* LIGAND DATABASE FILE (OPLS2005)
*
001      89    94    163    267     479
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02125   103.74599   -37.54792
    3     1 S   H    _H1_     3     1.02106    70.45592    67.73236
    4     1 S   H    _H2_     4     1.02111    42.86709  -140.34876
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C25    36     1.84830    97.36657  -178.14797
   34    33 S   HC   _H3_    37     1.10073   104.74069   -38.26141
   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   _C23    38     1.53497   108.95879    79.94829
   39    38 S   HC   _H42    39     1.09779   111.00303   -36.86255
   40    33 S   CO   _C26    48     1.54796   111.19210  -156.56721
   41    38 S   CA   _C9_    40     1.50432   112.01983    85.72343
   42    40 S   CT   _C24    49     1.56206   115.33016   170.16187
   43    42 S   HC   _H43    50     1.09362   114.07257    94.08157
   44    38 S   OH   _O37    88     1.42587   109.91848  -154.39138
   45    44 S   HO   _H54    89     0.96985   106.45015    57.58450
   46    41 S   CA   _C4_    41     1.40393   119.68264  -168.76166
   47    46 S   HA   _H39    42     1.08844   119.21714    -0.74860
   48    42 S   CA   _C10    51     1.48449    99.30995  -146.30420
   49    42 S   OH   _O38    74     1.41785   113.21563   -33.59304
   50    49 S   HO   _H55    75     0.97209   106.95381  -168.15129
   51    46 S   CA   _C5_    43     1.40049   120.86120   178.95395
   52    48 S   CA   _C12    52     1.38355   109.12993    18.44614
   53    51 S   CA   _C8_    44     1.39534   119.48204    -0.19979
   54    52 S   CA   _C14    53     1.38124   122.18717   176.58442
   55    40 S   OS   _O30    73     1.47047   107.79417    52.79316
   56    53 S   CA   _C15    45     1.39917   120.13737     0.30261
   57    54 S   CA   _C7_    54     1.40095   117.70766     0.95634
   58    54 S   OH   _O35    71     1.35866   118.87193  -179.30733
   59    58 S   HO   _H52    72     0.97116   110.43033  -179.71061
   60    53 S   CO4  _C20    78     1.48199   120.35063  -179.74666
   61    60 S   O    _O28    79     1.22372   121.62971   179.94766
   62    41 S   CA   _C11    46     1.39799   121.33410    10.78089
   63    57 S   CA   _C6_    55     1.40714   120.43136    -0.59116
   64    56 S   OH   _O36    76     1.36567   121.78882   179.93744
   65    64 S   HO   _H53    77     0.96938   110.02267    -0.00000
   66    60 S   OS   _O33    80     1.36791   116.39037    -0.00000
   67    62 S   OS   _O29    47     1.36846   123.68749    -0.01978
   68    48 S   CA   _C13    56     1.38257   129.85734  -164.74412
   69    63 S   CO4  _C18    59     1.47512   120.27463  -179.75134
   70    69 S   O    _O26    60     1.22523   121.73934   179.97202
   71    66 S   CM   _C22    81     1.41300   122.44099    -0.04846
   72    68 S   OH   _O34    57     1.35922   118.67580     2.84758
   73    72 S   HO   _H51    58     0.97078   110.42994  -179.55150
   74    69 S   CM   _C17    61     1.47631   117.74726    -0.08847
   75    74 S   HC   _H41    62     1.08575   116.89344  -179.94065
   76    51 S   CM   _C16    82     1.45390   120.80826  -179.92338
   77    76 S   HC   _H40    83     1.08389   119.37817    -0.26688
   78    71 S   CT   _C27    84     1.49421   113.98143  -179.94065
   79    78 S   HC   _H45    85     1.08979   109.77981   -89.92611
   80    78 S   HC   _H46    86     1.08954   109.85051   149.88428
   81    78 S   HC   _H47    87     1.08970   109.80035    30.18603
   82    74 S   CM   _C21    63     1.33418   122.33335     0.05595
   83    57 S   CO4  _C19    64     1.47722   119.18830   179.57618
