* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    164    245     478
    1     0 S   NP   _N1_     1    28.85889    93.20713   -20.99702
    2     1 S   H    _HN1     2     1.02782    22.37517   161.77420
    3     1 S   H    _H1_     3     1.02962    92.80344   -64.43460
    4     1 S   H    _H2_     4     1.03000    97.29015    43.61911
    5     1 S   CT   _CA1     5     1.50085   133.27438   170.61280
    6     5 S   HC   _HA1     6     1.09572   105.29539    54.05894
    7     5 S   CO3  _C1_     7     1.53791   112.24118   -66.11082
    8     7 S   O2Z  _O11     8     1.26366   115.05132   -44.88488
    9     7 S   O2Z  _O12     9     1.26247   114.93820   134.25740
   10     5 S   CT   _CB1    10     1.53039   107.38089   171.80873
   11    10 S   HC   HB11    11     1.09796   109.10545   -52.64068
   12    10 S   HC   HB12    12     1.09805   110.39301    63.83438
   13    10 S   CT   _CG1    13     1.53028   113.05646  -173.98119
   14    13 S   HC   HG11    14     1.09576   110.18708   -62.54468
   15    13 S   HC   HG12    15     1.09607   110.38057    56.75447
   16    13 S   C    _CD1    16     1.51803   111.67893   176.57549
   17    16 S   O    _OE1    17     1.22724   122.90262   -19.89178
   18    16 S   N    _N2_    18     1.38539   112.10281   161.26220
   19    18 S   H    _HN2    19     1.01567   119.14774     2.30681
   20    18 S   CT1  _CA2    20     1.46241   123.22215  -178.06882
   21    20 S   HC   _HA2    21     1.09625   109.22106    -8.27792
   22    20 S   C    _C2_    22     1.53360   108.65898  -123.75290
   23    22 S   O    _O2_    23     1.23052   122.34021  -148.24736
   24    20 S   CT   _CB2    32     1.53471   111.33054   113.92445
   25    24 S   HC   HB21    33     1.09647   109.61691    57.07818
   26    24 S   HC   HB22    34     1.09497   111.47238   174.83863
   27    22 S   N    _N3_    24     1.38374   113.58045    39.24661
   28    27 S   H    _HN3    25     1.01648   119.48379    -3.54221
   29    24 S   S    _SG2    35     1.82866   113.04623   -62.04215
   30    27 S   CT   _CA3    26     1.45284   123.00099   176.80157
   31    30 S   HC   HA31    27     1.09558   107.48569   -63.96810
   32    30 S   HC   HA32    28     1.09562   107.95357    52.38669
   33    29 S   CT   _C23    36     1.84019   100.22017   -81.12596
   34    33 S   HC   _H3_    37     1.09364   106.46325    27.12075
   35    30 S   CO3  _C3_    29     1.52901   114.27401   174.37597
   36    35 S   O2Z  _O31    30     1.26340   116.10873    -2.03375
   37    35 S   O2Z  _O32    31     1.26443   114.38597   178.05831
   38    33 S   CM   _C9_    38     1.53653   110.64950   146.67926
   39    33 S   CT   _C17    86     1.52933   109.88812   -88.44031
   40    39 S   HC   _H41    87     1.09516   112.68634   -57.43650
   41    39 S   HC   _H42    88     1.09602   110.53681  -177.86183
   42    39 S   HC   _H43    89     1.09578   111.07325    63.39192
   43    38 S   CMA  _C10    39     1.36837   121.88455  -124.90009
   44    43 S   OM   _O21    40     1.26917   125.42167    -2.53644
   45    38 S   CT   _C15    82     1.51989   116.01010    55.95345
   46    45 S   HC   _H35    83     1.09438   110.56930   -76.92979
   47    45 S   HC   _H36    84     1.09411   113.44009   162.45984
   48    45 S   HC   _H37    85     1.09383   111.04254    43.63410
   49    43 S   OS   _O26    41     1.41825   111.58173   178.38226
   50    49 S   CT   _C12    42     1.44474   116.97569  -142.35761
   51    50 S   HC   _H32    43     1.09519   109.95916   -46.32500
   52    50 S   CM   _C5_    44     1.52825   105.95408  -163.33700
   53    52 S   CM   _C4_    45     1.35637   120.51033   -93.71644
   54    52 S   CT   _C22    65     1.53787   115.57098    87.07156
   55    54 S   HC   _H52    66     1.09198   109.76023  -169.12511
   56    53 S   CT   _C11    46     1.51771   122.48508     0.43341
   57    56 S   HC   _H30    47     1.09840   107.97505   115.61883
