* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    156    259     470
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02036    96.29195    29.02298
    3     1 S   H    _H1_     3     1.02155    34.43261   143.17257
    4     1 S   H    _H2_     4     1.02091    83.39666   -79.16091
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO4  _C21    36     1.76475    99.96860  -178.21283
   34    33 S   O    _O34    37     1.22389   122.98325     1.75379
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   _C20    38     1.52116   112.67209  -179.97202
   39    38 S   HC   _H12    39     1.09538   108.86144   121.75469
   40    38 S   HC   _H13    40     1.09844   106.83150     6.13705
   41    38 S   CT   _C19    41     1.54822   113.06827  -114.13871
   42    41 S   HC   _H5_    42     1.10119   104.92910   -65.98231
   43    41 S   CA   _C22    43     1.52506   113.81836   177.23303
   44    41 S   CA   _C17    56     1.52509   112.72859    49.37044
   45    43 S   CA   _C23    44     1.39542   120.01102   175.46585
   46    45 S   HA   _H14    45     1.08688   120.48656    -0.01978
   47    44 S   CA   _C18    57     1.39721   120.33923    65.51778
   48    45 S   CA   _C24    46     1.39445   119.98377   179.90721
   49    48 S   HA   _H15    47     1.08658   119.60128  -179.95577
   50    47 S   CA   _C13    58     1.40081   120.34197  -178.90783
   51    48 S   CA   _C25    48     1.39553   120.01409    -0.04846
   52    50 S   CA   _C14    59     1.40223   119.06144    -1.97902
   53    50 S   CT   _C12    67     1.50471   121.26462   179.05415
   54    53 S   HC   _H9_    68     1.09673   108.09684   105.22674
   55    53 S   HC   _H10    69     1.09651   109.92888  -136.25778
   56    51 S   CA   _C26    49     1.39474   119.97621     0.09691
   57    51 S   OH   _O36    54     1.36262   119.41986  -179.97202
   58    57 S   HO   _H18    55     0.96999   110.18343     0.03956
   59    52 S   CA   _C15    60     1.39435   120.45929     1.34625
   60    59 S   HA   _H11    61     1.08735   119.98044   179.71814
   61    52 S   OH   _O38    65     1.36403   120.90202  -178.77955
   62    61 S   HO   _H20    66     0.96921   110.10807  -179.88465
   63    53 S   CT   _C11    70     1.52781   111.07993   -14.92872
   64    63 S   HC   _H4_    71     1.09823   109.71990   164.83290
   65    43 S   CA   _C27    50     1.39464   119.99811    -4.62088
   66    65 S   HA   _H16    51     1.08764   120.11853     0.04846
   67    56 S   OH   _O35    52     1.36268   120.51118   179.94766
   68    67 S   HO   _H17    53     0.97015   110.16988   179.97202
   69    44 S   CA   _C16    62     1.39409   119.58952  -114.83595
   70    63 S   CT   _C10    72     1.53379   109.40744    42.63817
   71    70 S   HC   _H3_    73     1.10869   109.42308    58.45346
   72    63 S   OH   _O39    88     1.42825   109.16221   -77.90379
   73    72 S   HO   _H21    89     0.96850   106.32710   -59.99524
   74    69 S   OH   _O37    63     1.36248   120.83950    -0.03956
   75    74 S   HO   _H19    64     0.97013   110.17535  -179.89913
   76    70 S   CA   _C9_    74     1.51696   111.83232   175.52565
   77    47 S   OS   _O33    87     1.37045   116.16155    -0.61230
   78    76 S   CA   _C4_    75     1.39484   119.97815   -89.10711
   79    78 S   HA   _H6_    76     1.08664   120.54889    -0.00000
   80    78 S   CA   _C5_    77     1.39505   120.00297   179.87180
   81    80 S   HA   _H7_    78     1.08684   119.64400   179.97202
   82    80 S   CA   _C6_    79     1.39488   120.00630     0.00000
   83    82 S   CA   _C7_    80     1.39576   119.97519    -0.00000
   84    82 S   OH   _O41    85     1.36260   119.47910   179.98022
   85    84 S   HO   _H23    86     0.97015   110.14487     0.03956
   86    76 S   CA   _C8_    81     1.39488   120.03099    90.76495
   87    86 S   HA   _H8_    82     1.08713   120.11947     0.07133
