* LIGAND DATABASE FILE (OPLS2005)
*
001      81    85    159    248     461
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02093    97.53964    26.44069
    3     1 S   H    _H1_     3     1.02075    35.21616   138.42371
    4     1 S   H    _H2_     4     1.02148    81.72869   -81.49081
    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     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   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   _C18    36     1.86223    96.74202  -178.13670
   34    33 S   HC   _H3_    37     1.09908   103.53580   -30.55547
   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   _C15    38     1.58011   110.26803    79.96114
   39    38 S   OM   _O20    39     1.32499   112.37357    53.45992
   40    38 S   HC   _H37    40     1.10276   103.58916   -74.02785
   41    38 S   CT   _C16    41     1.54980   111.50593   173.39728
   42    41 S   HC   _H38    42     1.09943   111.17112  -173.61985
   43    41 S   CT   _C11    43     1.52939   112.77708   -51.13187
   44    43 S   HC   _H30    44     1.09466   110.24648   -65.57200
   45    43 S   HC   _H31    45     1.09868   109.06563   178.21140
   46    41 S   OS   _O25    77     1.43085   109.42729    69.55294
   47    43 S   CT   _C14    46     1.52974   110.81096    59.18829
   48    47 S   HC   _H36    47     1.10101   105.56839    68.59518
   49    46 S   CT   _C21    78     1.41746   111.18250   156.65720
   50    49 S   HC   _H44    79     1.09268   109.55628   179.90721
   51    49 S   HC   _H45    80     1.09281   109.48581    59.19569
   52    49 S   HC   _H46    81     1.09202   108.99638   -60.37951
   53    33 S   CT   _C19    48     1.57685   114.00690  -143.95535
   54    47 S   NTH0 _N19    59     1.48310   111.13508  -172.27681
   55    53 S   CA   _C5_    49     1.57261   114.52967    75.83414
   56    54 S   CT   _C12    60     1.47504   105.33183    83.24116
   57    56 S   HC   _H32    61     1.09582   109.09638   -89.92657
   58    56 S   HC   _H33    62     1.09730   112.49786   153.01351
   59    55 S   CA   _C4_    50     1.40387   124.23858   -20.93209
   60    59 S   HA   _H27    51     1.08054   123.17114     3.09952
   61    53 S   CT   _C17    63     1.56249   117.67727   -48.30946
   62    61 S   HC   _H39    64     1.09662   111.20125    99.70808
   63    59 S   CA   _C7_    52     1.38388   118.85859  -177.52472
   64    61 S   OH   _O23    65     1.41643   115.31548   -21.06655
   65    64 S   HO   _H47    66     0.97254   107.08114  -178.14048
   66    63 S   CA   _C8_    53     1.37166   122.20662    -0.31027
   67    66 S   CA   _C9_    54     1.37492   121.48985    -0.48173
   68    66 S   OS   _O22    72     1.36073   112.49271  -179.81025
   69    55 S   CA   _C6_    55     1.43271   117.53203   160.51853
   70    67 S   OS   _O24    67     1.35798   120.36931  -178.74477
   71    68 S   CO   _C13    73     1.44215   100.96510    -0.16313
   72    71 S   HC   _H34    74     1.09617   108.69685  -120.64919
   73    71 S   HC   _H35    75     1.09606   108.66105   121.11068
   74    69 S   CT   _C10    56     1.51583   120.31666    -5.85592
   75    74 S   HC   _H28    57     1.09705   110.25237   130.68803
   76    74 S   HC   _H29    58     1.09832   107.68507  -113.69595
   77    70 S   CT   _C20    68     1.42804   117.12052   -60.79295
   78    77 S   HC   _H41    69     1.09294   109.50749  -179.97202
   79    77 S   HC   _H42    70     1.09276   109.53899    59.24308
   80    77 S   HC   _H43    71     1.09267   109.05395   -60.42025
   81    63 S   OS   _O21    76     1.36192   125.51171   179.89913
  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
  19   8   2   1   1  13   6   5  13   6  12   6   5   5  15   6