   58    56 S   HC   _H31    48     1.09828   108.42136  -130.67531
   59    53 S   CT   _C18    60     1.51193   125.44948   179.62570
   60    59 S   HC   _H44    61     1.08930   114.74808   -13.32225
   61    59 S   HC   _H45    62     1.09609   109.82351  -133.23689
   62    54 S   CT   _C16    67     1.53409   112.59470   -52.86012
   63    62 S   HC   _H38    68     1.09451   111.91858    72.99504
   64    62 S   HC   _H39    69     1.09555   111.06263   -48.42569
   65    62 S   HC   _H40    70     1.09498   110.86136  -167.13202
   66    54 S   CT   _C20    71     1.54524   110.45845    73.70016
   67    66 S   HC   _H48    72     1.09658   110.41296   -69.20303
   68    66 S   HC   _H49    73     1.09810   109.02525    47.73351
   69    56 S   CT   _C14    49     1.53357   117.54380    -6.37837
   70    69 S   HC   _H34    50     1.09631   109.94740   110.03651
   71    59 S   OH   _O24    63     1.42238   108.99789   108.04327
   72    71 S   HO   _H54    64     0.97221   106.99604   178.08051
   73    66 S   CT   _C19    74     1.53042   113.29206   168.67559
   74    73 S   HC   _H46    75     1.09699   110.30711   -54.17977
   75    73 S   HC   _H47    76     1.09603   110.78917    62.95176
   76    50 S   CT   _C13    51     1.53396   109.67076    73.42453
   77    76 S   HC   _H33    52     1.09772   109.73043   -49.22052
   78    73 S   CT   _C21    77     1.52312   111.45706  -175.72923
   79    78 S   HC   _H50    78     1.09465   110.92975    60.56430
   80    78 S   HC   _H51    79     1.09467   110.88718   -60.72121
   81    76 S   CM   _C6_    53     1.49200   119.37283  -171.80418
   82    78 S   OH   _O25    80     1.42099   108.87286   179.90109
   83    82 S   HO   _H55    81     0.97238   107.04048   179.83331
   84    81 S   CO4  _C7_    54     1.47871   107.34741  -150.88738
   85    84 S   O    _O22    55     1.21772   127.33737  -166.54388
   86    81 S   CM   _C8_    57     1.33487   130.69690    28.31054
   87    86 S   HC   _H28    58     1.08416   121.24716     1.05610
   88    86 S   HC   _H29    59     1.08511   121.58757  -179.44751
   89    69 S   OS   _O23    56     1.44562   108.48816  -132.36384
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
   9  17   7  22  16  15   8  13   6   5   5   3   2   7   3   2
   1   9   5   4   8   5   1   1   7   5   4   8   4   4   3   2
   6   1   1   5   2   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    76    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    69    76    77    81    54  
   51    52    53    56    69    70    76    77    81    84    89    86    59    54    55    62    66  
   52    53    69    76    77    81    54  
   53    56    57    58    69    76    77    81    59    60    61    71    54    55    62    63    64    65    66    67    68    73  
   56    57    58    69    70    76    89    59    60    61    71    72    54    55    62    66  
   55    62    63    64    65    66    67    68    73    74    75    78    56    59    76  
   62    63    64    65    66    67    68    73  
   57    58    69    70    76    77    81    84    89    59    60    61    71  
   58    69    70    76    89    59  
   69    70    76    89    59  
   60    61    71    72    69  
   61    71    72  
   71    72  
   63    64    65    66    67    68    73  
   64    65    66  
   65    66  
   66  
   67    68    73    74    75    78    79    80    82  
   68    73    74    75    78  
   73    74    75    78  
   70    76    77    81    84    85    89    86  
   76    77    81    84    89  
   72  
    0  
   74    75    78    79    80    82    83  
   75    78    79    80    82  
   78    79    80    82  
   77    81    84    85    89    86    87    88  
   81    84    89    86  
   79    80    82    83  
   80    82    83  
   82    83  
   84    85    89    86    87    88  
   83  
    0  
   85    89    86    87    88  
   89    86  
   87    88    89  