   84    83 S   O    _O27    65     1.22478   121.25414    -0.20936
   85    82 S   OS   _O39    66     1.38080   120.45141  -179.97202
   86    85 S   CT   _C28    67     1.40646   112.61510    90.01805
   87    86 S   HC   _H48    68     1.09232   109.52548  -179.96044
   88    86 S   HC   _H49    69     1.09271   109.53516    59.21249
   89    86 S   HC   _H50    70     1.09276   108.94517   -60.42453
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  13   6  14  11  12   7   3   1  10   4  13
   5   1  11  10  11  10   5   8  12   3   1   7   2   3  10   2
   1   7   1   6   7   3   6   1   1   6   3   5   1   3   2   1
   1   7   3   1   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    67    40    42    55    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    46    62    67    40    42    43    48    52    55    49    44    45  
   38    39    41    67    40    42    55    44  
   36    37  
   37  
    0  
   39    41    46    47    51    56    62    67    40    42    55    44    45  
   41    46    62    40    44    45  
   42    43    48    52    54    68    55    49    50    44    41    56    62    67  
   46    47    51    53    56    62    67    64    76    44    45  
   43    48    52    54    63    68    72    55    49    50    62    67  
   48    52    68    55    49    50    67  
   45    46    62  
    0  
   47    51    53    56    62    67    60    71    76    77  
   51    53    62    76  
   52    54    57    63    68    72    73    69    58    55    49    50    67  
   50    52    55    67    68  
    0  
   53    56    62    64    60    61    66    71    76    77    78  
   54    57    63    68    72    83    58    59    55    67  
   56    62    67    64    65    60    61    66    71    76    77  
   57    63    68    69    82    83    84    58    59    55  
   57    58    62    67    68  
   62    67    64    65    60    61    66    76  
   63    68    72    69    70    74    82    83    84    85    58    59  
   59    63    83  
    0  
   61    66    71    76    78    62    64  
   66    71  
   67    64    65  
   68    72    73    69    70    74    75    82    83    84  
   65    67  
    0  
   71    76    77    78    79    80    81  
    0  
   72    73    69    70    74    83  
   70    74    75    82    83    85    72  
   74    75    82  
   76    77    78    79    80    81  
   73  
    0  
   75    82    83    84    85    86  
   82    83    85  
   77    78    79    80    81  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89  
   84    85    86  
   85  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   250.000  1.527
   38    39   340.000  1.090
   38    41   317.000  1.510
   38    44   320.000  1.410
   41    46   469.000  1.400
   41    62   469.000  1.400
   46    47   367.000  1.080
   46    51   469.000  1.400
   51    53   469.000  1.400
   51    76   320.000  1.460
   53    56   469.000  1.400
   53    60   310.000  1.470
   56    62   469.000  1.400
   56    64   450.000  1.364
   62    67   450.000  1.364
   67    40   320.000  1.380
   40    42   250.000  1.527
   40    55   320.000  1.380
   42    43   340.000  1.090
   42    48   317.000  1.510
   42    49   320.000  1.410
   48    52   469.000  1.400
   48    68   469.000  1.400
   52    54   469.000  1.400
   52    55   450.000  1.364
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    63   469.000  1.400
   57    83   310.000  1.470
   63    68   469.000  1.400
   63    69   310.000  1.470
   68    72   450.000  1.364
   72    73   553.000  0.945
   69    70   570.000  1.229
   69    74   320.000  1.462
   74    75   340.000  1.080
   74    82   549.000  1.340
   82    83   320.000  1.462
