* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    151    246     451
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02064    79.41194    55.86807
    3     1 S   H    _H1_     3     1.02084    36.41603  -160.90818
    4     1 S   H    _H2_     4     1.02100    99.04354   -51.60123
    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     1.08610   110.54789    58.81774
   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   _C22    36     1.83561    97.68411  -178.12351
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C15    37     1.51341   114.21407   160.02601
   38    33 S   CT   _C20    67     1.55610   107.80416   -76.53562
   39    38 S   HC   _H38    68     1.11901   109.32341   -31.44346
   40    33 S   OH   _O29    82     1.43305   108.16619    41.32412
   41    40 S   HO   _H49    83     0.96809   106.11966    63.24412
   42    37 S   CO4  _C16    38     1.50504   114.66819   177.94443
   43    42 S   O    _O24    39     1.22991   121.54003   150.57535
   44    38 S   OS   _O30    69     1.43214   109.61157    83.97986
   45    37 S   CMA  _C17    76     1.34185   129.67069    -1.18960
   46    45 S   OM   _O22    77     1.26407   130.67196    -0.88071
   47    42 S   CT   _C21    40     1.52695   116.60256   -27.85136
   48    44 S   CT   _C24    70     1.41745   111.20629  -153.62518
   49    48 S   HC   _H42    71     1.09287   109.55521  -180.00000
   50    48 S   HC   _H43    72     1.09349   109.55010    59.17148
   51    48 S   HC   _H44    73     1.09267   108.98500   -60.38916
   52    45 S   CT   _C23    78     1.51773   117.82001   179.09043
   53    52 S   HC   _H39    79     1.09640   112.03740    90.01389
   54    52 S   HC   _H40    80     1.09779   111.31336   -29.39544
   55    52 S   HC   _H41    81     1.09739   111.33274  -150.56038
   56    47 S   CO4  _C14    41     1.52521   112.97514  -152.90832
   57    56 S   O    _O23    42     1.22961   122.02249   -87.86886
   58    47 S   OH   _O28    74     1.42384   106.39909    91.67117
   59    58 S   HO   _H48    75     0.96975   106.54007    60.26612
   60    56 S   CA   _C9_    43     1.48259   118.18821    90.13874
   61    60 S   CA   _C10    44     1.39709   120.27728     8.24098
   62    60 S   CA   _C13    55     1.40173   119.34336  -171.95748
   63    61 S   CA   _C4_    45     1.40363   118.88619  -178.88724
   64    63 S   HA   _H32    46     1.08983   119.05128   178.71002
   65    62 S   OH   _O27    56     1.36811   119.56885    -0.70443
   66    65 S   HO   _H47    57     0.96820   109.92099     0.17914
   67    61 S   CT   _C18    62     1.50448   122.14473    -0.89504
   68    67 S   HC   _H35    63     1.09833   107.72248   143.35954
   69    67 S   HC   _H36    64     1.09710   110.08655  -101.03916
   70    63 S   CA   _C7_    47     1.40449   121.46157    -1.16802
   71    47 S   CT   _C19    65     1.53611   111.76920   -26.95604
   72    71 S   HC   _H37    66     1.09320   110.21930   173.77723
   73    70 S   CA   _C5_    48     1.40450   121.50313  -179.59074
   74    73 S   HA   _H33    49     1.08924   120.15712    -0.16669
   75    73 S   CA   _C11    50     1.39516   120.74076   179.97202
   76    75 S   CA   _C6_    51     1.39080   119.97438    -0.04846
   77    76 S   HA   _H34    52     1.08786   119.85792  -179.91607
   78    75 S   OH   _O25    60     1.36058   119.95068   179.89347
   79    78 S   HO   _H45    61     0.97080   110.33273    -0.04846
   80    76 S   CA   _C12    53     1.39533   120.03982     0.08156
   81    70 S   CA   _C8_    54     1.41261   119.19927     0.38816
   82    80 S   OH   _O26    58     1.36572   116.16239   179.89165
   83    82 S   HO   _H46    59     0.96855   109.99742    -0.00000
  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   2   1   1  17  19   7   5   1  13   5   8   6   4  12   4