   88  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.145000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    76   268.000  1.529
   52    53   549.000  1.340
   52    54   317.000  1.510
   53    56   317.000  1.510
   53    59   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    69   268.000  1.529
   69    70   340.000  1.090
   69    76   268.000  1.529
   69    89   320.000  1.410
   76    77   340.000  1.090
   76    81   317.000  1.510
   81    84   320.000  1.462
   81    86   549.000  1.340
   84    85   570.000  1.229
   84    89   214.000  1.327
   86    87   340.000  1.080
   86    88   340.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    71   320.000  1.410
   71    72   553.000  0.945
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    82   320.000  1.410
   82    83   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  110.90400
   49    50    76    50.00000  109.50000
   50    52    53    70.00000  124.00000
   50    52    54    65.00000  117.92700
   50    76    69    58.35000  112.70000
   50    76    77    37.50000  110.70000
   50    76    81    70.00000  112.02700
   52    50    51    35.00000  109.50000
   52    53    56    70.00000  124.00000
   52    53    59    70.00000  124.00000
   52    54    55    35.00000  109.50000
   52    54    62    70.00000  112.02700
   52    54    66    70.00000  112.02700
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    69    70.00000  112.02700
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    71    90.00000  110.39200
   56    69    70    37.50000  110.70000
   56    69    76    58.35000  112.70000
   56    69    89    50.00000  109.50000
   58    56    57    33.00000  107.80000
   69    56    57    37.50000  110.70000
   69    56    58    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    81    70.00000  112.02700
   69    89    84    83.00000  116.90000
   76    50    51    37.50000  110.70000
   76    50    52    70.00000  112.02700
   76    69    70    37.50000  110.70000
   76    81    84    65.00000  116.34900
   76    81    86    70.00000  124.00000
   81    76    77    35.00000  109.50000
   81    84    85    80.00000  123.72100
   81    84    89    90.00000  111.29400
   81    86    87    35.00000  120.00000
   81    86    88    35.00000  120.00000
   89    69    70    35.00000  109.50000
   89    69    76    50.00000  109.50000
   89    84    85    83.00000  123.40000
   86    81    84    65.00000  118.96000
   88    86    87    35.00000  117.00000
   59    53    56    65.00000  117.92700
   59    71    72    55.00000  108.50000
   61    59    60    33.00000  107.80000
   71    59    60    35.00000  109.50000
   71    59    61    35.00000  109.50000
   54    52    53    70.00000  124.00000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    65    37.50000  110.70000
   54    66    67    37.50000  110.70000
   54    66    68    37.50000  110.70000
   54    66    73    58.35000  112.70000
   62    54    55    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    54    55    37.50000  110.70000
   66    54    62    58.35000  112.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    78    58.35000  112.70000
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    82    50.00000  109.50000
   75    73    74    33.00000  107.80000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    82    83    55.00000  108.50000
   80    78    79    33.00000  107.80000
   82    78    79    35.00000  109.50000
   82    78    80    35.00000  109.50000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.48150  1.0 1.0
   43    49    50    52   0.09250 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    76  -0.46850  1.0 1.0
   43    49    50    76   0.09300 -1.0 2.0
   43    49    50    76  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.39000  1.0 1.0
   49    50    52    53  -0.05800 -1.0 2.0
   49    50    52    53  -0.55150  1.0 3.0
   49    50    52    54   0.09700  1.0 1.0
