* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    165    258     489
    1     0 S   NP   _N1_     1    31.53646    96.72981   -14.66800
    2     1 S   H    _HN1     2     1.02797    56.72569  -126.54741
    3     1 S   H    _H1_     3     1.02865    70.11076     2.82764
    4     1 S   H    _H2_     4     1.02944    80.85366   115.15467
    5     1 S   CT   _CA1     5     1.50406   167.10220   -95.53516
    6     5 S   HC   _HA1     6     1.09702   104.68354   -84.87809
    7     5 S   CO3  _C1_     7     1.54386   110.85398   158.96411
    8     7 S   O2Z  _O11     8     1.26040   116.55461  -109.58470
    9     7 S   O2Z  _O12     9     1.26527   113.79132    69.03421
   10     5 S   CT   _CB1    10     1.53119   107.08061    30.98966
   11    10 S   HC   HB11    11     1.09824   109.79913   -45.87968
   12    10 S   HC   HB12    12     1.09779   110.40269    70.86188
   13    10 S   CT   _CG1    13     1.52916   112.11941  -166.54780
   14    13 S   HC   HG11    14     1.09515   110.54744   -58.65999
   15    13 S   HC   HG12    15     1.09650   110.00423    60.40067
   16    13 S   C    _CD1    16     1.51637   112.48564  -179.42699
   17    16 S   O    _OE1    17     1.22695   123.36458    -8.60565
   18    16 S   N    _N2_    18     1.38552   111.36181   171.74472
   19    18 S   H    _HN2    19     1.01470   119.03282     1.37842
   20    18 S   CT1  _CA2    20     1.45854   123.68401  -178.16133
   21    20 S   HC   _HA2    21     1.09723   109.09370   -10.62801
   22    20 S   C    _C2_    22     1.53467   108.86225  -126.25717
   23    22 S   O    _O2_    23     1.23033   122.23899  -154.24561
   24    20 S   CT   _CB2    32     1.53461   111.81074   111.20098
   25    24 S   HC   HB21    33     1.09515   111.23891    61.25371
   26    24 S   HC   HB22    34     1.09572   109.55218   178.76584
   27    22 S   N    _N3_    24     1.38313   113.65250    32.85565
   28    27 S   H    _HN3    25     1.01622   119.22885    -2.42091
   29    24 S   S    _SG2    35     1.82884   112.49947   -63.10517
   30    27 S   CT   _CA3    26     1.45286   123.51818   177.70092
   31    30 S   HC   HA31    27     1.09524   107.18904   -77.37087
   32    30 S   HC   HA32    28     1.09538   108.57718    39.27547
   33    29 S   CT   _C23    36     1.84150   100.36610    97.44450
   34    33 S   HC   _H3_    37     1.09221   106.90422   -38.12067
   35    30 S   CO3  _C3_    29     1.52973   113.89739   161.80770
   36    35 S   O2Z  _O31    30     1.26379   116.05041     5.50388
   37    35 S   O2Z  _O32    31     1.26410   114.42922  -174.42736
   38    33 S   CM   _C8_    38     1.53328   110.83102    83.55813
   39    33 S   CT   _C22    83     1.53018   108.92558  -151.82131
   40    39 S   HC   _H49    84     1.09535   112.79365   -57.32886
   41    39 S   HC   _H50    85     1.09609   110.50086  -178.04255
   42    39 S   HC   _H51    86     1.09640   110.79393    63.35383
   43    38 S   CMA  _C9_    39     1.36892   123.08103  -118.45403
   44    43 S   OM   _O21    40     1.26929   124.89927   179.21292
   45    38 S   CT   _C18    79     1.52394   115.35317    63.19240
   46    45 S   HC   _H37    80     1.09380   111.14897   -60.82806
   47    45 S   HC   _H38    81     1.09428   113.58215   179.28976
   48    45 S   HC   _H39    82     1.09424   110.50242    59.87353
   49    43 S   OS   _O25    41     1.42243   111.82894    -0.22381
   50    49 S   CT   _C16    42     1.46052   117.17741  -148.80181
   51    50 S   HC   _H36    43     1.09548   108.68478   -36.35832
   52    50 S   CT   _C13    44     1.55321   106.48674    82.11131
   53    52 S   HC   _H33    45     1.10384   105.08712   -19.76697
   54    50 S   CT   _C17    66     1.54949   106.17838  -151.07879
   55    52 S   CT   _C12    46     1.53324   117.51150  -132.27346
   56    55 S   HC   _H32    47     1.09715   108.37285    79.61541
   57    54 S   CT   _C21    67     1.54145   112.96584   159.98439
