     1.09711   108.24001   -98.58990
   65    63 S   HC   _H30    61     1.09587   111.11657    18.45551
   66    63 S   CT   _C11    62     1.52727   112.18199   141.60205
   67    66 S   HC   _H31    63     1.09669   109.22576   167.40803
   68    66 S   HC   _H32    64     1.09659   109.57476   -76.69024
   69    66 S   CT   _C12    65     1.53551   112.58085    45.95812
   70    69 S   HC   _H33    66     1.09858   108.78847    65.62334
   71    69 S   HC   _H34    67     1.09787   109.00514  -179.18747
   72    69 S   CT   _C19    68     1.56150   112.51224   -56.37041
   73    56 S   CT   _C18    69     1.55345   114.67871   130.64914
   74    72 S   CT   _C21    72     1.54269   108.25195   177.34767
   75    74 S   HC   _H43    73     1.08382   109.01862  -180.00000
   76    74 S   HC   _H44    74     1.08312   109.05992    60.03040
   77    74 S   HC   _H45    75     1.08352   109.02803   -60.04480
   78    72 S   CT   _C22    76     1.54892   107.17137   -66.83019
   79    78 S   HC   _H46    77     1.08158   108.70434  -180.00000
   80    78 S   HC   _H47    78     1.08115   108.75424    60.02453
   81    78 S   HC   _H48    79     1.08178   108.69057   -60.02336
   82    73 S   OH   _O24    70     1.43945   105.66694   148.64103
   83    82 S   HO   _H49    71     0.96602   105.86297    48.66536
  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
  14   8   2   1   1  11   8   9   3   5   2   1   1   4   5   2
   5   9   3  11   8   3   9  14   7   8   4   9   3  13  11   6
   5   9   5   4  13   5   4  11  10   8   3   2   1   4   2   1
   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    47    48    49    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    48    49    50    42    43    44    45  
   38    39    40    46    47    48    49    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    49    42    43    44    45  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    42    43    44    45  
   46    47    42  
   43    44    45    46    47  
   44    45  
   45  
    0  
   47    48    49    50  
   48    49    50    51    52  
   49    50  
   50    51    52    53    58  
   51    52    53    54    55    56    58    59    60  
   52    53    58  
   53    54    55    56    57    58    59    60    61    62    73  
   54    55    56    57    58    59    60    73  
   55    56    58  
   56    57    58    59    60    62    72    73    82  
   57    58    59    60    61    62    63    69    72    73    82    83    74    78  
   58    59    60    62    72    73    82  
   59    60    61    62    63    72    73    82  
   60    61    62    73  
   61    62    63    64    65    66    72    73    82  
   62    63    73  
   63    64    65    66    67    68    69    72    73    82    83    74    78  
   64    65    66    67    68    69    70    71    72    73    82  
   65    66    67    68    69    73  
   66    67    68    69    73  
   67    68    69    70    71    72    73    74    78  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    82    74    75    76    77    78    79    80    81  
   71    72    73    74    78  
   72    73    74    78  
   73    82    83    74    75    76    77    78    79    80    81  
   82    83    74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81    82  
   76    77    78  
   77    78  
   78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   49   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    47   250.000  1.527
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   214.000  1.327
   46    47   320.000  1.380
   47    48   340.000  1.090
   47    49   320.000  1.380
   49    50   440.000  1.360
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   320.000  1.462
   52    58   317.000  1.510
   53    54   570.000  1.229
   53    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    73   268.000  1.529
   58    59   340.000  1.090
   58    60   317.000  1.510
   60    61   340.000  1.080
   60    62   549.000  1.340
   62    63   317.000  1.510
   62    73   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    74   268.000  1.529
   72    78   268.000  1.529
   73    82   320.000  1.410