   3   2   1   1  15  12  15  10   5   4  10   4   5   2   9   1
   1  10  12   6   5   5   3   2   1   2   1   1   3   2   1   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    53    55    61  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    47    48    53    55    59    69    54    56    61    62    64    46  
   38    39    40    41    47    53    55    61  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    53    55    61    46    49  
   40    41    42    43    53    46  
   41    42    43    53    46  
   42    43    44    45    47    48    53    54    46    49    50    51    52  
   43    44    45    47    46    49  
   44    45    47    48    53    55    74    54    56    61    46    49  
   45    47    48    53    54    46  
   47    48    53    54    46  
   49    50    51    52    47  
   48    53    55    59    69    74    75    76    54    56    57    58    61    62    64  
   53    55    74    54    56    61  
   50    51    52  
   51    52  
   52  
    0  
   55    59    60    63    67    69    74    54    56    57    58    61    62    64    65  
   56    57    58    61    62    64    55    67    69    74    75    76  
   59    60    63    66    67    69    74    75    76    56    61    62    64    70    81  
   57    58    61    62    64    65    69    74    75    76  
   58    61    62    64    74  
   61    62    64    74  
   60    63    66    67    69    74    61    68    71    81  
   63    66    69    81  
   62    64    65    69    74  
   64    65  
   66    67    69    70    68    71    72    73    81  
   65  
    0  
   67    69    74    70    77    68    71    72    73    81  
   69    74    75    76    70    77    78    79    80    68    71    81  
   71    72    73    81    69    70  
   74    75    76    70    77  
   77    78    79    80    74  
   72    73    81  
   73    81  
   81  
   75    76  
   76  
    0  
   78    79    80  
   79    80  
   80  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    53   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    54   310.000  1.447
   53    55   317.000  1.510
   53    61   268.000  1.529
   55    59   469.000  1.400
   55    69   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    66   469.000  1.400
   63    81   450.000  1.364
   66    67   469.000  1.400
   66    68   450.000  1.364
   67    69   469.000  1.400
   67    70   450.000  1.364
   69    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    54   310.000  1.447
   54    56   310.000  1.447
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    64   320.000  1.410
   64    65   553.000  0.945
   70    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   68    71   320.000  1.380
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    81   320.000  1.380
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    53    47    58.35000  112.70000
   33    53    55    70.00000  112.17500
   33    53    61    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    50.00000  109.50000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    49    60.00000  109.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    53    58.35000  112.70000
   43    47    54    75.00000  113.73300
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    53    55    70.00000  112.17500
   47    53    61    58.35000  112.70000
   47    54    74    80.00000  110.40700
   47    54    56    80.00000  110.40700
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    55    59    70.00000  120.00000
   53    55    69    70.00000  120.00000
   53    61    56    58.35000  112.70000
   53    61    62    37.50000  110.70000
   53    61    64    50.00000  109.50000