   2   1   1   3   2   1   1  12   5   5   1  13  12  10  11   4
   4   1   5   3   2   8   1   1   8   4   7   7   4   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    71    38    39    44    45    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    67    71    72    38    39    44    48    45    46    52    40    41  
   35    36  
   36  
    0  
   42    43    47    56    71    38    39    44    58    45    46    52    53    54    55    40    41  
   39    44    48    49    50    51    58    45    40    41    42    47    56    61    67    68    69    71    72  
   44    48    40    47    67    71    72  
   41    42    44    45    71  
    0  
   43    47    56    57    60    67    71    72    58    59    45    46    52  
   47    56    71    58    45  
   48    49    50    51    47    67    71    72  
   46    52    53    54    55    47  
   52    53    54    55  
   56    57    60    61    62    67    68    69    71    72    58    59  
   49    50    51    71  
   50    51  
   51  
    0  
   53    54    55  
   54    55  
   55  
    0  
   57    60    61    63    81    62    65    67    71    72    58    59  
   60    61    62    71    58  
   59    60    67    71    72  
   71  
   61    63    64    70    80    81    62    65    66    67    68    69    71  
   63    64    70    73    81    62    65    67    68    69    71    72  
   65    66    82    67    63    70    73    76    80    81  
   64    70    73    74    75    80    81    67    68    69    71  
   70    73    81    67  
   66    70    80    81  
   81  
   68    69    71    72    70  
   69    71    72  
   71    72  
   73    74    75    76    80    81    82    78  
   72  
    0  
   74    75    76    77    80    81    78    79  
   75    76    81    78  
   76    77    80    81    82    78    79  
   77    80    81    82    83    78    79  
   80    81    82    78  
   79    80  
    0  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   268.000  1.529
   33    40   320.000  1.410
   37    42   320.000  1.462
   37    45   465.000  1.376
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    56   317.000  1.522
   47    71   268.000  1.529
   47    58   320.000  1.410
   56    57   570.000  1.229
   56    60   310.000  1.470
   60    61   469.000  1.400
   60    62   469.000  1.400
   61    63   469.000  1.400
   61    67   317.000  1.510
   63    64   367.000  1.080
   63    70   469.000  1.400
   70    73   469.000  1.400
   70    81   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   469.000  1.400
   80    82   450.000  1.364
   81    62   469.000  1.400
   62    65   450.000  1.364
   65    66   553.000  0.945
   82    83   553.000  0.945
   78    79   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    38   268.000  1.529
   38    39   340.000  1.090
   38    44   320.000  1.410
   44    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   58    59   553.000  0.945
   45    46   745.000  1.250
   45    52   270.000  1.512
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   40    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    65.00000  116.34900
   33    37    45    70.00000  124.00000
   33    38    71    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    44    50.00000  109.50000
   33    40    41    55.00000  108.50000
   37    42    43    80.00000  123.72100
   37    42    47    65.00000  118.62400
   37    45    46    65.00000  137.10300
   37    45    52    65.00000  122.18000
   42    47    56    75.00000  107.99600
   42    47    71    63.00000  111.10000
   42    47    58    90.00000  109.61100
   47    42    43    80.00000  120.40000
   47    56    57    80.00000  120.40000
   47    56    60    65.00000  115.47100
   47    71    67    58.35000  112.70000
   47    71    72    37.50000  110.70000
   47    71    38    58.35000  112.70000
   47    58    59    55.00000  108.50000