   82    85   440.000  1.360
   83    84   570.000  1.229
   85    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   58    59   553.000  0.945
   49    50   553.000  0.945
   64    65   553.000  0.945
   60    61   570.000  1.229
   60    66   214.000  1.327
   66    71   440.000  1.360
   71    76   549.000  1.340
   71    78   317.000  1.510
   76    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   44    45   553.000  0.945
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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    70.00000  112.17500
   33    38    44    50.00000  109.50000
   33    40    67    90.00000  108.56700
   33    40    42    65.00000  112.71400
   33    40    55    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    41    46    70.00000  120.00000
   38    41    62    70.00000  120.00000
   38    44    45    55.00000  108.50000
   41    38    39    35.00000  109.50000
   41    46    47    35.00000  120.00000
   41    46    51    63.00000  120.00000
   41    62    56    63.00000  120.00000
   41    62    67    70.00000  120.00000
   46    51    53    63.00000  120.00000
   46    51    76    60.00000  120.93500
   51    46    47    35.00000  120.00000
   51    53    56    63.00000  120.00000
   51    53    60    60.00000  119.52600
   51    76    71    60.00000  123.20500
   51    76    77    40.00000  117.26300
   53    56    62    63.00000  120.00000
   53    56    64    70.00000  120.00000
   53    60    61    75.00000  123.78400
   53    60    66    81.00000  111.40000
   56    62    67    70.00000  120.00000
   56    64    65    35.00000  113.00000
   62    41    46    63.00000  120.00000
   62    67    40   100.00000  112.36700
   67    40    42    90.00000  108.56700
   67    40    55    92.60000  111.55000
   40    33    34    45.00000  108.72000
   40    33    38    75.00000  109.43000
   40    42    43    45.00000  108.72000
   40    42    48    70.00000  112.17500
   40    42    49    90.00000  111.58700
   40    55    52   100.00000  112.36700
   42    48    52    70.00000  120.00000
   42    48    68    70.00000  120.00000
   42    49    50    55.00000  108.50000
   48    42    43    35.00000  109.50000
   48    52    54    63.00000  120.00000
   48    52    55    70.00000  120.00000
   48    68    63    63.00000  120.00000
   48    68    72    70.00000  120.00000
   52    54    57    63.00000  120.00000
   52    54    58    70.00000  120.00000
   54    57    63    63.00000  120.00000
   54    57    83    60.00000  119.52600
   54    58    59    35.00000  113.00000
   57    63    68    63.00000  120.00000
   57    63    69    60.00000  119.52600
   57    83    82    65.00000  117.02400
   57    83    84    75.00000  123.78400
   63    68    72    70.00000  120.00000
   63    69    70    75.00000  123.78400
   63    69    74    65.00000  117.02400
   68    48    52    63.00000  120.00000
   68    72    73    35.00000  113.00000
   69    63    68    60.00000  119.52600
   69    74    75    40.00000  117.72500
   69    74    82    65.00000  118.96000
   74    69    70    80.00000  123.72100
   74    82    83    65.00000  118.96000
   74    82    85    80.00000  120.01400
   82    74    75    35.00000  120.00000
   82    83    84    80.00000  123.72100
   82    85    86    90.00000  111.18400
   83    57    63    60.00000  119.52600
   85    82    83    85.00000  116.28000
   85    86    87    35.00000  109.50000
   85    86    88    35.00000  109.50000
   85    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   58    54    57    70.00000  120.00000
   55    40    42    90.00000  108.56700
   55    52    54    70.00000  120.00000