   55    59    60    35.00000  120.00000
   55    59    63    63.00000  120.00000
   55    69    67    63.00000  120.00000
   55    69    74    70.00000  120.00000
   59    63    66    63.00000  120.00000
   59    63    81    70.00000  120.00000
   63    59    60    35.00000  120.00000
   63    66    67    63.00000  120.00000
   63    66    68    70.00000  120.00000
   63    81    71   100.00000  112.36700
   66    67    69    63.00000  120.00000
   66    67    70    70.00000  120.00000
   66    68    71   100.00000  112.36700
   67    69    74    70.00000  120.00000
   67    70    77    75.00000  111.00000
   69    55    59    63.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    54    75.00000  112.33000
   74    54    56    80.00000  110.40700
   76    74    75    33.00000  107.80000
   54    47    48    50.00000  110.15500
   54    47    53    75.00000  113.73300
   54    74    75    50.00000  110.15500
   54    74    76    50.00000  110.15500
   54    56    57    50.00000  110.15500
   54    56    58    50.00000  110.15500
   54    56    61    75.00000  113.73300
   56    61    62    37.50000  110.70000
   56    61    64    50.00000  109.50000
   58    56    57    33.00000  107.80000
   61    53    55    70.00000  112.17500
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    64    65    55.00000  108.50000
   64    61    62    35.00000  109.50000
   70    67    69    70.00000  120.00000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   68    66    67    70.00000  120.00000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    81    92.60000  111.55000
   73    71    72    33.00000  109.50000
   81    63    66    70.00000  120.00000
   81    71    72    35.00000  109.50000
   81    71    73    35.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    55   0.56750  1.0 1.0
   29    33    53    55  -0.07550 -1.0 2.0
   29    33    53    55   0.20000  1.0 3.0
   29    33    53    61   0.44750  1.0 1.0
   29    33    53    61  -0.17800 -1.0 2.0
   29    33    53    61   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.62750  1.0 1.0
   33    38    41    46  -0.30950 -1.0 2.0
   33    38    41    46   0.27300  1.0 3.0
   33    53    55    59   0.04150 -1.0 2.0
   33    53    55    69   0.04150 -1.0 2.0
   33    53    61    56   0.56750  1.0 1.0
   33    53    61    56  -0.07550 -1.0 2.0
   33    53    61    56   0.20000  1.0 3.0
   33    53    61    62   0.15000  1.0 3.0
   33    53    61    64   0.86500  1.0 1.0
   33    53    61    64  -0.17500 -1.0 2.0
   33    53    61    64   0.20800  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    53    47   0.15000  1.0 3.0
   34    33    53    55   0.43200  1.0 3.0
   34    33    53    61   0.15000  1.0 3.0
   38    33    53    47   0.56750  1.0 1.0
   38    33    53    47  -0.07550 -1.0 2.0
   38    33    53    47   0.20000  1.0 3.0
   38    33    53    55  -0.03700  1.0 1.0
   38    33    53    55   0.37200 -1.0 2.0
   38    33    53    55  -0.47300  1.0 3.0
   38    33    53    61   0.56750  1.0 1.0
   38    33    53    61  -0.07550 -1.0 2.0
   38    33    53    61   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    47   0.56750  1.0 1.0
   38    41   -43    47  -0.07550 -1.0 2.0
   38    41   -43    47   0.20000  1.0 3.0
   38    41    46    49   0.06250  1.0 1.0
   38    41    46    49  -0.01100 -1.0 2.0
   38    41    46    49   0.28050  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    46   1.11900  1.0 1.0
   39    38    41    46  -1.16350 -1.0 2.0
   39    38    41    46  -0.34150  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    53   0.56750  1.0 1.0
   41    43    47    53  -0.07550 -1.0 2.0
   41    43    47    53   0.20000  1.0 3.0