   56    60    61    60.00000  119.52600
   56    60    62    60.00000  119.52600
   60    56    57    75.00000  123.78400
   60    61    63    63.00000  120.00000
   60    61    67    70.00000  120.00000
   60    62    81    63.00000  120.00000
   60    62    65    70.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    70    63.00000  120.00000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    71    70.00000  112.17500
   63    70    73    63.00000  120.00000
   63    70    81    63.00000  120.00000
   70    63    64    35.00000  120.00000
   70    73    74    35.00000  120.00000
   70    73    75    63.00000  120.00000
   70    81    80    63.00000  120.00000
   70    81    62    63.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    78    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    80    63.00000  120.00000
   75    78    79    35.00000  113.00000
   76    80    81    63.00000  120.00000
   76    80    82    70.00000  120.00000
   80    76    77    35.00000  120.00000
   80    81    62    63.00000  120.00000
   80    82    83    35.00000  113.00000
   81    70    73    63.00000  120.00000
   81    62    65    70.00000  120.00000
   62    60    61    63.00000  120.00000
   62    65    66    35.00000  113.00000
   82    80    81    70.00000  120.00000
   78    75    76    70.00000  120.00000
   67    61    63    70.00000  120.00000
   67    71    72    37.50000  110.70000
   67    71    38    58.35000  112.70000
   69    67    68    33.00000  107.80000
   71    47    56    63.00000  111.10000
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   71    38    39    37.50000  110.70000
   71    38    44    50.00000  109.50000
   38    33    37    70.00000  112.02700
   38    71    72    37.50000  110.70000
   38    44    48    60.00000  109.50000
   44    38    39    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   58    47    56    90.00000  109.61100
   58    47    71    50.00000  109.50000
   45    37    42    60.00000  125.92000
   45    52    53    45.00000  110.52000
   45    52    54    45.00000  110.52000
   45    52    55    45.00000  110.52000
   52    45    46    85.00000  112.85300
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   40    33    37    90.00000  110.39200
   40    33    38    50.00000  109.50000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    38    71   0.44750  1.0 1.0
   29    33    38    71  -0.17800 -1.0 2.0
   29    33    38    71   0.20200  1.0 3.0
   29    33    38    39   0.15000  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    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    47   0.25700  1.0 1.0
   33    37    42    47   0.66200 -1.0 2.0
   33    37    42    47   0.04450  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    52   7.00000 -1.0 2.0
   33    38    44    48   0.06250  1.0 1.0
   33    38    44    48  -0.01100 -1.0 2.0
   33    38    44    48   0.28050  1.0 3.0
   37    33    38    71   0.34400  1.0 1.0
   37    33    38    71   0.09450 -1.0 2.0
   37    33    38    71   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    44   0.61850  1.0 1.0
   37    33    38    44  -0.22750 -1.0 2.0
   37    33    38    44   0.15300  1.0 3.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    47    56   0.65300  1.0 1.0
   37    42    47    56  -0.03850 -1.0 2.0
   37    42    47    56   0.33900  1.0 3.0
   37    42   -47    71   0.65300  1.0 1.0
   37    42   -47    71  -0.03850 -1.0 2.0
   37    42   -47    71   0.33900  1.0 3.0
   37    42    47    58   0.65300  1.0 1.0
   37    42    47    58  -0.03850 -1.0 2.0
   37    42    47    58   0.33900  1.0 3.0
   37    45    52    53   0.00000  1.0 1.0
   37    45    52    54   0.00000  1.0 1.0
   37    45    52    55   0.00000  1.0 1.0
   42    37    45    46   7.00000 -1.0 2.0
   42    37    45    52   7.00000 -1.0 2.0