   82    83   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    47    46    90.00000  108.56700
   33    47    48    45.00000  112.01100
   33    47    49    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    81.00000  111.40000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    95.00000  111.08000
   46    40    41    83.00000  123.40000
   46    47    48    35.00000  109.50000
   46    47    49    92.60000  111.55000
   47    33    34    45.00000  108.72000
   47    33    38    75.00000  109.43000
   47    49    50    85.00000  113.97000
   49    47    48    35.00000  109.50000
   49    50    51    55.00000  109.52600
   49    50    52    80.00000  120.01400
   50    52    53    65.00000  118.96000
   50    52    58    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    80.00000  123.72100
   52    53    55    90.00000  111.29400
   52    58    56    70.00000  112.02700
   52    58    59    35.00000  109.50000
   52    58    60    70.00000  110.12100
   53    55    56    83.00000  116.90000
   55    53    54    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    50.00000  109.50000
   55    56    73    50.00000  109.50000
   56    58    59    37.50000  110.70000
   56    58    60    70.00000  112.02700
   56    73    62    70.00000  112.02700
   56    73    72    58.35000  112.70000
   56    73    82    50.00000  109.50000
   58    52    53    65.00000  116.34900
   58    56    57    37.50000  110.70000
   58    60    61    35.00000  117.00000
   58    60    62    70.00000  124.00000
   60    58    59    35.00000  109.50000
   60    62    63    70.00000  124.00000
   60    62    73    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    66    70.00000  112.02700
   62    73    72    70.00000  112.02700
   62    73    82    90.00000  110.39200
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    58.35000  112.70000
   69    72    74    58.35000  112.70000
   69    72    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    82    50.00000  109.50000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    37.50000  110.70000
   73    56    57    37.50000  110.70000
   73    56    58    58.35000  112.70000
   73    62    63    65.00000  117.92700
   73    82    83    55.00000  108.50000
   74    72    73    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    72    73    58.35000  112.70000
   78    72    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    47    46   0.56750  1.0 1.0
   29    33    47    46  -0.07550 -1.0 2.0
   29    33    47    46   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.56750  1.0 1.0
   29    33    47    49  -0.07550 -1.0 2.0
   29    33    47    49   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    46   0.36750  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    45   0.15000  1.0 3.0
   33    47    49    50  -0.46850  1.0 1.0
   33    47    49    50   0.09300 -1.0 2.0
   33    47    49    50  -0.12850  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    47    46   0.23400  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    49   0.23400  1.0 3.0
   38    33   -47    46   0.62750  1.0 1.0
   38    33   -47    46  -0.30950 -1.0 2.0
   38    33   -47    46   0.27300  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    49   0.62750  1.0 1.0
   38    33    47    49  -0.30950 -1.0 2.0
   38    33    47    49   0.27300  1.0 3.0
   38    40   -46    47   1.63150  1.0 1.0
   38    40   -46    47   2.92000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    46   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    45  -0.11250  1.0 3.0
   40    46   -47    33  -2.60950  1.0 1.0
   40    46   -47    33   1.40200 -1.0 2.0
   40    46   -47    33   0.21950  1.0 3.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -1.83450  1.0 1.0
   40    46    47    49  -0.02700 -1.0 2.0
   40    46    47    49  -0.20100  1.0 3.0
   41    40    46    47   3.00000 -1.0 2.0
   46    47    49    50  -0.48150  1.0 1.0
   46    47    49    50   0.09250 -1.0 2.0
   46    47    49    50  -0.12850  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    40  -0.95700  1.0 1.0
   47    33   -38    40  -0.18200 -1.0 2.0
   47    33   -38    40   0.29450  1.0 3.0
