* LIGAND DATABASE FILE (OPLS2005)
*
001      89    94    163    267     479
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02027    90.87592    38.91973
    3     1 S   H    _H1_     3     1.02159    32.91221   163.35851
    4     1 S   H    _H2_     4     1.02146    89.63355   -69.77839
    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   167.74439
   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    57.98761
   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     8.59075
   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   105.32504
   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   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C24    36     1.83689    97.66693   161.85349
   34    33 S   HC   _H3_    37     1.09458   106.92577   158.52898
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CA   _C9_    38     1.51207   112.50084    39.99550
   39    33 S   CT   _C25    74     1.53951   108.01562   -83.38653
   40    39 S   HC   _H44    75     1.10694   110.58389    43.95959
   41    38 S   CA   _C4_    39     1.40602   121.06524    53.09803
   42    41 S   HA   _H39    40     1.08910   119.53784     0.82472
   43    39 S   OH   _O38    76     1.42534   108.55597   -75.30763
   44    43 S   HO   _H55    77     0.96923   106.39512    60.01096
   45    41 S   CA   _C5_    41     1.40088   121.20106  -179.05705
   46    45 S   CA   _C8_    42     1.39505   119.53195    -0.69745
   47    46 S   CA   _C15    43     1.39657   120.07891    -1.01278
   48    46 S   CO4  _C20    80     1.48176   120.30660   179.62938
   49    48 S   O    _O28    81     1.22528   121.55772  -179.81337
   50    38 S   CA   _C11    44     1.40127   120.71248  -129.29152
   51    47 S   OH   _O36    78     1.36583   121.82111  -178.85380
   52    51 S   HO   _H53    79     0.96899   110.07204    -0.05935
   53    48 S   OS   _O33    82     1.36650   116.49363     0.15702
   54    50 S   OS   _O29    45     1.37101   123.44872    -1.69501
   55    53 S   CM   _C22    83     1.41380   122.41397     0.09065
   56    54 S   CO   _C26    46     1.44454   114.63052   -23.06912
   57    45 S   CM   _C16    84     1.45468   120.77401   179.21665
   58    57 S   HC   _H40    85     1.08365   119.36232     0.27196
   59    55 S   CT   _C27    86     1.49352   113.99841   179.85329
   60    59 S   HC   _H45    87     1.08973   109.78275   -90.02972
   61    59 S   HC   _H46    88     1.09099   109.81781   149.77666
   62    59 S   HC   _H47    89     1.09003   109.81642    30.15109
   63    56 S   CT   _C23    47     1.55541   105.86932   178.83517
   64    63 S   HC   _H42    48     1.11893   110.76796    18.40180
   65    63 S   CA   _C10    49     1.48125   100.64123   136.06184
   66    63 S   OH   _O37    72     1.41350   113.72616  -103.98131
   67    66 S   HO   _H54    73     0.97266   107.22944    66.74359
   68    65 S   CA   _C12    50     1.38273   109.35255   -12.33230
   69    68 S   CA   _C14    51     1.38205   122.11838  -177.42679
   70    56 S   OS   _O30    71     1.46465   110.62253   -65.40584
   71    69 S   CA   _C7_    52     1.40087   117.84698    -0.52190
   72    69 S   OH   _O35    69     1.35873   118.77424   179.28756
   73    72 S   HO   _H52    70     0.97139   110.49021  -179.74899
   74    71 S   CA   _C6_    53     1.40580   120.37403     0.45154
   75    65 S   CA   _C13    54     1.38352   129.74737   170.49821
   76    74 S   CO4  _C18    57     1.47578   120.27131   179.72446
   77    76 S   O    _O26    58     1.22512   121.74674  -179.84805