   42    47    56    57   0.30150 -1.0 2.0
   42    47    56    60   0.65300  1.0 1.0
   42    47    56    60  -0.03850 -1.0 2.0
   42    47    56    60   0.33900  1.0 3.0
   42    47    71    67  -0.95700  1.0 1.0
   42    47    71    67  -0.18200 -1.0 2.0
   42    47    71    67   0.29450  1.0 3.0
   42    47    71    72  -0.11250  1.0 3.0
   42    47    71    38  -0.95700  1.0 1.0
   42    47    71    38  -0.18200 -1.0 2.0
   42    47    71    38   0.29450  1.0 3.0
   42    47    58    59   0.91850  1.0 1.0
   42    47    58    59   0.57950  1.0 3.0
   43    42    47    56   0.30150 -1.0 2.0
   43    42    47    71   0.30150 -1.0 2.0
   43    42    47    58   0.30150 -1.0 2.0
   47    56    60    61   2.26350  1.0 1.0
   47    56    60    61   0.76750 -1.0 2.0
   47    56    60    61   0.22500  1.0 3.0
   47    56    60    62   2.26350  1.0 1.0
   47    56    60    62   0.76750 -1.0 2.0
   47    56    60    62   0.22500  1.0 3.0
   47    71   -38    33   0.56750  1.0 1.0
   47    71   -38    33  -0.07550 -1.0 2.0
   47    71   -38    33   0.20000  1.0 3.0
   47    71    38    39   0.15000  1.0 3.0
   47    71    38    44   0.62750  1.0 1.0
   47    71    38    44  -0.30950 -1.0 2.0
   47    71    38    44   0.27300  1.0 3.0
   56    47    71    67  -0.95700  1.0 1.0
   56    47    71    67  -0.18200 -1.0 2.0
   56    47    71    67   0.29450  1.0 3.0
   56    47    71    72  -0.11250  1.0 3.0
   56    47    71    38  -0.95700  1.0 1.0
   56    47    71    38  -0.18200 -1.0 2.0
   56    47    71    38   0.29450  1.0 3.0
   56    47    58    59   0.91850  1.0 1.0
   56    47    58    59   0.57950  1.0 3.0
   56    60    61    63   3.62500 -1.0 2.0
   56    60   -61    67   3.62500 -1.0 2.0
   56    60    62    81   3.62500 -1.0 2.0
   56    60    62    65   3.62500 -1.0 2.0
   57    56    60    61   1.05000 -1.0 2.0
   57    56    60    62   1.05000 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    70   3.62500 -1.0 2.0
   60    61    67    68   0.00000  1.0 1.0
   60    61    67    69   0.00000  1.0 1.0
   60    61    67    71   0.04150 -1.0 2.0
   60    62    65    66   0.84100 -1.0 2.0
   61    60    62    81   3.62500 -1.0 2.0
   61    60    62    65   3.62500 -1.0 2.0
   61    63    70    73   3.62500 -1.0 2.0
   61    63   -70    81   3.62500 -1.0 2.0
   61    67   -71    47  -0.03700  1.0 1.0
   61    67   -71    47   0.37200 -1.0 2.0
   61    67   -71    47  -0.47300  1.0 3.0
   61    67    71    72   0.43200  1.0 3.0
   61    67    71    38  -0.03700  1.0 1.0
   61    67    71    38   0.37200 -1.0 2.0
   61    67    71    38  -0.47300  1.0 3.0
   63    61    67    68   0.00000  1.0 1.0
   63    61    67    69   0.00000  1.0 1.0
   63    61    67    71   0.04150 -1.0 2.0
   63    70    73    74   3.62500 -1.0 2.0
   63    70    73    75   3.62500 -1.0 2.0
   63    70    81    80   3.62500 -1.0 2.0
   63    70    81    62   3.62500 -1.0 2.0
   64    63    70    73   3.62500 -1.0 2.0
   64    63    70    81   3.62500 -1.0 2.0
   70    73    75    76   3.62500 -1.0 2.0
   70    73    75    78   3.62500 -1.0 2.0
   70    81   -62    60   3.62500 -1.0 2.0
   70    81    62    65   3.62500 -1.0 2.0
   73    70    81    80   3.62500 -1.0 2.0
   73    70    81    62   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75   -76    80   3.62500 -1.0 2.0
   73    75    78    79   0.84100 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    78   3.62500 -1.0 2.0
   75    76    80    81   3.62500 -1.0 2.0
   75    76    80    82   3.62500 -1.0 2.0
   76    75    78    79   0.84100 -1.0 2.0
   76    80   -81    70   3.62500 -1.0 2.0
   76    80    81    62   3.62500 -1.0 2.0
   76    80    82    83   0.84100 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   77    76    80    82   3.62500 -1.0 2.0
   80    81    62    60   3.62500 -1.0 2.0
   80    81    62    65   3.62500 -1.0 2.0