   58    57 S   HC   _H46    68     1.08552   113.77797    61.45409
   59    57 S   HC   _H47    69     1.09713   110.66454   -58.84906
   60    57 S   HC   _H48    70     1.09689   111.69584  -177.29383
   61    55 S   CO4  _C7_    48     1.50732   101.65979  -166.57234
   62    61 S   O    _O23    49     1.22204   125.37367  -167.08187
   63    55 S   CT   _C19    75     1.51703   119.17011   -45.60830
   64    63 S   HC   _H40    76     1.09229   112.53507   -66.02091
   65    63 S   HC   _H41    77     1.09663   109.78556   176.19481
   66    63 S   HC   _H42    78     1.09257   111.94557    57.50375
   67    61 S   OS   _O24    50     1.36546   110.45439    13.64234
   68    52 S   CT   _C15    51     1.52927   122.83810    95.41999
   69    68 S   HC   _H35    52     1.09604   109.97990   -79.33887
   70    68 S   CT   _C10    53     1.52841   120.24000    49.15295
   71    70 S   HC   _H29    54     1.09960   108.33142   158.41532
   72    70 S   HC   _H30    55     1.09141   109.87373    47.36542
   73    70 S   CT   _C14    56     1.54298   116.12935   -78.64240
   74    73 S   HC   _H34    57     1.09824   107.78448   152.95998
   75    73 S   CT   _C11    58     1.54031   113.08737    31.70548
   76    75 S   HC   _H31    59     1.09916   107.58828   -70.44687
   77    73 S   CT   _C20    71     1.53843   108.85723   -92.33396
   78    77 S   HC   _H43    72     1.09330   111.13229    62.83818
   79    77 S   HC   _H44    73     1.09568   110.70777   -56.87949
   80    77 S   HC   _H45    74     1.09355   111.92498  -175.97883
   81    75 S   CM   _C5_    60     1.50807   115.38089   172.87255
   82    81 S   HC   _H28    61     1.08216   123.24351    42.49103
   83    81 S   CM   _C4_    62     1.33358   114.65782  -143.47295
   84    83 S   HC   _H27    63     1.07521   128.78171  -175.84664
   85    83 S   CO4  _C6_    64     1.46959   105.58023     4.32096
   86    85 S   O    _O22    65     1.22236   122.32411  -173.58228
  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
  10  23   8  20   9  18  11   8  10   4   3   2   9   3   5   2
   1   1   6   8   4  11   5   4  11   7  11   5   4   2   1   1
   5   3   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    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    54    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    55    68    75    85    54    57  
   51    52    53    55    56    61    67    68    69    70    73    75    76    81    83    85    86    54    57    58    59    60    63  
   52    53    55    68    75    85    54    57  
   53    55    56    61    62    67    68    69    70    71    72    73    75    85    54    57    63    64    65    66  
   55    56    61    67    68    69    70    54    63  
   57    58    59    60    77    55    68    70    73    74    75    76    81    82    83    84    85    86  
   56    61    62    67    68    69    70    63    64    65    66  
   61    62    67    68    63    64    65    66  
   58    59    60    73    75    76    81    83    85    86  
   59    60    75    85  
   60    75    85  
   75    85  
   62    67    68    69    70    63    64    65    66  
   67    68    63  
   64    65    66    67    68  
   65    66  
   66  
    0  
   68    69    70    71    72    73  
   69    70    71    72    73    74    75    77  
   70    71    72    73  
   71    72    73    74    75    76    81    77    78    79    80  
   72    73    74    75    77  
   73    74    75    77  
   74    75    76    81    82    83    85    77    78    79    80  
   75    76    81    77    78    79    80  
   76    81    82    83    84    85    86    77    78    79    80  
   81    82    83    85    77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84    85    86  
   83    84    85  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    68   268.000  1.529
   55    56   340.000  1.090
   55    61   317.000  1.522
   55    63   268.000  1.529