   88    83 S   OH   _O40    83     1.36241   120.50343   179.96044
   89    88 S   HO   _H22    84     0.97004   110.18836  -180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
   8   4   2   1   1  10   5   4  15   6  12  13   8   4  14   7
   3  14   7  11  12   5   4   6   3   1   6   3   2   1   9   6
   3   1   1   1   3  11   5   3   1   1   1  10   2   8   4   7
   3   7   6   3   1   3   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    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44  
   38    39    40    41  
   36    37  
   37  
    0  
   39    40    41    42    43    45    65    44    47    69  
   40    41    42    43    44  
   41    42    43    44  
   42    43    45    46    48    56    65    66    44    47    50    59    69    74    77  
   43    45    65    44    47    69  
   45    46    48    49    51    56    65    66    67    44    47    69  
   47    50    52    59    60    69    74    75    53    70    77    45    65  
   46    48    49    51    56    65    66    57  
   48    49    51    65  
   50    52    59    69    74    61    53    54    55    63    70    71    76    77  
   49    51    56    65    67    57    58  
   51    56    57  
   52    59    60    69    61    62    53    54    55    63    64    70    77    72  
   56    65    66    67    68    57    58  
   59    60    69    74    61    62    53    54    55    63    77  
   54    55    63    64    70    71    76    77    72    73    59    61  
   55    63    64    70    72  
   63    64    70    72  
   65    66    67    68    57    58  
   58    65    67  
    0  
   60    69    74    75    61    62  
   69    74    61  
   62    69  
    0  
   64    70    71    76    78    86    77    72    73  
   70    71    76    77    72    73  
   66    67    68  
   67  
   68  
    0  
   74    75    77  
   71    76    78    79    80    83    86    87    77    72    73  
   76    78    86    77    72  
   73    76    77  
    0  
   75  
    0  
   78    79    80    81    82    83    86    87    88    77  
   78    86  
   79    80    81    82    83    86    87    84  
   80    81    82    86  
   81    82    83    86    88    84    85  
   82    83    84  
   83    86    87    88    89    84    85  
   86    87    88    89    84    85  
   85    86    88  
    0  
   87    88    89  
   88  
   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  -0.219900   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   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   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   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.205000   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   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   89   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    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   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   317.000  1.510
   41    44   317.000  1.510
   43    45   469.000  1.400
   43    65   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    56   469.000  1.400
   51    57   450.000  1.364
   56    65   469.000  1.400
   56    67   450.000  1.364
   65    66   367.000  1.080
   67    68   553.000  0.945
   57    58   553.000  0.945
   44    47   469.000  1.400
   44    69   469.000  1.400
   47    50   469.000  1.400
   47    77   450.000  1.364
   50    52   469.000  1.400
   50    53   317.000  1.510
   52    59   469.000  1.400
   52    61   450.000  1.364
   59    60   367.000  1.080
   59    69   469.000  1.400
   69    74   450.000  1.364
   74    75   553.000  0.945
   61    62   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    63   268.000  1.529
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    72   320.000  1.410
   70    71   340.000  1.090
   70    76   317.000  1.510
   70    77   320.000  1.410