   49    42    43    35.00000  109.50000
   49    42    48    90.00000  112.51600
   64    56    62    70.00000  120.00000
   60    53    56    60.00000  119.52600
   60    66    71    90.00000  114.22900
   66    60    61    83.00000  123.40000
   66    71    76    80.00000  120.01400
   66    71    78    85.00000  112.85300
   71    76    77    35.00000  120.00000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    35.00000  109.50000
   76    51    53    60.00000  120.93500
   78    71    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    41    90.00000  112.51600
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    67   0.56750  1.0 1.0
   29    33    40    67  -0.07550 -1.0 2.0
   29    33    40    67   0.20000  1.0 3.0
   29    33    40    42   0.44750  1.0 1.0
   29    33    40    42  -0.17800 -1.0 2.0
   29    33    40    42   0.20200  1.0 3.0
   29    33    40    55   0.56750  1.0 1.0
   29    33    40    55  -0.07550 -1.0 2.0
   29    33    40    55   0.20000  1.0 3.0
   33    38    41    46   0.04150 -1.0 2.0
   33    38    41    62   0.04150 -1.0 2.0
   33    38    44    45  -0.11600  1.0 1.0
   33    38    44    45  -0.09450 -1.0 2.0
   33    38    44    45   0.21250  1.0 3.0
   33    40    42    43   0.15000  1.0 3.0
   33    40    42    48  -0.03700  1.0 1.0
   33    40    42    48   0.37200 -1.0 2.0
   33    40    42    48  -0.47300  1.0 3.0
   33    40    42    49   0.86500  1.0 1.0
   33    40    42    49  -0.17500 -1.0 2.0
   33    40    42    49   0.20800  1.0 3.0
   33    40    55    52  -0.32850  1.0 1.0
   33    40    55    52  -0.35800 -1.0 2.0
   33    40    55    52   0.33950  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.43200  1.0 3.0
   34    33    38    44   0.23400  1.0 3.0
   34    33    40    67   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    55   0.23400  1.0 3.0
   38    33    40    67   0.62750  1.0 1.0
   38    33    40    67  -0.30950 -1.0 2.0
   38    33    40    67   0.27300  1.0 3.0
   38    33    40    42   0.56750  1.0 1.0
   38    33    40    42  -0.07550 -1.0 2.0
   38    33    40    42   0.20000  1.0 3.0
   38    33    40    55   0.62750  1.0 1.0
   38    33    40    55  -0.30950 -1.0 2.0
   38    33    40    55   0.27300  1.0 3.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    51   3.62500 -1.0 2.0
   38    41    62    56   3.62500 -1.0 2.0
   38    41   -62    67   3.62500 -1.0 2.0
   39    38    41    46   0.00000  1.0 1.0
   39    38    41    62   0.00000  1.0 1.0
   39    38    44    45   0.19450  1.0 3.0
   41    38    44    45   0.31900  1.0 1.0
   41    38    44    45  -0.11800 -1.0 2.0
   41    38    44    45   0.38750  1.0 3.0
   41    46    51    53   3.62500 -1.0 2.0
   41    46    51    76   3.62500 -1.0 2.0
   41    62    67    40   1.63200 -1.0 2.0
   46    41    62    56   3.62500 -1.0 2.0
   46    41    62    67   3.62500 -1.0 2.0
   46    51   -53    56   3.62500 -1.0 2.0
   46    51    53    60   3.62500 -1.0 2.0
   46    51    76    71   0.15800  1.0 1.0
   46    51    76    71   1.85350 -1.0 2.0
   46    51    76    71  -0.48700  1.0 3.0
   46    51    76    77   0.56550  1.0 3.0
   47    46    51    53   3.62500 -1.0 2.0
   47    46    51    76   3.62500 -1.0 2.0
   51    53    56    62   3.62500 -1.0 2.0
   51    53    56    64   3.62500 -1.0 2.0
   51    53    60    61   1.05000 -1.0 2.0
   51    53    60    66   0.98750 -1.0 2.0
   53    51    76    71   0.15800  1.0 1.0
   53    51    76    71   1.85350 -1.0 2.0
   53    51    76    71  -0.48700  1.0 3.0
   53    51    76    77   0.56550  1.0 3.0
   53    56   -62    41   3.62500 -1.0 2.0
   53    56    62    67   3.62500 -1.0 2.0