   61    62   570.000  1.229
   61    67   214.000  1.327
   67    68   320.000  1.410
   68    69   340.000  1.090
   68    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    77   268.000  1.529
   75    76   340.000  1.090
   75    81   317.000  1.510
   75    54   268.000  1.529
   81    82   340.000  1.080
   81    83   549.000  1.340
   83    84   340.000  1.080
   83    85   320.000  1.462
   85    86   570.000  1.229
   85    54   317.000  1.522
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   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    50.00000  109.50000
   49    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    52    68    58.35000  112.70000
   50    54    75    58.35000  112.70000
   50    54    85    63.00000  111.10000
   50    54    57    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    61    63.00000  111.10000
   52    55    63    58.35000  112.70000
   52    68    67    50.00000  109.50000
   52    68    69    37.50000  110.70000
   52    68    70    58.35000  112.70000
   55    52    53    37.50000  110.70000
   55    61    62    80.00000  120.40000
   55    61    67    81.00000  111.40000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   61    55    56    35.00000  109.50000
   61    67    68    83.00000  116.90000
   67    61    62    83.00000  123.40000
   67    68    69    35.00000  109.50000
   67    68    70    50.00000  109.50000
   68    52    53    37.50000  110.70000
   68    52    55    58.35000  112.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    58.35000  112.70000
   70    68    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    58.35000  112.70000
   70    73    77    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    81    70.00000  112.02700
   73    75    54    58.35000  112.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    80    37.50000  110.70000
   75    73    74    37.50000  110.70000
   75    81    82    35.00000  117.00000
   75    81    83    70.00000  124.00000
   75    54    85    63.00000  111.10000
   75    54    57    58.35000  112.70000
   81    75    76    35.00000  109.50000
   81    83    84    35.00000  120.00000
   81    83    85    65.00000  118.96000
   83    81    82    35.00000  120.00000
   83    85    86    80.00000  123.72100
   83    85    54    65.00000  118.62400
   85    83    84    40.00000  117.72500
   85    54    57    63.00000  111.10000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    75    76    37.50000  110.70000
   54    75    81    70.00000  112.02700
   54    85    86    80.00000  120.40000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   77    73    74    37.50000  110.70000
   77    73    75    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    61    63.00000  111.10000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   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  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    54  -0.46850  1.0 1.0
   43    49    50    54   0.09300 -1.0 2.0
   43    49    50    54  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    52    68   0.62750  1.0 1.0
   49    50    52    68  -0.30950 -1.0 2.0
   49    50    52    68   0.27300  1.0 3.0
   49    50    54    75   0.62750  1.0 1.0
   49    50    54    75  -0.30950 -1.0 2.0
   49    50    54    75   0.27300  1.0 3.0
   49    50    54    85  -0.09450  1.0 1.0
   49    50    54    85  -1.12950 -1.0 2.0
   49    50    54    85   0.54000  1.0 3.0
   49    50    54    57   0.62750  1.0 1.0
   49    50    54    57  -0.30950 -1.0 2.0
   49    50    54    57   0.27300  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    61  -0.95700  1.0 1.0
   50    52    55    61  -0.18200 -1.0 2.0
   50    52    55    61   0.29450  1.0 3.0
   50    52    55    63   0.56750  1.0 1.0
   50    52    55    63  -0.07550 -1.0 2.0
   50    52    55    63   0.20000  1.0 3.0
   50    52    68    67   0.62750  1.0 1.0