   76    78   469.000  1.400
   76    86   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   469.000  1.400
   82    84   450.000  1.364
   83    86   469.000  1.400
   83    88   450.000  1.364
   86    87   367.000  1.080
   88    89   553.000  0.945
   84    85   553.000  0.945
   72    73   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    35.00000  109.50000
   33    38    40    35.00000  109.50000
   33    38    41    63.00000  111.10000
   38    33    34    80.00000  120.40000
   38    41    42    37.50000  110.70000
   38    41    43    70.00000  112.17500
   38    41    44    70.00000  112.17500
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    45    70.00000  120.00000
   41    43    65    70.00000  120.00000
   41    44    47    70.00000  120.00000
   41    44    69    70.00000  120.00000
   43    41    42    35.00000  109.50000
   43    45    46    35.00000  120.00000
   43    45    48    63.00000  120.00000
   43    65    56    63.00000  120.00000
   43    65    66    35.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    51    63.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    51    57    70.00000  120.00000
   51    48    49    35.00000  120.00000
   51    56    65    63.00000  120.00000
   51    56    67    70.00000  120.00000
   51    57    58    35.00000  113.00000
   56    65    66    35.00000  120.00000
   56    67    68    35.00000  113.00000
   65    43    45    63.00000  120.00000
   67    56    65    70.00000  120.00000
   57    51    56    70.00000  120.00000
   44    41    42    35.00000  109.50000
   44    41    43    70.00000  112.04700
   44    47    50    63.00000  120.00000
   44    47    77    70.00000  120.00000
   44    69    59    63.00000  120.00000
   44    69    74    70.00000  120.00000
   47    50    52    63.00000  120.00000
   47    50    53    70.00000  120.00000
   47    77    70    75.00000  111.00000
   50    52    59    63.00000  120.00000
   50    52    61    70.00000  120.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    63    70.00000  112.17500
   52    59    60    35.00000  120.00000
   52    59    69    63.00000  120.00000
   52    61    62    35.00000  113.00000
   59    69    74    70.00000  120.00000
   69    44    47    63.00000  120.00000
   69    59    60    35.00000  120.00000
   69    74    75    35.00000  113.00000
   61    52    59    70.00000  120.00000
   53    50    52    70.00000  120.00000
   53    63    64    37.50000  110.70000
   53    63    70    58.35000  112.70000
   53    63    72    50.00000  109.50000
   55    53    54    33.00000  107.80000
   63    53    54    37.50000  110.70000
   63    53    55    37.50000  110.70000
   63    70    71    37.50000  110.70000
   63    70    76    70.00000  112.17500
   63    70    77    50.00000  109.50000
   63    72    73    55.00000  108.50000
   70    63    64    37.50000  110.70000
   70    76    78    70.00000  120.00000
   70    76    86    70.00000  120.00000
   76    70    71    35.00000  109.50000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   76    86    83    63.00000  120.00000
   76    86    87    35.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    63.00000  120.00000
   80    82    84    70.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    86    63.00000  120.00000
   82    83    88    70.00000  120.00000
   82    84    85    35.00000  113.00000
   83    86    87    35.00000  120.00000
   83    88    89    35.00000  113.00000
   86    76    78    63.00000  120.00000
   88    83    86    70.00000  120.00000
   84    82    83    70.00000  120.00000
   77    47    50    70.00000  120.00000
   77    70    71    35.00000  109.50000
   77    70    76    85.00000  111.85700
   72    63    64    35.00000  109.50000
   72    63    70    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   0.00000  1.0 1.0