   41    43    47    54   1.53400  1.0 1.0
   41    43    47    54  -0.09950 -1.0 2.0
   41    43    47    54   0.05700  1.0 3.0
   41    46    49    50   0.37050  1.0 3.0
   41    46    49    51   0.37050  1.0 3.0
   41    46    49    52   0.37050  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    49   0.37050  1.0 3.0
   43    41    46    49   0.06250  1.0 1.0
   43    41    46    49  -0.01100 -1.0 2.0
   43    41    46    49   0.28050  1.0 3.0
   43    47   -53    33   0.56750  1.0 1.0
   43    47   -53    33  -0.07550 -1.0 2.0
   43    47   -53    33   0.20000  1.0 3.0
   43    47    53    55  -0.03700  1.0 1.0
   43    47    53    55   0.37200 -1.0 2.0
   43    47    53    55  -0.47300  1.0 3.0
   43    47    53    61   0.56750  1.0 1.0
   43    47    53    61  -0.07550 -1.0 2.0
   43    47    53    61   0.20000  1.0 3.0
   43    47    54    74   1.99000  1.0 1.0
   43    47    54    74   0.18800 -1.0 2.0
   43    47    54    74   0.81350  1.0 3.0
   43    47    54    56   1.99000  1.0 1.0
   43    47    54    56   0.18800 -1.0 2.0
   43    47    54    56   0.81350  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   44    43    47    54   0.15000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    53   0.15000  1.0 3.0
   45    43    47    54   0.15000  1.0 3.0
   47    53    55    59   0.04150 -1.0 2.0
   47    53    55    69   0.04150 -1.0 2.0
   47    53   -61    56   0.56750  1.0 1.0
   47    53   -61    56  -0.07550 -1.0 2.0
   47    53   -61    56   0.20000  1.0 3.0
   47    53    61    62   0.15000  1.0 3.0
   47    53    61    64   0.86500  1.0 1.0
   47    53    61    64  -0.17500 -1.0 2.0
   47    53    61    64   0.20800  1.0 3.0
   47    54    56    57   0.28000  1.0 3.0
   47    54    56    58   0.28000  1.0 3.0
   47    54   -56    61   1.99000  1.0 1.0
   47    54   -56    61   0.18800 -1.0 2.0
   47    54   -56    61   0.81350  1.0 3.0
   48    47    53    33   0.15000  1.0 3.0
   48    47    53    55   0.43200  1.0 3.0
   48    47    53    61   0.15000  1.0 3.0
   48    47    54    74   0.28000  1.0 3.0
   48    47    54    56   0.28000  1.0 3.0
   53    33    38    39   0.62750  1.0 1.0
   53    33    38    39  -0.30950 -1.0 2.0
   53    33    38    39   0.27300  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    41   0.56750  1.0 1.0
   53    33   -38    41  -0.07550 -1.0 2.0
   53    33   -38    41   0.20000  1.0 3.0
   53    47    54    74   1.99000  1.0 1.0
   53    47    54    74   0.18800 -1.0 2.0
   53    47    54    74   0.81350  1.0 3.0
   53    47   -54    56   1.99000  1.0 1.0
   53    47   -54    56   0.18800 -1.0 2.0
   53    47   -54    56   0.81350  1.0 3.0
   53    55    59    60   3.62500 -1.0 2.0
   53    55    59    63   3.62500 -1.0 2.0
   53    55    69    67   3.62500 -1.0 2.0
   53    55   -69    74   3.62500 -1.0 2.0
   53    61    64    65  -0.11600  1.0 1.0
   53    61    64    65  -0.09450 -1.0 2.0
   53    61    64    65   0.21250  1.0 3.0
   55    53    61    56  -0.03700  1.0 1.0
   55    53    61    56   0.37200 -1.0 2.0
   55    53    61    56  -0.47300  1.0 3.0
   55    53    61    62   0.43200  1.0 3.0
   55    53    61    64   1.13150  1.0 1.0
   55    53    61    64  -1.01400 -1.0 2.0
   55    59    63    66   3.62500 -1.0 2.0
   55    59    63    81   3.62500 -1.0 2.0
   55    69    74    75   0.00000  1.0 1.0
   55    69    74    76   0.00000  1.0 1.0
   55    69    74    54   0.18550 -1.0 2.0
   55    69    74    54   0.14000  1.0 3.0
   59    55    69    67   3.62500 -1.0 2.0
   59    55    69    74   3.62500 -1.0 2.0
   59    63   -66    67   3.62500 -1.0 2.0
   59    63    66    68   3.62500 -1.0 2.0
   59    63    81    71   1.63200 -1.0 2.0
   60    59    63    66   3.62500 -1.0 2.0