   47    33    38    42   3.97050  1.0 1.0
   47    49    50    51   0.50000 -1.0 2.0
   47    49    50    52  -2.26850  1.0 1.0
   47    49    50    52   3.39050 -1.0 2.0
   48    47    49    50   0.08050  1.0 3.0
   49    50    52    53   7.00000 -1.0 2.0
   49    50    52    58   7.00000 -1.0 2.0
   50    52    53    54   1.00000 -1.0 2.0
   50    52    53    55  -0.56150  1.0 1.0
   50    52    53    55   2.19150 -1.0 2.0
   50    52    58    56   0.09850  1.0 1.0
   50    52    58    56   0.15250 -1.0 2.0
   50    52    58    56  -0.50650  1.0 3.0
   50    52    58    59   0.00000  1.0 1.0
   50    52    58    60  -0.28300  1.0 1.0
   50    52    58    60   0.26700 -1.0 2.0
   50    52    58    60  -0.63300  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    58   7.00000 -1.0 2.0
   52    53   -55    56   2.00000 -1.0 2.0
   52    58    60    61   0.00000  1.0 1.0
   52    58    60    62  -0.28300  1.0 1.0
   52    58    60    62   0.26700 -1.0 2.0
   52    58    60    62  -0.63300  1.0 3.0
   53    52   -58    56   0.09700  1.0 1.0
   53    52   -58    56   0.15600 -1.0 2.0
   53    52   -58    56  -0.50800  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.09700  1.0 1.0
   53    52    58    60   0.15600 -1.0 2.0
   53    52    58    60  -0.50800  1.0 3.0
   53    55    56    57   0.08050  1.0 3.0
   53    55   -56    58  -0.25900  1.0 1.0
   53    55   -56    58  -0.47000 -1.0 2.0
   53    55   -56    58   0.11750  1.0 3.0
   53    55    56    73  -0.25900  1.0 1.0
   53    55    56    73  -0.47000 -1.0 2.0
   53    55    56    73   0.11750  1.0 3.0
   54    53    55    56   3.00000 -1.0 2.0
   55    56   -58    52   0.61850  1.0 1.0
   55    56   -58    52  -0.22750 -1.0 2.0
   55    56   -58    52   0.15300  1.0 3.0
   55    56    58    59   0.23400  1.0 3.0
   55    56    58    60   0.61850  1.0 1.0
   55    56    58    60  -0.22750 -1.0 2.0
   55    56    58    60   0.15300  1.0 3.0
   55    56    73    62   0.61850  1.0 1.0
   55    56    73    62  -0.22750 -1.0 2.0
   55    56    73    62   0.15300  1.0 3.0
   55    56    73    72   0.62750  1.0 1.0
   55    56    73    72  -0.30950 -1.0 2.0
   55    56    73    72   0.27300  1.0 3.0
   55    56    73    82   3.69350  1.0 1.0
   55    56    73    82  -1.82950 -1.0 2.0
   56    58    60    61   0.00000  1.0 1.0
   56    58   -60    62   0.09850  1.0 1.0
   56    58   -60    62   0.15250 -1.0 2.0
   56    58   -60    62  -0.50650  1.0 3.0
   56    73    82    83  -0.11600  1.0 1.0
   56    73    82    83  -0.09450 -1.0 2.0
   56    73    82    83   0.21250  1.0 3.0
   57    56    58    52   0.15000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    73    62   0.15000  1.0 3.0
   57    56    73    72   0.15000  1.0 3.0
   57    56    73    82   0.23400  1.0 3.0
   58    52    53    54  -0.64400  1.0 1.0
   58    52    53    54   0.26850 -1.0 2.0
   58    52   -53    55  -0.15000  1.0 1.0
   58    52   -53    55   0.89550 -1.0 2.0
   58    52   -53    55  -0.06900  1.0 3.0
   58    56   -73    62   0.34400  1.0 1.0
   58    56   -73    62   0.09450 -1.0 2.0
   58    56   -73    62   0.11100  1.0 3.0
   58    56    73    72   0.56750  1.0 1.0
   58    56    73    72  -0.07550 -1.0 2.0
   58    56    73    72   0.20000  1.0 3.0
   58    56    73    82   0.86500  1.0 1.0
   58    56    73    82  -0.17500 -1.0 2.0
   58    56    73    82   0.20800  1.0 3.0
   58    60    62    63   7.00000 -1.0 2.0
   58    60   -62    73   7.00000 -1.0 2.0
   59    58    60    61   0.33100  1.0 3.0
   59    58    60    62   0.00000  1.0 1.0
   60    62    63    64   0.00000  1.0 1.0
   60    62    63    65   0.00000  1.0 1.0
   60    62    63    66   0.09850  1.0 1.0
   60    62    63    66   0.15250 -1.0 2.0
   60    62    63    66  -0.50650  1.0 3.0
   60    62   -73    56   0.09850  1.0 1.0
   60    62   -73    56   0.15250 -1.0 2.0
   60    62   -73    56  -0.50650  1.0 3.0
   60    62    73    72   0.09850  1.0 1.0
   60    62    73    72   0.15250 -1.0 2.0
   60    62    73    72  -0.50650  1.0 3.0
   60    62    73    82   0.67800  1.0 1.0
   60    62    73    82   0.47050 -1.0 2.0
   60    62    73    82  -0.62500  1.0 3.0
   61    60    62    63   7.00000 -1.0 2.0