   53    56    64    65   0.84100 -1.0 2.0
   53    60   -66    71   2.00000 -1.0 2.0
   56    53    60    61   1.05000 -1.0 2.0
   56    53    60    66   0.98750 -1.0 2.0
   56    62    67    40   1.63200 -1.0 2.0
   62    41    46    47   3.62500 -1.0 2.0
   62    41   -46    51   3.62500 -1.0 2.0
   62    56    64    65   0.84100 -1.0 2.0
   62    67   -40    33  -0.32850  1.0 1.0
   62    67   -40    33  -0.35800 -1.0 2.0
   62    67   -40    33   0.33950  1.0 3.0
   62    67    40    42  -0.32850  1.0 1.0
   62    67    40    42  -0.35800 -1.0 2.0
   62    67    40    42   0.33950  1.0 3.0
   62    67    40    55  -0.25600  1.0 1.0
   62    67    40    55  -0.40050 -1.0 2.0
   62    67    40    55   0.34700  1.0 3.0
   67    40    42    43   0.23400  1.0 3.0
   67    40    42    48  -0.64350  1.0 1.0
   67    40    42    48  -0.04200 -1.0 2.0
   67    40    42    48   0.19800  1.0 3.0
   67    40    42    49   3.69350  1.0 1.0
   67    40    42    49  -1.82950 -1.0 2.0
   67    40    55    52  -0.25600  1.0 1.0
   67    40    55    52  -0.40050 -1.0 2.0
   67    40    55    52   0.34700  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41  -0.03700  1.0 1.0
   40    33   -38    41   0.37200 -1.0 2.0
   40    33   -38    41  -0.47300  1.0 3.0
   40    33    38    44   0.86500  1.0 1.0
   40    33    38    44  -0.17500 -1.0 2.0
   40    33    38    44   0.20800  1.0 3.0
   40    42   -48    52   0.04150 -1.0 2.0
   40    42    48    68   0.04150 -1.0 2.0
   40    42    49    50  -0.11600  1.0 1.0
   40    42    49    50  -0.09450 -1.0 2.0
   40    42    49    50   0.21250  1.0 3.0
   42    40   -55    52  -0.32850  1.0 1.0
   42    40   -55    52  -0.35800 -1.0 2.0
   42    40   -55    52   0.33950  1.0 3.0
   42    48    52    54   3.62500 -1.0 2.0
   42    48   -52    55   3.62500 -1.0 2.0
   42    48    68    63   3.62500 -1.0 2.0
   42    48    68    72   3.62500 -1.0 2.0
   43    42    48    52   0.00000  1.0 1.0
   43    42    48    68   0.00000  1.0 1.0
   43    42    49    50   0.19450  1.0 3.0
   48    42    49    50   0.31900  1.0 1.0
   48    42    49    50  -0.11800 -1.0 2.0
   48    42    49    50   0.38750  1.0 3.0
   48    52    54    57   3.62500 -1.0 2.0
   48    52    54    58   3.62500 -1.0 2.0
   48    52   -55    40   1.63200 -1.0 2.0
   48    68    72    73   0.84100 -1.0 2.0
   52    48    68    63   3.62500 -1.0 2.0
   52    48    68    72   3.62500 -1.0 2.0
   52    54   -57    63   3.62500 -1.0 2.0
   52    54    57    83   3.62500 -1.0 2.0
   52    54    58    59   0.84100 -1.0 2.0
   54    52    55    40   1.63200 -1.0 2.0
   54    57    63    68   3.62500 -1.0 2.0
   54    57    63    69   3.62500 -1.0 2.0
   54    57    83    82  -0.11500  1.0 1.0
   54    57    83    82   1.10450 -1.0 2.0
   54    57    83    82  -0.48050  1.0 3.0
   54    57    83    84   1.05000 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    63   -68    48   3.62500 -1.0 2.0
   57    63    68    72   3.62500 -1.0 2.0
   57    63    69    70   1.05000 -1.0 2.0
   57    63    69    74  -0.11500  1.0 1.0
   57    63    69    74   1.10450 -1.0 2.0
   57    63    69    74  -0.48050  1.0 3.0
   63    57    83    82  -0.11500  1.0 1.0
   63    57    83    82   1.10450 -1.0 2.0
   63    57    83    82  -0.48050  1.0 3.0
   63    57    83    84   1.05000 -1.0 2.0
   63    68    72    73   0.84100 -1.0 2.0
   63    69    74    75   1.64500 -1.0 2.0
   63    69   -74    82  -1.65800  1.0 1.0
   63    69   -74    82   0.77650 -1.0 2.0
   68    48   -52    54   3.62500 -1.0 2.0
   68    48    52    55   3.62500 -1.0 2.0
   68    63    69    70   1.05000 -1.0 2.0