   49    50    52    54   0.15600 -1.0 2.0
   49    50    52    54  -0.50800  1.0 3.0
   49    50    76    69   0.62750  1.0 1.0
   49    50    76    69  -0.30950 -1.0 2.0
   49    50    76    69   0.27300  1.0 3.0
   49    50    76    77   0.23400  1.0 3.0
   49    50    76    81   0.61850  1.0 1.0
   49    50    76    81  -0.22750 -1.0 2.0
   49    50    76    81   0.15300  1.0 3.0
   50    52    53    56   7.00000 -1.0 2.0
   50    52    53    59   7.00000 -1.0 2.0
   50    52    54    55   0.34800  1.0 3.0
   50    52    54    62   0.46850  1.0 1.0
   50    52    54    62   0.08550 -1.0 2.0
   50    52    54    62   0.09800  1.0 3.0
   50    52    54    66   0.46850  1.0 1.0
   50    52    54    66   0.08550 -1.0 2.0
   50    52    54    66   0.09800  1.0 3.0
   50    76    81    84   0.09700  1.0 1.0
   50    76    81    84   0.15600 -1.0 2.0
   50    76    81    84  -0.50800  1.0 3.0
   50    76    81    86   0.09850  1.0 1.0
   50    76    81    86   0.15250 -1.0 2.0
   50    76    81    86  -0.50650  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.34800  1.0 3.0
   51    50    76    69   0.15000  1.0 3.0
   51    50    76    77   0.15000  1.0 3.0
   51    50    76    81   0.15000  1.0 3.0
   52    50    76    69   0.34400  1.0 1.0
   52    50    76    69   0.09450 -1.0 2.0
   52    50    76    69   0.11100  1.0 3.0
   52    50    76    77   0.15000  1.0 3.0
   52    50    76    81   0.31000  1.0 1.0
   52    50    76    81   0.14700 -1.0 2.0
   52    50    76    81   0.07550  1.0 3.0
   52    53    56    57   0.00000  1.0 1.0
   52    53    56    58   0.00000  1.0 1.0
   52    53   -56    69   0.09850  1.0 1.0
   52    53   -56    69   0.15250 -1.0 2.0
   52    53   -56    69  -0.50650  1.0 3.0
   52    53    59    60   0.00000  1.0 1.0
   52    53    59    61   0.00000  1.0 1.0
   52    53    59    71   0.67800  1.0 1.0
   52    53    59    71   0.47050 -1.0 2.0
   52    53    59    71  -0.62500  1.0 3.0
   52    54    62    63   0.15000  1.0 3.0
   52    54    62    64   0.15000  1.0 3.0
   52    54    62    65   0.15000  1.0 3.0
   52    54    66    67   0.15000  1.0 3.0
   52    54    66    68   0.15000  1.0 3.0
   52    54    66    73   0.34400  1.0 1.0
   52    54    66    73   0.09450 -1.0 2.0
   52    54    66    73   0.11100  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    62   0.09850  1.0 1.0
   53    52    54    62   0.15250 -1.0 2.0
   53    52    54    62  -0.50650  1.0 3.0
   53    52    54    66   0.09850  1.0 1.0
   53    52    54    66   0.15250 -1.0 2.0
   53    52    54    66  -0.50650  1.0 3.0
   53    56    69    70   0.15000  1.0 3.0
   53    56    69    76   0.34400  1.0 1.0
   53    56    69    76   0.09450 -1.0 2.0
   53    56    69    76   0.11100  1.0 3.0
   53    56    69    89   0.61850  1.0 1.0
   53    56    69    89  -0.22750 -1.0 2.0
   53    56    69    89   0.15300  1.0 3.0
   53    59    71    72  -0.07800  1.0 1.0
   53    59    71    72  -0.21500 -1.0 2.0
   53    59    71    72  -0.03150  1.0 3.0
   56    53    59    60   0.34800  1.0 3.0
   56    53    59    61   0.34800  1.0 3.0
   56    53    59    71   0.18000  1.0 1.0
   56    53    59    71   0.16450 -1.0 2.0
   56    53    59    71   0.04450  1.0 3.0
   56    69   -76    50   0.56750  1.0 1.0
   56    69   -76    50  -0.07550 -1.0 2.0
   56    69   -76    50   0.20000  1.0 3.0
   56    69    76    77   0.15000  1.0 3.0
   56    69    76    81   0.34400  1.0 1.0
   56    69    76    81   0.09450 -1.0 2.0
   56    69    76    81   0.11100  1.0 3.0
   56    69    89    84  -0.25900  1.0 1.0
   56    69    89    84  -0.47000 -1.0 2.0
   56    69    89    84   0.11750  1.0 3.0
   57    56    69    70   0.15000  1.0 3.0
   57    56    69    76   0.15000  1.0 3.0
   57    56    69    89   0.23400  1.0 3.0
   58    56    69    70   0.15000  1.0 3.0
   58    56    69    76   0.15000  1.0 3.0
   58    56    69    89   0.23400  1.0 3.0
   69    76   -81    84   0.09700  1.0 1.0