   61    60    62    73   7.00000 -1.0 2.0
   62    63    66    67   0.15000  1.0 3.0
   62    63    66    68   0.15000  1.0 3.0
   62    63    66    69   0.34400  1.0 1.0
   62    63    66    69   0.09450 -1.0 2.0
   62    63    66    69   0.11100  1.0 3.0
   62    73    82    83  -0.07800  1.0 1.0
   62    73    82    83  -0.21500 -1.0 2.0
   62    73    82    83  -0.03150  1.0 3.0
   63    62    73    56   0.46850  1.0 1.0
   63    62    73    56   0.08550 -1.0 2.0
   63    62    73    56   0.09800  1.0 3.0
   63    62    73    72   0.46850  1.0 1.0
   63    62    73    72   0.08550 -1.0 2.0
   63    62    73    72   0.09800  1.0 3.0
   63    62    73    82   0.18000  1.0 1.0
   63    62    73    82   0.16450 -1.0 2.0
   63    62    73    82   0.04450  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66   -69    72   0.56750  1.0 1.0
   63    66   -69    72  -0.07550 -1.0 2.0
   63    66   -69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    72    73   0.56750  1.0 1.0
   66    69    72    73  -0.07550 -1.0 2.0
   66    69    72    73   0.20000  1.0 3.0
   66    69    72    74   0.56750  1.0 1.0
   66    69    72    74  -0.07550 -1.0 2.0
   66    69    72    74   0.20000  1.0 3.0
   66    69    72    78   0.56750  1.0 1.0
   66    69    72    78  -0.07550 -1.0 2.0
   66    69    72    78   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    73    56   0.56750  1.0 1.0
   69    72    73    56  -0.07550 -1.0 2.0
   69    72    73    56   0.20000  1.0 3.0
   69    72   -73    62   0.34400  1.0 1.0
   69    72   -73    62   0.09450 -1.0 2.0
   69    72   -73    62   0.11100  1.0 3.0
   69    72    73    82   0.86500  1.0 1.0
   69    72    73    82  -0.17500 -1.0 2.0
   69    72    73    82   0.20800  1.0 3.0
   69    72    74    75   0.15000  1.0 3.0
   69    72    74    76   0.15000  1.0 3.0
   69    72    74    77   0.15000  1.0 3.0
   69    72    78    79   0.15000  1.0 3.0
   69    72    78    80   0.15000  1.0 3.0
   69    72    78    81   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    78   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    78   0.15000  1.0 3.0
   72    73    82    83  -0.11600  1.0 1.0
   72    73    82    83  -0.09450 -1.0 2.0
   72    73    82    83   0.21250  1.0 3.0
   73    56    58    52   0.34400  1.0 1.0
   73    56    58    52   0.09450 -1.0 2.0
   73    56    58    52   0.11100  1.0 3.0
   73    56    58    59   0.15000  1.0 3.0
   73    56   -58    60   0.34400  1.0 1.0
   73    56   -58    60   0.09450 -1.0 2.0
   73    56   -58    60   0.11100  1.0 3.0
   73    62    63    64   0.34800  1.0 3.0
   73    62    63    65   0.34800  1.0 3.0
   73    62   -63    66   0.46850  1.0 1.0
   73    62   -63    66   0.08550 -1.0 2.0
   73    62   -63    66   0.09800  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    81   0.15000  1.0 3.0
   74    72    73    56   0.56750  1.0 1.0
   74    72    73    56  -0.07550 -1.0 2.0
   74    72    73    56   0.20000  1.0 3.0
   74    72    73    62   0.34400  1.0 1.0
   74    72    73    62   0.09450 -1.0 2.0
   74    72    73    62   0.11100  1.0 3.0
   74    72    73    82   0.86500  1.0 1.0
   74    72    73    82  -0.17500 -1.0 2.0
   74    72    73    82   0.20800  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    81   0.15000  1.0 3.0
   78    72    73    56   0.56750  1.0 1.0
   78    72    73    56  -0.07550 -1.0 2.0
   78    72    73    56   0.20000  1.0 3.0
   78    72    73    62   0.34400  1.0 1.0
   78    72    73    62   0.09450 -1.0 2.0
   78    72    73    62   0.11100  1.0 3.0
   78    72    73    82   0.86500  1.0 1.0
   78    72    73    82  -0.17500 -1.0 2.0
   78    72    73    82   0.20800  1.0 3.0
   78    72    74    75   0.15000  1.0 3.0
   78    72    74    76   0.15000  1.0 3.0
   78    72    74    77   0.15000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.36750  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
   38    46    40    41  10.50000 -1.0 2.0
   49    51    50    52   1.10000 -1.0 2.0
   53    58    52    50   1.10000 -1.0 2.0
   52    55    53    54  10.50000 -1.0 2.0
   58    61    60    62   1.10000 -1.0 2.0
   63    73    62    60   1.10000 -1.0 2.0
END