   50    52    68    67  -0.30950 -1.0 2.0
   50    52    68    67   0.27300  1.0 3.0
   50    52    68    69   0.15000  1.0 3.0
   50    52    68    70   0.56750  1.0 1.0
   50    52    68    70  -0.07550 -1.0 2.0
   50    52    68    70   0.20000  1.0 3.0
   50    54    57    58   0.15000  1.0 3.0
   50    54    57    59   0.15000  1.0 3.0
   50    54    57    60   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    68   0.15000  1.0 3.0
   51    50    54    75   0.15000  1.0 3.0
   51    50    54    85  -0.11250  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    75   0.56750  1.0 1.0
   52    50    54    75  -0.07550 -1.0 2.0
   52    50    54    75   0.20000  1.0 3.0
   52    50    54    85  -0.95700  1.0 1.0
   52    50    54    85  -0.18200 -1.0 2.0
   52    50    54    85   0.29450  1.0 3.0
   52    50    54    57   0.56750  1.0 1.0
   52    50    54    57  -0.07550 -1.0 2.0
   52    50    54    57   0.20000  1.0 3.0
   52    55    61    62   0.30150 -1.0 2.0
   52    55   -61    67   0.36750  1.0 3.0
   52    55    63    64   0.15000  1.0 3.0
   52    55    63    65   0.15000  1.0 3.0
   52    55    63    66   0.15000  1.0 3.0
   52    68    70    71   0.15000  1.0 3.0
   52    68    70    72   0.15000  1.0 3.0
   52    68    70    73   0.56750  1.0 1.0
   52    68    70    73  -0.07550 -1.0 2.0
   52    68    70    73   0.20000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    61  -0.11250  1.0 3.0
   53    52    55    63   0.15000  1.0 3.0
   53    52    68    67   0.23400  1.0 3.0
   53    52    68    69   0.15000  1.0 3.0
   53    52    68    70   0.15000  1.0 3.0
   55    52   -68    67   0.62750  1.0 1.0
   55    52   -68    67  -0.30950 -1.0 2.0
   55    52   -68    67   0.27300  1.0 3.0
   55    52    68    69   0.15000  1.0 3.0
   55    52    68    70   0.56750  1.0 1.0
   55    52    68    70  -0.07550 -1.0 2.0
   55    52    68    70   0.20000  1.0 3.0
   55    61   -67    68   1.63150  1.0 1.0
   55    61   -67    68   2.92000 -1.0 2.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    67   0.00000  1.0 1.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    66   0.15000  1.0 3.0
   61    55    63    64  -0.11250  1.0 3.0
   61    55    63    65  -0.11250  1.0 3.0
   61    55    63    66  -0.11250  1.0 3.0
   61    67   -68    52  -0.25900  1.0 1.0
   61    67   -68    52  -0.47000 -1.0 2.0
   61    67   -68    52   0.11750  1.0 3.0
   61    67    68    69   0.08050  1.0 3.0
   61    67    68    70  -0.25900  1.0 1.0
   61    67    68    70  -0.47000 -1.0 2.0
   61    67    68    70   0.11750  1.0 3.0
   62    61    67    68   3.00000 -1.0 2.0
   67    68    70    71   0.23400  1.0 3.0
   67    68    70    72   0.23400  1.0 3.0
   67    68    70    73   0.62750  1.0 1.0
   67    68    70    73  -0.30950 -1.0 2.0
   67    68    70    73   0.27300  1.0 3.0
   68    52    55    56   0.15000  1.0 3.0
   68    52   -55    61  -0.95700  1.0 1.0
   68    52   -55    61  -0.18200 -1.0 2.0
   68    52   -55    61   0.29450  1.0 3.0
   68    52    55    63   0.56750  1.0 1.0
   68    52    55    63  -0.07550 -1.0 2.0
   68    52    55    63   0.20000  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70    73    75   0.56750  1.0 1.0
   68    70    73    75  -0.07550 -1.0 2.0
   68    70    73    75   0.20000  1.0 3.0
   68    70    73    77   0.56750  1.0 1.0
   68    70    73    77  -0.07550 -1.0 2.0
   68    70    73    77   0.20000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   70    73    75    76   0.15000  1.0 3.0
   70    73    75    81   0.34400  1.0 1.0
   70    73    75    81   0.09450 -1.0 2.0
   70    73    75    81   0.11100  1.0 3.0
   70    73    75    54   0.56750  1.0 1.0
   70    73    75    54  -0.07550 -1.0 2.0
   70    73    75    54   0.20000  1.0 3.0
   70    73    77    78   0.15000  1.0 3.0
   70    73    77    79   0.15000  1.0 3.0