   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  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    41   0.00000  1.0 1.0
   33    38    41    42  -0.11250  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    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    41   0.30150 -1.0 2.0
   38    41    43    45   0.04150 -1.0 2.0
   38    41    43    65   0.04150 -1.0 2.0
   38    41    44    47   0.04150 -1.0 2.0
   38    41    44    69   0.04150 -1.0 2.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.43200  1.0 3.0
   39    38    41    44   0.43200  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.43200  1.0 3.0
   40    38    41    44   0.43200  1.0 3.0
   41    43    45    46   3.62500 -1.0 2.0
   41    43    45    48   3.62500 -1.0 2.0
   41    43    65    56   3.62500 -1.0 2.0
   41    43    65    66   3.62500 -1.0 2.0
   41    44    47    50   3.62500 -1.0 2.0
   41    44    47    77   3.62500 -1.0 2.0
   41    44    69    59   3.62500 -1.0 2.0
   41    44    69    74   3.62500 -1.0 2.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    65   0.00000  1.0 1.0
   42    41    44    47   0.00000  1.0 1.0
   42    41    44    69   0.00000  1.0 1.0
   43    41    44    47   0.04300 -1.0 2.0
   43    41    44    69   0.04300 -1.0 2.0
   43    45    48    49   3.62500 -1.0 2.0
   43    45    48    51   3.62500 -1.0 2.0
   45    43    65    56   3.62500 -1.0 2.0
   45    43    65    66   3.62500 -1.0 2.0
   45    48   -51    56   3.62500 -1.0 2.0
   45    48    51    57   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   48    51    56    65   3.62500 -1.0 2.0
   48    51    56    67   3.62500 -1.0 2.0
   48    51    57    58   0.84100 -1.0 2.0
   49    48    51    56   3.62500 -1.0 2.0
   49    48    51    57   3.62500 -1.0 2.0
   51    56   -65    43   3.62500 -1.0 2.0
   51    56    65    66   3.62500 -1.0 2.0
   51    56    67    68   0.84100 -1.0 2.0
   56    51    57    58   0.84100 -1.0 2.0
   65    43    45    46   3.62500 -1.0 2.0
   65    43   -45    48   3.62500 -1.0 2.0
   65    56    67    68   0.84100 -1.0 2.0
   67    56    65    43   3.62500 -1.0 2.0
   67    56    65    66   3.62500 -1.0 2.0
   57    51    56    65   3.62500 -1.0 2.0
   57    51    56    67   3.62500 -1.0 2.0
   44    41    43    45   0.04300 -1.0 2.0
   44    41    43    65   0.04300 -1.0 2.0
   44    47    50    52   3.62500 -1.0 2.0
   44    47    50    53   3.62500 -1.0 2.0
   44    47    77    70   1.63200 -1.0 2.0
   44    69    74    75   0.84100 -1.0 2.0
   47    44    69    59   3.62500 -1.0 2.0
   47    44    69    74   3.62500 -1.0 2.0
   47    50   -52    59   3.62500 -1.0 2.0
   47    50    52    61   3.62500 -1.0 2.0
   47    50    53    54   0.00000  1.0 1.0
   47    50    53    55   0.00000  1.0 1.0
   47    50    53    63   0.04150 -1.0 2.0
   50    47    77    70   1.63200 -1.0 2.0
   50    52    59    60   3.62500 -1.0 2.0
   50    52    59    69   3.62500 -1.0 2.0
   50    52    61    62   0.84100 -1.0 2.0
   50    53    63    64   0.43200  1.0 3.0
   50    53   -63    70  -0.03700  1.0 1.0
   50    53   -63    70   0.37200 -1.0 2.0
   50    53   -63    70  -0.47300  1.0 3.0
   50    53    63    72   1.13150  1.0 1.0
   50    53    63    72  -1.01400 -1.0 2.0
   52    50    53    54   0.00000  1.0 1.0
   52    50    53    55   0.00000  1.0 1.0
   52    50    53    63   0.04150 -1.0 2.0
   52    59   -69    44   3.62500 -1.0 2.0
   52    59    69    74   3.62500 -1.0 2.0
   59    52    61    62   0.84100 -1.0 2.0
   59    69    74    75   0.84100 -1.0 2.0
   60    59    69    44   3.62500 -1.0 2.0
   60    59    69    74   3.62500 -1.0 2.0
   69    44   -47    50   3.62500 -1.0 2.0
   69    44    47    77   3.62500 -1.0 2.0
   61    52    59    60   3.62500 -1.0 2.0
   61    52    59    69   3.62500 -1.0 2.0
   53    50    52    59   3.62500 -1.0 2.0
   53    50    52    61   3.62500 -1.0 2.0
   53    63    70    71   0.15000  1.0 3.0