   78    75 S   OH   _O34    55     1.35955   118.64923    -2.93492
   79    78 S   HO   _H51    56     0.97100   110.42939  -179.69481
   80    76 S   CM   _C17    59     1.47635   117.71757     0.15066
   81    80 S   HC   _H41    60     1.08579   116.83264   179.87028
   82    80 S   CM   _C21    61     1.33427   122.35992    -0.07662
   83    71 S   CO4  _C19    62     1.47709   119.20182  -179.69933
   84    83 S   O    _O27    63     1.22521   121.26072     0.19483
   85    82 S   OS   _O39    64     1.38042   120.48649  -179.94766
   86    85 S   CT   _C28    65     1.40715   112.59378   -90.01404
   87    86 S   HC   _H48    66     1.09244   109.50339   179.97202
   88    86 S   HC   _H49    67     1.09248   109.52455    59.18489
   89    86 S   HC   _H50    68     1.09304   108.96028   -60.41782
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  13  13   6  10   4   5   1  11  11   9   7
   2   6   2   1   7   7   6   9   5   1   3   2   1   1  10   6
  12   4   1   9  10   3  12   3   1  10   6   7   3   1   1   6
   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    50    56    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    47    50    54    56    63    70    39    40    43    44  
   38    41    50    56    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    47    50    54    56    39    40    43    51    57  
   40    43    44    41    50    54    56    63    64    65    66    68    70  
   43    44    54    56    63    70  
   42    45    46    47    50    54    48    55    57    58  
   45    46    50    57  
   44    54    56    63    70  
   56  
   46    47    50    51    48    49    53    55    57    58    59  
   47    50    54    51    52    48    49    53    55    57    58  
   50    54    56    51    52    48    49    53    57  
   49    53    55    57    59    50    51  
   53    55  
   54    56    63    70    51    52  
   52    54  
    0  
   55    57    58    59    60    61    62  
   56    63    64    65    68    70    66  
   57    58    59    60    61    62  
   63    64    65    68    69    75    70    66    67  
   58    59    60    61    62  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    65    68    69    74    75    78    70    66    67  
   65    68    75    70    66    67  
   68    69    71    74    75    78    79    76    72    70    66    67  
   67    68    70    75  
    0  
   69    71    74    75    78    83    72    73    70  
   71    74    75    76    82    83    84    72    73    70  
   71    72    75  
   74    75    78    76    77    80    82    83    84    85    72    73  
   73    74    83  
    0  
   75    78    79    76    77    80    81    82    83    84  
   78    79    76    77    80    83  
   77    80    81    82    83    85    78  
   80    81    82  
   79  
    0  
   81    82    83    84    85    86  
   82    83    85  
   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   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   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    50   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   469.000  1.400
   45    57   320.000  1.460
   46    47   469.000  1.400
   46    48   310.000  1.470
   47    50   469.000  1.400
   47    51   450.000  1.364
   50    54   450.000  1.364
   54    56   320.000  1.380
   56    63   250.000  1.527
   56    70   320.000  1.380
   56    39   250.000  1.527
   63    64   340.000  1.090
   63    65   317.000  1.510
   63    66   320.000  1.410