   70    73    77    80   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    77   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    77   0.15000  1.0 3.0
   73    75    81    82   0.00000  1.0 1.0
   73    75    81    83   0.09850  1.0 1.0
   73    75    81    83   0.15250 -1.0 2.0
   73    75    81    83  -0.50650  1.0 3.0
   73    75    54    50   0.56750  1.0 1.0
   73    75    54    50  -0.07550 -1.0 2.0
   73    75    54    50   0.20000  1.0 3.0
   73    75    54    85  -0.95700  1.0 1.0
   73    75    54    85  -0.18200 -1.0 2.0
   73    75    54    85   0.29450  1.0 3.0
   73    75    54    57   0.56750  1.0 1.0
   73    75    54    57  -0.07550 -1.0 2.0
   73    75    54    57   0.20000  1.0 3.0
   74    73    75    76   0.15000  1.0 3.0
   74    73    75    81   0.15000  1.0 3.0
   74    73    75    54   0.15000  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    80   0.15000  1.0 3.0
   75    73    77    78   0.15000  1.0 3.0
   75    73    77    79   0.15000  1.0 3.0
   75    73    77    80   0.15000  1.0 3.0
   75    81    83    84   7.00000 -1.0 2.0
   75    81   -83    85   7.00000 -1.0 2.0
   75    54    57    58   0.15000  1.0 3.0
   75    54    57    59   0.15000  1.0 3.0
   75    54    57    60   0.15000  1.0 3.0
   76    75    81    82   0.33100  1.0 3.0
   76    75    81    83   0.00000  1.0 1.0
   76    75    54    50   0.15000  1.0 3.0
   76    75    54    85  -0.11250  1.0 3.0
   76    75    54    57   0.15000  1.0 3.0
   81    75    54    50   0.34400  1.0 1.0
   81    75    54    50   0.09450 -1.0 2.0
   81    75    54    50   0.11100  1.0 3.0
   81    75   -54    85  -0.98800  1.0 1.0
   81    75   -54    85   0.48800 -1.0 2.0
   81    75   -54    85   0.76800  1.0 3.0
   81    75    54    57   0.34400  1.0 1.0
   81    75    54    57   0.09450 -1.0 2.0
   81    75    54    57   0.11100  1.0 3.0
   81    83    85    86   1.00000 -1.0 2.0
   81    83   -85    54  -0.33500  1.0 1.0
   81    83   -85    54   1.06600 -1.0 2.0
   81    83   -85    54  -0.14000  1.0 3.0
   82    81    83    84   7.00000 -1.0 2.0
   82    81    83    85   7.00000 -1.0 2.0
   83    85    54    50   0.65300  1.0 1.0
   83    85    54    50  -0.03850 -1.0 2.0
   83    85    54    50   0.33900  1.0 3.0
   83    85   -54    75   0.65300  1.0 1.0
   83    85   -54    75  -0.03850 -1.0 2.0
   83    85   -54    75   0.33900  1.0 3.0
   83    85    54    57   0.65300  1.0 1.0
   83    85    54    57  -0.03850 -1.0 2.0
   83    85    54    57   0.33900  1.0 3.0
   84    83    85    86   0.00000  1.0 1.0
   84    83    85    54   0.04550  1.0 1.0
   84    83    85    54   0.83000 -1.0 2.0
   84    83    85    54  -0.04000  1.0 3.0
   85    54    57    58  -0.11250  1.0 3.0
   85    54    57    59  -0.11250  1.0 3.0
   85    54    57    60  -0.11250  1.0 3.0
   86    85    54    50   0.30150 -1.0 2.0
   86    85    54    75   0.30150 -1.0 2.0
   86    85    54    57   0.30150 -1.0 2.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    55   0.56750  1.0 1.0
   54    50    52    55  -0.07550 -1.0 2.0
   54    50    52    55   0.20000  1.0 3.0
   54    50    52    68   0.56750  1.0 1.0
   54    50    52    68  -0.07550 -1.0 2.0
   54    50    52    68   0.20000  1.0 3.0
   54    75    81    82   0.00000  1.0 1.0
   54    75   -81    83   0.09850  1.0 1.0
   54    75   -81    83   0.15250 -1.0 2.0
   54    75   -81    83  -0.50650  1.0 3.0
   77    73    75    76   0.15000  1.0 3.0
   77    73    75    81   0.34400  1.0 1.0
   77    73    75    81   0.09450 -1.0 2.0
   77    73    75    81   0.11100  1.0 3.0
   77    73    75    54   0.56750  1.0 1.0
   77    73    75    54  -0.07550 -1.0 2.0
   77    73    75    54   0.20000  1.0 3.0
   63    55    61    62   0.30150 -1.0 2.0
   63    55    61    67   0.36750  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
   55    67    61    62  10.50000 -1.0 2.0
   75    82    81    83   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   83    54    85    86  10.50000 -1.0 2.0
END