   69    76   -81    84   0.15600 -1.0 2.0
   69    76   -81    84  -0.50800  1.0 3.0
   69    76    81    86   0.09850  1.0 1.0
   69    76    81    86   0.15250 -1.0 2.0
   69    76    81    86  -0.50650  1.0 3.0
   70    69    76    50   0.15000  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    81   0.15000  1.0 3.0
   70    69    89    84   0.08050  1.0 3.0
   76    50   -52    53   0.09850  1.0 1.0
   76    50   -52    53   0.15250 -1.0 2.0
   76    50   -52    53  -0.50650  1.0 3.0
   76    50    52    54   0.46850  1.0 1.0
   76    50    52    54   0.08550 -1.0 2.0
   76    50    52    54   0.09800  1.0 3.0
   76    69   -89    84  -0.25900  1.0 1.0
   76    69   -89    84  -0.47000 -1.0 2.0
   76    69   -89    84   0.11750  1.0 3.0
   76    81    84    85  -0.64400  1.0 1.0
   76    81    84    85   0.26850 -1.0 2.0
   76    81   -84    89  -0.15000  1.0 1.0
   76    81   -84    89   0.89550 -1.0 2.0
   76    81   -84    89  -0.06900  1.0 3.0
   76    81    86    87   7.00000 -1.0 2.0
   76    81    86    88   7.00000 -1.0 2.0
   77    76    81    84   0.15000  1.0 3.0
   77    76    81    86   0.00000  1.0 1.0
   81    84   -89    69   2.00000 -1.0 2.0
   84    81    86    87   7.00000 -1.0 2.0
   84    81    86    88   7.00000 -1.0 2.0
   85    84    89    69   3.00000 -1.0 2.0
   89    69    76    50   0.62750  1.0 1.0
   89    69    76    50  -0.30950 -1.0 2.0
   89    69    76    50   0.27300  1.0 3.0
   89    69    76    77   0.23400  1.0 3.0
   89    69   -76    81   0.61850  1.0 1.0
   89    69   -76    81  -0.22750 -1.0 2.0
   89    69   -76    81   0.15300  1.0 3.0
   86    81    84    85   1.00000 -1.0 2.0
   86    81    84    89  -0.56150  1.0 1.0
   86    81    84    89   2.19150 -1.0 2.0
   59    53    56    57   0.34800  1.0 3.0
   59    53    56    58   0.34800  1.0 3.0
   59    53    56    69   0.46850  1.0 1.0
   59    53    56    69   0.08550 -1.0 2.0
   59    53    56    69   0.09800  1.0 3.0
   60    59    71    72   0.19450  1.0 3.0
   61    59    71    72   0.19450  1.0 3.0
   54    52    53    56   7.00000 -1.0 2.0
   54    52    53    59   7.00000 -1.0 2.0
   54    66    73    74   0.15000  1.0 3.0
   54    66    73    75   0.15000  1.0 3.0
   54    66    73    78   0.56750  1.0 1.0
   54    66    73    78  -0.07550 -1.0 2.0
   54    66    73    78   0.20000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    65   0.15000  1.0 3.0
   55    54    66    67   0.15000  1.0 3.0
   55    54    66    68   0.15000  1.0 3.0
   55    54    66    73   0.15000  1.0 3.0
   62    54    66    67   0.15000  1.0 3.0
   62    54    66    68   0.15000  1.0 3.0
   62    54    66    73   0.56750  1.0 1.0
   62    54    66    73  -0.07550 -1.0 2.0
   62    54    66    73   0.20000  1.0 3.0
   66    54    62    63   0.15000  1.0 3.0
   66    54    62    64   0.15000  1.0 3.0
   66    54    62    65   0.15000  1.0 3.0
   66    73    78    79   0.15000  1.0 3.0
   66    73    78    80   0.15000  1.0 3.0
   66    73    78    82   0.86500  1.0 1.0
   66    73    78    82  -0.17500 -1.0 2.0
   66    73    78    82   0.20800  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    78   0.15000  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    78   0.15000  1.0 3.0
   73    78    82    83  -0.11600  1.0 1.0
   73    78    82    83  -0.09450 -1.0 2.0
   73    78    82    83   0.21250  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    82   0.23400  1.0 3.0
   75    73    78    79   0.15000  1.0 3.0
   75    73    78    80   0.15000  1.0 3.0
   75    73    78    82   0.23400  1.0 3.0
   79    78    82    83   0.19450  1.0 3.0
   80    78    82    83   0.19450  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   50    54    52    53   1.10000 -1.0 2.0
   56    59    53    52   1.10000 -1.0 2.0
   76    84    81    86   1.10000 -1.0 2.0
   81    89    84    85  10.50000 -1.0 2.0
   87    88    86    81   1.10000 -1.0 2.0
END