   65    68   469.000  1.400
   65    75   469.000  1.400
   68    69   469.000  1.400
   68    70   450.000  1.364
   69    71   469.000  1.400
   69    72   450.000  1.364
   71    74   469.000  1.400
   71    83   310.000  1.470
   74    75   469.000  1.400
   74    76   310.000  1.470
   75    78   450.000  1.364
   78    79   553.000  0.945
   76    77   570.000  1.229
   76    80   320.000  1.462
   80    81   340.000  1.080
   80    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
   72    73   553.000  0.945
   66    67   553.000  0.945
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   51    52   553.000  0.945
   48    49   570.000  1.229
   48    53   214.000  1.327
   53    55   440.000  1.360
   55    57   549.000  1.340
   55    59   317.000  1.510
   57    58   340.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    50    70.00000  120.00000
   33    39    56    75.00000  109.43000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    50    47    63.00000  120.00000
   38    50    54    70.00000  120.00000
   41    45    46    63.00000  120.00000
   41    45    57    60.00000  120.93500
   45    41    42    35.00000  120.00000
   45    46    47    63.00000  120.00000
   45    46    48    60.00000  119.52600
   45    57    55    60.00000  123.20500
   45    57    58    40.00000  117.26300
   46    47    50    63.00000  120.00000
   46    47    51    70.00000  120.00000
   46    48    49    75.00000  123.78400
   46    48    53    81.00000  111.40000
   47    50    54    70.00000  120.00000
   47    51    52    35.00000  113.00000
   50    38    41    63.00000  120.00000
   50    54    56   100.00000  112.36700
   54    56    63    90.00000  108.56700
   54    56    70    92.60000  111.55000
   54    56    39    90.00000  108.56700
   56    63    64    45.00000  108.72000
   56    63    65    70.00000  112.17500
   56    63    66    90.00000  111.58700
   56    70    68   100.00000  112.36700
   56    39    40    45.00000  108.72000
   56    39    43    90.00000  111.58700
   63    65    68    70.00000  120.00000
   63    65    75    70.00000  120.00000
   63    66    67    55.00000  108.50000
   65    63    64    35.00000  109.50000
   65    68    69    63.00000  120.00000
   65    68    70    70.00000  120.00000
   65    75    74    63.00000  120.00000
   65    75    78    70.00000  120.00000
   68    69    71    63.00000  120.00000
   68    69    72    70.00000  120.00000
   69    71    74    63.00000  120.00000
   69    71    83    60.00000  119.52600
   69    72    73    35.00000  113.00000
   71    74    75    63.00000  120.00000
   71    74    76    60.00000  119.52600
   71    83    82    65.00000  117.02400
   71    83    84    75.00000  123.78400
   74    75    78    70.00000  120.00000
   74    76    77    75.00000  123.78400
   74    76    80    65.00000  117.02400
   75    65    68    63.00000  120.00000
   75    78    79    35.00000  113.00000
   76    74    75    60.00000  119.52600
   76    80    81    40.00000  117.72500
   76    80    82    65.00000  118.96000
   80    76    77    80.00000  123.72100
   80    82    83    65.00000  118.96000
   80    82    85    80.00000  120.01400
   82    80    81    35.00000  120.00000
   82    83    84    80.00000  123.72100
   82    85    86    90.00000  111.18400
   83    71    74    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
   72    69    71    70.00000  120.00000
   70    56    63    90.00000  108.56700
   70    68    69    70.00000  120.00000