   60    59    63    81   3.62500 -1.0 2.0
   63    66    67    69   3.62500 -1.0 2.0
   63    66    67    70   3.62500 -1.0 2.0
   63    66   -68    71   1.63200 -1.0 2.0
   66    63   -81    71   1.63200 -1.0 2.0
   66    67   -69    55   3.62500 -1.0 2.0
   66    67    69    74   3.62500 -1.0 2.0
   66    67    70    77   1.63200 -1.0 2.0
   66    68    71    72   0.08050  1.0 3.0
   66    68    71    73   0.08050  1.0 3.0
   66    68   -71    81  -0.25600  1.0 1.0
   66    68   -71    81  -0.40050 -1.0 2.0
   66    68   -71    81   0.34700  1.0 3.0
   67    66    68    71   1.63200 -1.0 2.0
   67    69    74    75   0.00000  1.0 1.0
   67    69    74    76   0.00000  1.0 1.0
   67    69    74    54   0.18550 -1.0 2.0
   67    69    74    54   0.14000  1.0 3.0
   67    70    77    78   0.08050  1.0 3.0
   67    70    77    79   0.08050  1.0 3.0
   67    70    77    80   0.08050  1.0 3.0
   69    55    59    60   3.62500 -1.0 2.0
   69    55   -59    63   3.62500 -1.0 2.0
   69    67    70    77   1.63200 -1.0 2.0
   69    74   -54    47   0.82600  1.0 1.0
   69    74   -54    47  -0.32100 -1.0 2.0
   69    74   -54    47   1.02000  1.0 3.0
   69    74    54    56   0.82600  1.0 1.0
   69    74    54    56  -0.32100 -1.0 2.0
   69    74    54    56   1.02000  1.0 3.0
   74    54    56    57   0.28000  1.0 3.0
   74    54    56    58   0.28000  1.0 3.0
   74    54    56    61   1.99000  1.0 1.0
   74    54    56    61   0.18800 -1.0 2.0
   74    54    56    61   0.81350  1.0 3.0
   75    74    54    47   0.28000  1.0 3.0
   75    74    54    56   0.28000  1.0 3.0
   76    74    54    47   0.28000  1.0 3.0
   76    74    54    56   0.28000  1.0 3.0
   54    47    53    33   1.53400  1.0 1.0
   54    47    53    33  -0.09950 -1.0 2.0
   54    47    53    33   0.05700  1.0 3.0
   54    47   -53    55   0.83750  1.0 1.0
   54    47   -53    55   0.32200 -1.0 2.0
   54    47   -53    55   0.70600  1.0 3.0
   54    47   -53    61   1.53400  1.0 1.0
   54    47   -53    61  -0.09950 -1.0 2.0
   54    47   -53    61   0.05700  1.0 3.0
   54    56   -61    53   1.53400  1.0 1.0
   54    56   -61    53  -0.09950 -1.0 2.0
   54    56   -61    53   0.05700  1.0 3.0
   54    56    61    62   0.15000  1.0 3.0
   54    56    61    64   3.18500  1.0 1.0
   56    61    64    65  -0.11600  1.0 1.0
   56    61    64    65  -0.09450 -1.0 2.0
   56    61    64    65   0.21250  1.0 3.0
   57    56    61    53   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    64   0.23400  1.0 3.0
   58    56    61    53   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    64   0.23400  1.0 3.0
   61    53    55    59   0.04150 -1.0 2.0
   61    53    55    69   0.04150 -1.0 2.0
   62    61    64    65   0.19450  1.0 3.0
   70    67    69    55   3.62500 -1.0 2.0
   70    67    69    74   3.62500 -1.0 2.0
   68    66    67    69   3.62500 -1.0 2.0
   68    66    67    70   3.62500 -1.0 2.0
   68    71   -81    63  -0.25600  1.0 1.0
   68    71   -81    63  -0.40050 -1.0 2.0
   68    71   -81    63   0.34700  1.0 3.0
   72    71    81    63   0.08050  1.0 3.0
   73    71    81    63   0.08050  1.0 3.0
   81    63    66    67   3.62500 -1.0 2.0
   81    63   -66    68   3.62500 -1.0 2.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    47   0.62750  1.0 1.0
   46    41    43    47  -0.30950 -1.0 2.0
   46    41    43    47   0.27300  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
   59    69    55    53   4.00000 -1.0 2.0
   63    60    59    55   1.10000 -1.0 2.0
   66    81    63    59   4.00000 -1.0 2.0
   67    68    66    63   4.00000 -1.0 2.0
   69    70    67    66   4.00000 -1.0 2.0
   67    74    69    55   4.00000 -1.0 2.0
END