   81    70    73    74   3.62500 -1.0 2.0
   81    70   -73    75   3.62500 -1.0 2.0
   81    80    82    83   0.84100 -1.0 2.0
   81    62    65    66   0.84100 -1.0 2.0
   62    60   -61    63   3.62500 -1.0 2.0
   62    60    61    67   3.62500 -1.0 2.0
   82    80    81    70   3.62500 -1.0 2.0
   82    80    81    62   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    80   3.62500 -1.0 2.0
   67    61    63    64   3.62500 -1.0 2.0
   67    61    63    70   3.62500 -1.0 2.0
   67    71    38    33   0.56750  1.0 1.0
   67    71    38    33  -0.07550 -1.0 2.0
   67    71    38    33   0.20000  1.0 3.0
   67    71    38    39   0.15000  1.0 3.0
   67    71    38    44   0.62750  1.0 1.0
   67    71    38    44  -0.30950 -1.0 2.0
   67    71    38    44   0.27300  1.0 3.0
   68    67    71    47   0.15000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    38   0.15000  1.0 3.0
   69    67    71    47   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    38   0.15000  1.0 3.0
   71    47    56    57   0.30150 -1.0 2.0
   71    47   -56    60   0.05850 -1.0 2.0
   71    47   -56    60   0.17250  1.0 3.0
   71    47    58    59  -0.11600  1.0 1.0
   71    47    58    59  -0.09450 -1.0 2.0
   71    47    58    59   0.21250  1.0 3.0
   71    38    44    48   0.06250  1.0 1.0
   71    38    44    48  -0.01100 -1.0 2.0
   71    38    44    48   0.28050  1.0 3.0
   72    71    38    33   0.15000  1.0 3.0
   72    71    38    39   0.15000  1.0 3.0
   72    71    38    44   0.23400  1.0 3.0
   38    33   -37    42   0.09700  1.0 1.0
   38    33   -37    42   0.15600 -1.0 2.0
   38    33   -37    42  -0.50800  1.0 3.0
   38    33    37    45   0.09850  1.0 1.0
   38    33    37    45   0.15250 -1.0 2.0
   38    33    37    45  -0.50650  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   38    44    48    49   0.37050  1.0 3.0
   38    44    48    50   0.37050  1.0 3.0
   38    44    48    51   0.37050  1.0 3.0
   39    38    44    48   0.37050  1.0 3.0
   58    47    56    57   0.30150 -1.0 2.0
   58    47    56    60   0.65300  1.0 1.0
   58    47    56    60  -0.03850 -1.0 2.0
   58    47    56    60   0.33900  1.0 3.0
   58    47    71    67   0.86500  1.0 1.0
   58    47    71    67  -0.17500 -1.0 2.0
   58    47    71    67   0.20800  1.0 3.0
   58    47    71    72   0.23400  1.0 3.0
   58    47    71    38   0.86500  1.0 1.0
   58    47    71    38  -0.17500 -1.0 2.0
   58    47    71    38   0.20800  1.0 3.0
   45    37    42    43   1.00000 -1.0 2.0
   45    37    42    47  -0.33500  1.0 1.0
   45    37    42    47   1.06600 -1.0 2.0
   45    37    42    47  -0.14000  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    55   0.00000  1.0 1.0
   40    33    37    42   0.09700  1.0 1.0
   40    33    37    42   0.15600 -1.0 2.0
   40    33    37    42  -0.50800  1.0 3.0
   40    33    37    45   0.67800  1.0 1.0
   40    33    37    45   0.47050 -1.0 2.0
   40    33    37    45  -0.62500  1.0 3.0
   40    33    38    71   0.86500  1.0 1.0
   40    33    38    71  -0.17500 -1.0 2.0
   40    33    38    71   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    44   3.69350  1.0 1.0
   40    33    38    44  -1.82950 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    45   1.10000 -1.0 2.0
   37    47    42    43  10.50000 -1.0 2.0
   47    60    56    57  10.50000 -1.0 2.0
   61    62    60    56   4.00000 -1.0 2.0
   63    67    61    60   4.00000 -1.0 2.0
   70    64    63    61   1.10000 -1.0 2.0
   73    81    70    63   4.00000 -1.0 2.0
   75    74    73    70   1.10000 -1.0 2.0
   76    78    75    73   4.00000 -1.0 2.0
   80    77    76    75   1.10000 -1.0 2.0
   81    82    80    76   4.00000 -1.0 2.0
   80    62    81    70   4.00000 -1.0 2.0
   81    65    62    60   4.00000 -1.0 2.0
   52    46    45    37   1.10000 -1.0 2.0
END