   66    63    64    35.00000  109.50000
   66    63    65    90.00000  112.51600
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    56    63    65.00000  112.71400
   39    56    70    90.00000  108.56700
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   51    47    50    70.00000  120.00000
   48    46    47    60.00000  119.52600
   48    53    55    90.00000  114.22900
   53    48    49    83.00000  123.40000
   53    55    57    80.00000  120.01400
   53    55    59    85.00000  112.85300
   55    57    58    35.00000  120.00000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   57    45    46    60.00000  120.93500
   59    55    57    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    50  -0.16000  1.0 1.0
   29    33    38    50  -0.03200 -1.0 2.0
   29    33    38    50   0.04500  1.0 3.0
   29    33    39    56   0.44750  1.0 1.0
   29    33    39    56  -0.17800 -1.0 2.0
   29    33    39    56   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    50    47   3.62500 -1.0 2.0
   33    38    50    54   3.62500 -1.0 2.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    50   0.00000  1.0 1.0
   34    33    39    56   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    56  -0.03700  1.0 1.0
   38    33    39    56   0.37200 -1.0 2.0
   38    33    39    56  -0.47300  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    43   1.13150  1.0 1.0
   38    33    39    43  -1.01400 -1.0 2.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    57   3.62500 -1.0 2.0
   38    50   -54    56   1.63200 -1.0 2.0
   41    38    50    47   3.62500 -1.0 2.0
   41    38    50    54   3.62500 -1.0 2.0
   41    45   -46    47   3.62500 -1.0 2.0
   41    45    46    48   3.62500 -1.0 2.0
   41    45    57    55   0.15800  1.0 1.0
   41    45    57    55   1.85350 -1.0 2.0
   41    45    57    55  -0.48700  1.0 3.0
   41    45    57    58   0.56550  1.0 3.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    57   3.62500 -1.0 2.0
   45    46    47    50   3.62500 -1.0 2.0
   45    46    47    51   3.62500 -1.0 2.0
   45    46    48    49   1.05000 -1.0 2.0
   45    46    48    53   0.98750 -1.0 2.0
   46    45    57    55   0.15800  1.0 1.0
   46    45    57    55   1.85350 -1.0 2.0
   46    45    57    55  -0.48700  1.0 3.0
   46    45    57    58   0.56550  1.0 3.0
   46    47   -50    38   3.62500 -1.0 2.0
   46    47    50    54   3.62500 -1.0 2.0
   46    47    51    52   0.84100 -1.0 2.0
   46    48   -53    55   2.00000 -1.0 2.0
   47    46    48    49   1.05000 -1.0 2.0
   47    46    48    53   0.98750 -1.0 2.0
   47    50    54    56   1.63200 -1.0 2.0
   50    38    41    42   3.62500 -1.0 2.0
   50    38   -41    45   3.62500 -1.0 2.0
   50    47    51    52   0.84100 -1.0 2.0
   50    54    56    63  -0.32850  1.0 1.0
   50    54    56    63  -0.35800 -1.0 2.0
   50    54    56    63   0.33950  1.0 3.0
   50    54    56    70  -0.25600  1.0 1.0
   50    54    56    70  -0.40050 -1.0 2.0
   50    54    56    70   0.34700  1.0 3.0
   50    54    56    39  -0.32850  1.0 1.0
   50    54    56    39  -0.35800 -1.0 2.0
   50    54    56    39   0.33950  1.0 3.0
   54    56    63    64   0.23400  1.0 3.0
   54    56    63    65  -0.64350  1.0 1.0
   54    56    63    65  -0.04200 -1.0 2.0
   54    56    63    65   0.19800  1.0 3.0
   54    56    63    66   3.69350  1.0 1.0
   54    56    63    66  -1.82950 -1.0 2.0
   54    56    70    68  -0.25600  1.0 1.0
   54    56    70    68  -0.40050 -1.0 2.0
   54    56    70    68   0.34700  1.0 3.0