   53    63    70    76  -0.03700  1.0 1.0
   53    63    70    76   0.37200 -1.0 2.0
   53    63    70    76  -0.47300  1.0 3.0
   53    63    70    77   0.62750  1.0 1.0
   53    63    70    77  -0.30950 -1.0 2.0
   53    63    70    77   0.27300  1.0 3.0
   53    63    72    73  -0.11600  1.0 1.0
   53    63    72    73  -0.09450 -1.0 2.0
   53    63    72    73   0.21250  1.0 3.0
   54    53    63    64   0.15000  1.0 3.0
   54    53    63    70   0.15000  1.0 3.0
   54    53    63    72   0.23400  1.0 3.0
   55    53    63    64   0.15000  1.0 3.0
   55    53    63    70   0.15000  1.0 3.0
   55    53    63    72   0.23400  1.0 3.0
   63    70    76    78   0.04150 -1.0 2.0
   63    70    76    86   0.04150 -1.0 2.0
   63    70   -77    47  -0.32850  1.0 1.0
   63    70   -77    47  -0.35800 -1.0 2.0
   63    70   -77    47   0.33950  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    76   0.43200  1.0 3.0
   64    63    70    77   0.23400  1.0 3.0
   64    63    72    73   0.19450  1.0 3.0
   70    63    72    73  -0.11600  1.0 1.0
   70    63    72    73  -0.09450 -1.0 2.0
   70    63    72    73   0.21250  1.0 3.0
   70    76    78    79   3.62500 -1.0 2.0
   70    76    78    80   3.62500 -1.0 2.0
   70    76    86    83   3.62500 -1.0 2.0
   70    76    86    87   3.62500 -1.0 2.0
   71    70    76    78   0.00000  1.0 1.0
   71    70    76    86   0.00000  1.0 1.0
   71    70    77    47   0.08050  1.0 3.0
   76    70    77    47  -0.50150  1.0 1.0
   76    70    77    47  -0.23050 -1.0 2.0
   76    70    77    47   0.70600  1.0 3.0
   76    78    80    81   3.62500 -1.0 2.0
   76    78    80    82   3.62500 -1.0 2.0
   78    76    86    83   3.62500 -1.0 2.0
   78    76    86    87   3.62500 -1.0 2.0
   78    80   -82    83   3.62500 -1.0 2.0
   78    80    82    84   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82    83    86   3.62500 -1.0 2.0
   80    82    83    88   3.62500 -1.0 2.0
   80    82    84    85   0.84100 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    83   -86    76   3.62500 -1.0 2.0
   82    83    86    87   3.62500 -1.0 2.0
   82    83    88    89   0.84100 -1.0 2.0
   83    82    84    85   0.84100 -1.0 2.0
   86    76    78    79   3.62500 -1.0 2.0
   86    76   -78    80   3.62500 -1.0 2.0
   86    83    88    89   0.84100 -1.0 2.0
   88    83    86    76   3.62500 -1.0 2.0
   88    83    86    87   3.62500 -1.0 2.0
   84    82    83    86   3.62500 -1.0 2.0
   84    82    83    88   3.62500 -1.0 2.0
   77    47    50    52   3.62500 -1.0 2.0
   77    47   -50    53   3.62500 -1.0 2.0
   77    70    76    78   0.64500  1.0 1.0
   77    70    76    78   0.14800 -1.0 2.0
   77    70    76    78   0.20650  1.0 3.0
   77    70    76    86   0.64500  1.0 1.0
   77    70    76    86   0.14800 -1.0 2.0
   77    70    76    86   0.20650  1.0 3.0
   72    63    70    71   0.23400  1.0 3.0
   72    63    70    76   1.13150  1.0 1.0
   72    63    70    76  -1.01400 -1.0 2.0
   72    63    70    77   3.69350  1.0 1.0
   72    63    70    77  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   29    38    33    34  10.50000 -1.0 2.0
   45    65    43    41   4.00000 -1.0 2.0
   48    46    45    43   1.10000 -1.0 2.0
   51    49    48    45   1.10000 -1.0 2.0
   56    57    51    48   4.00000 -1.0 2.0
   65    67    56    51   4.00000 -1.0 2.0
   56    66    65    43   1.10000 -1.0 2.0
   47    69    44    41   4.00000 -1.0 2.0
   50    77    47    44   4.00000 -1.0 2.0
   52    53    50    47   4.00000 -1.0 2.0
   59    61    52    50   4.00000 -1.0 2.0
   69    60    59    52   1.10000 -1.0 2.0
   59    74    69    44   4.00000 -1.0 2.0
   78    86    76    70   4.00000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   83    84    82    80   4.00000 -1.0 2.0
   86    88    83    82   4.00000 -1.0 2.0
   83    87    86    76   1.10000 -1.0 2.0
END