   68    63    69    74  -0.11500  1.0 1.0
   68    63    69    74   1.10450 -1.0 2.0
   68    63    69    74  -0.48050  1.0 3.0
   69    63    68    48   3.62500 -1.0 2.0
   69    63    68    72   3.62500 -1.0 2.0
   69    74    82    83   7.00000 -1.0 2.0
   69    74    82    85   7.00000 -1.0 2.0
   70    69    74    75   0.00000  1.0 1.0
   70    69    74    82   1.00000 -1.0 2.0
   74    82   -83    57  -1.65800  1.0 1.0
   74    82   -83    57   0.77650 -1.0 2.0
   74    82    83    84   1.00000 -1.0 2.0
   74    82    85    86  -2.26850  1.0 1.0
   74    82    85    86   3.39050 -1.0 2.0
   75    74    82    83   7.00000 -1.0 2.0
   75    74    82    85   7.00000 -1.0 2.0
   82    85    86    87   0.08050  1.0 3.0
   82    85    86    88   0.08050  1.0 3.0
   82    85    86    89   0.08050  1.0 3.0
   83    57    63    68   3.62500 -1.0 2.0
   83    57   -63    69   3.62500 -1.0 2.0
   83    82    85    86   0.15100 -1.0 2.0
   85    82    83    57   1.50000 -1.0 2.0
   85    82    83    84  -0.11900  1.0 1.0
   85    82    83    84   0.76850 -1.0 2.0
   85    82    83    84   0.14100  1.0 3.0
   58    54    57    63   3.62500 -1.0 2.0
   58    54    57    83   3.62500 -1.0 2.0
   55    40    42    43   0.23400  1.0 3.0
   55    40   -42    48  -0.64350  1.0 1.0
   55    40   -42    48  -0.04200 -1.0 2.0
   55    40   -42    48   0.19800  1.0 3.0
   55    40    42    49   3.69350  1.0 1.0
   55    40    42    49  -1.82950 -1.0 2.0
   55    52    54    57   3.62500 -1.0 2.0
   55    52    54    58   3.62500 -1.0 2.0
   49    42    48    52   0.14300 -1.0 2.0
   49    42    48    52   0.00300  1.0 3.0
   49    42    48    68   0.14300 -1.0 2.0
   49    42    48    68   0.00300  1.0 3.0
   64    56    62    41   3.62500 -1.0 2.0
   64    56    62    67   3.62500 -1.0 2.0
   60    53    56    62   3.62500 -1.0 2.0
   60    53    56    64   3.62500 -1.0 2.0
   60    66    71    76  -1.93650  1.0 1.0
   60    66    71    76   2.17750 -1.0 2.0
   60    66    71    76  -0.40250  1.0 3.0
   60    66    71    78   2.00000 -1.0 2.0
   61    60    66    71   3.00000 -1.0 2.0
   66    71   -76    51   7.00000 -1.0 2.0
   66    71    76    77   7.00000 -1.0 2.0
   66    71    78    79   0.00000  1.0 1.0
   66    71    78    80   0.00000  1.0 1.0
   66    71    78    81   0.00000  1.0 1.0
   76    51    53    56   3.62500 -1.0 2.0
   76    51   -53    60   3.62500 -1.0 2.0
   76    71    78    79   0.00000  1.0 1.0
   76    71    78    80   0.00000  1.0 1.0
   76    71    78    81   0.00000  1.0 1.0
   78    71    76    51   7.00000 -1.0 2.0
   78    71    76    77   7.00000 -1.0 2.0
   44    38    41    46   0.14300 -1.0 2.0
   44    38    41    46   0.00300  1.0 3.0
   44    38    41    62   0.14300 -1.0 2.0
   44    38    41    62   0.00300  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
   46    62    41    38   4.00000 -1.0 2.0
   51    47    46    41   1.10000 -1.0 2.0
   53    76    51    46   4.00000 -1.0 2.0
   56    60    53    51   4.00000 -1.0 2.0
   62    64    56    53   4.00000 -1.0 2.0
   56    67    62    41   4.00000 -1.0 2.0
   52    68    48    42   4.00000 -1.0 2.0
   54    55    52    48   4.00000 -1.0 2.0
   57    58    54    52   4.00000 -1.0 2.0
   63    83    57    54   4.00000 -1.0 2.0
   68    69    63    57   4.00000 -1.0 2.0
   63    72    68    48   4.00000 -1.0 2.0
   63    74    69    70  10.50000 -1.0 2.0
   69    75    74    82   1.10000 -1.0 2.0
   83    85    82    74   1.10000 -1.0 2.0
   57    82    83    84  10.50000 -1.0 2.0
   53    66    60    61  10.50000 -1.0 2.0
   66    78    71    76   1.10000 -1.0 2.0
   51    77    76    71   1.10000 -1.0 2.0
END