   54    56   -39    33   0.62750  1.0 1.0
   54    56   -39    33  -0.30950 -1.0 2.0
   54    56   -39    33   0.27300  1.0 3.0
   54    56    39    40   0.23400  1.0 3.0
   54    56    39    43   3.69350  1.0 1.0
   54    56    39    43  -1.82950 -1.0 2.0
   56    63   -65    68   0.04150 -1.0 2.0
   56    63    65    75   0.04150 -1.0 2.0
   56    63    66    67  -0.11600  1.0 1.0
   56    63    66    67  -0.09450 -1.0 2.0
   56    63    66    67   0.21250  1.0 3.0
   56    39    43    44  -0.11600  1.0 1.0
   56    39    43    44  -0.09450 -1.0 2.0
   56    39    43    44   0.21250  1.0 3.0
   63    56   -70    68  -0.32850  1.0 1.0
   63    56   -70    68  -0.35800 -1.0 2.0
   63    56   -70    68   0.33950  1.0 3.0
   63    56    39    33   0.56750  1.0 1.0
   63    56    39    33  -0.07550 -1.0 2.0
   63    56    39    33   0.20000  1.0 3.0
   63    56    39    40   0.15000  1.0 3.0
   63    56    39    43   0.86500  1.0 1.0
   63    56    39    43  -0.17500 -1.0 2.0
   63    56    39    43   0.20800  1.0 3.0
   63    65    68    69   3.62500 -1.0 2.0
   63    65   -68    70   3.62500 -1.0 2.0
   63    65    75    74   3.62500 -1.0 2.0
   63    65    75    78   3.62500 -1.0 2.0
   64    63    65    68   0.00000  1.0 1.0
   64    63    65    75   0.00000  1.0 1.0
   64    63    66    67   0.19450  1.0 3.0
   65    63    66    67   0.31900  1.0 1.0
   65    63    66    67  -0.11800 -1.0 2.0
   65    63    66    67   0.38750  1.0 3.0
   65    68    69    71   3.62500 -1.0 2.0
   65    68    69    72   3.62500 -1.0 2.0
   65    68   -70    56   1.63200 -1.0 2.0
   65    75    78    79   0.84100 -1.0 2.0
   68    65    75    74   3.62500 -1.0 2.0
   68    65    75    78   3.62500 -1.0 2.0
   68    69   -71    74   3.62500 -1.0 2.0
   68    69    71    83   3.62500 -1.0 2.0
   68    69    72    73   0.84100 -1.0 2.0
   69    68    70    56   1.63200 -1.0 2.0
   69    71    74    75   3.62500 -1.0 2.0
   69    71    74    76   3.62500 -1.0 2.0
   69    71    83    82  -0.11500  1.0 1.0
   69    71    83    82   1.10450 -1.0 2.0
   69    71    83    82  -0.48050  1.0 3.0
   69    71    83    84   1.05000 -1.0 2.0
   71    69    72    73   0.84100 -1.0 2.0
   71    74   -75    65   3.62500 -1.0 2.0
   71    74    75    78   3.62500 -1.0 2.0
   71    74    76    77   1.05000 -1.0 2.0
   71    74    76    80  -0.11500  1.0 1.0
   71    74    76    80   1.10450 -1.0 2.0
   71    74    76    80  -0.48050  1.0 3.0
   74    71    83    82  -0.11500  1.0 1.0
   74    71    83    82   1.10450 -1.0 2.0
   74    71    83    82  -0.48050  1.0 3.0
   74    71    83    84   1.05000 -1.0 2.0
   74    75    78    79   0.84100 -1.0 2.0
   74    76    80    81   1.64500 -1.0 2.0
   74    76   -80    82  -1.65800  1.0 1.0
   74    76   -80    82   0.77650 -1.0 2.0
   75    65   -68    69   3.62500 -1.0 2.0
   75    65    68    70   3.62500 -1.0 2.0
   75    74    76    77   1.05000 -1.0 2.0
   75    74    76    80  -0.11500  1.0 1.0
   75    74    76    80   1.10450 -1.0 2.0
   75    74    76    80  -0.48050  1.0 3.0
   76    74    75    65   3.62500 -1.0 2.0
   76    74    75    78   3.62500 -1.0 2.0
   76    80    82    83   7.00000 -1.0 2.0
   76    80    82    85   7.00000 -1.0 2.0
   77    76    80    81   0.00000  1.0 1.0
   77    76    80    82   1.00000 -1.0 2.0
   80    82   -83    71  -1.65800  1.0 1.0
   80    82   -83    71   0.77650 -1.0 2.0
   80    82    83    84   1.00000 -1.0 2.0
   80    82    85    86  -2.26850  1.0 1.0
   80    82    85    86   3.39050 -1.0 2.0
   81    80    82    83   7.00000 -1.0 2.0
   81    80    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    71    74    75   3.62500 -1.0 2.0
   83    71   -74    76   3.62500 -1.0 2.0
   83    82    85    86   0.15100 -1.0 2.0
   85    82    83    71   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
   72    69    71    74   3.62500 -1.0 2.0
   72    69    71    83   3.62500 -1.0 2.0
   70    56    63    64   0.23400  1.0 3.0
   70    56   -63    65  -0.64350  1.0 1.0
   70    56   -63    65  -0.04200 -1.0 2.0
   70    56   -63    65   0.19800  1.0 3.0
   70    56    63    66   3.69350  1.0 1.0
   70    56    63    66  -1.82950 -1.0 2.0
   70    56    39    33   0.62750  1.0 1.0
   70    56    39    33  -0.30950 -1.0 2.0
   70    56    39    33   0.27300  1.0 3.0
   70    56    39    40   0.23400  1.0 3.0
   70    56    39    43   3.69350  1.0 1.0
   70    56    39    43  -1.82950 -1.0 2.0
   70    68    69    71   3.62500 -1.0 2.0
   70    68    69    72   3.62500 -1.0 2.0
   66    63    65    68   0.14300 -1.0 2.0
   66    63    65    68   0.00300  1.0 3.0
   66    63    65    75   0.14300 -1.0 2.0
   66    63    65    75   0.00300  1.0 3.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33   -38    50   0.04150 -1.0 2.0
   39    56    63    64   0.15000  1.0 3.0
   39    56    63    65  -0.03700  1.0 1.0
   39    56    63    65   0.37200 -1.0 2.0
   39    56    63    65  -0.47300  1.0 3.0
   39    56    63    66   0.86500  1.0 1.0
   39    56    63    66  -0.17500 -1.0 2.0
   39    56    63    66   0.20800  1.0 3.0
   39    56    70    68  -0.32850  1.0 1.0
   39    56    70    68  -0.35800 -1.0 2.0
   39    56    70    68   0.33950  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   51    47    50    38   3.62500 -1.0 2.0
   51    47    50    54   3.62500 -1.0 2.0
   48    46    47    50   3.62500 -1.0 2.0
   48    46    47    51   3.62500 -1.0 2.0
   48    53    55    57  -1.93650  1.0 1.0
   48    53    55    57   2.17750 -1.0 2.0
   48    53    55    57  -0.40250  1.0 3.0
   48    53    55    59   2.00000 -1.0 2.0
   49    48    53    55   3.00000 -1.0 2.0
   53    55   -57    45   7.00000 -1.0 2.0
   53    55    57    58   7.00000 -1.0 2.0
   53    55    59    60   0.00000  1.0 1.0
   53    55    59    61   0.00000  1.0 1.0
   53    55    59    62   0.00000  1.0 1.0
   57    45    46    47   3.62500 -1.0 2.0
   57    45   -46    48   3.62500 -1.0 2.0
   57    55    59    60   0.00000  1.0 1.0
   57    55    59    61   0.00000  1.0 1.0
   57    55    59    62   0.00000  1.0 1.0
   59    55    57    45   7.00000 -1.0 2.0
   59    55    57    58   7.00000 -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
   37    30    35    36  10.50000 -1.0 2.0
   41    50    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   46    57    45    41   4.00000 -1.0 2.0
   47    48    46    45   4.00000 -1.0 2.0
   50    51    47    46   4.00000 -1.0 2.0
   47    54    50    38   4.00000 -1.0 2.0
   68    75    65    63   4.00000 -1.0 2.0
   69    70    68    65   4.00000 -1.0 2.0
   71    72    69    68   4.00000 -1.0 2.0
   74    83    71    69   4.00000 -1.0 2.0
   75    76    74    71   4.00000 -1.0 2.0
   74    78    75    65   4.00000 -1.0 2.0
   74    80    76    77  10.50000 -1.0 2.0
   76    81    80    82   1.10000 -1.0 2.0
   83    85    82    80   1.10000 -1.0 2.0
   71    82    83    84  10.50000 -1.0 2.0
   46    53    48    49  10.50000 -1.0 2.0
   53    59    55    57   1.10000 -1.0 2.0
   45    58    57    55   1.10000 -1.0 2.0
END
