* LIGAND DATABASE FILE (OPLS2005)
*
001      91    94    171    253     493
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02113    94.81685   -60.63861
    3     1 S   H    _H1_     3     1.02022    85.28801    47.74779
    4     1 S   H    _H2_     4     1.02154    33.71959  -177.57392
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   CT   _C24    36     1.86959    96.59440  -158.13756
   34    33 S   HC   _H4_    37     1.09555   106.44246    33.71252
   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   CM   _C23    38     1.51269   103.90639   -79.99576
   39    38 S   CM   _C22    39     1.34423   120.95427   -97.77655
   40    38 S   OS   _O36    87     1.37924   114.59696    80.81685
   41    39 S   CM   _C21    40     1.44302   120.96580    -6.56937
   42    41 S   HC   _H26    41     1.08721   116.25835   179.80021
   43    39 S   OH   _O37    85     1.37449   125.09643   176.30848
   44    43 S   HO   _H30    86     0.96480   110.13359   177.28343
   45    40 S   CT   _C25    88     1.40659   112.54888    91.45423
   46    45 S   HC   _H27    89     1.09302   109.52417   179.98022
   47    45 S   HC   _H28    90     1.09281   109.51837    59.19164
   48    45 S   HC   _H29    91     1.09230   108.97860   -60.40581
   49    41 S   CM   _C20    42     1.34834   122.13363   -12.31119
   50    49 S   CT   _C19    43     1.51837   119.19970  -157.71273
   51    50 S   HC   _H3_    44     1.10026   107.36532    -7.06341
   52    33 S   CT   _C7_    58     1.59311   113.99114   154.22564
   53    50 S   CT   _C18    45     1.54262   114.51732  -123.27174
   54    53 S   HC   _H24    46     1.09695   111.64644  -118.19734
   55    53 S   HC   _H25    47     1.09825   107.77734   126.79186
   56    52 S   CT   _C6_    59     1.56801   110.63589  -158.13099
   57    56 S   HC   _H10    60     1.09288   114.02155    61.67150
   58    56 S   HC   _H11    61     1.10062   109.55391   -54.65732
   59    50 S   NT   _N4_    65     1.48201   108.10489   105.62376
   60    53 S   CT   _C17    48     1.52549   114.41670     6.13999
   61    60 S   HC   _H22    49     1.09736   107.79983   161.46269
   62    60 S   HC   _H23    50     1.09639   113.19232    45.56278
   63    56 S   CT   _C5_    62     1.54854   112.42495  -174.76587
   64    63 S   HC   _H8_    63     1.09756   107.48259   177.31190
   65    63 S   HC   _H9_    64     1.09654   110.32770   -66.58205
   66    59 S   CT   _C4_    66     1.45720   114.25462  -177.06135
   67    66 S   HC   _H5_    67     1.09367   110.11749    48.47125
   68    66 S   HC   _H6_    68     1.09348   110.24892   -71.48044
   69    66 S   HC   _H7_    69     1.09334   110.28073   168.50755
   70    60 S   CA   _C9_    51     1.50810   109.88625   -78.88556
   71    70 S   CA   _C10    52     1.41194   116.84023  -116.77162
   72    71 S   HA   _H12    53     1.08849   119.87284    -2.07028
   73    71 S   CA   _C11    54     1.39156   121.60286   177.08207
   74    73 S   CA   _C12    55     1.38512   119.45818    -0.02798
   75    73 S   OS   _O35    80     1.36138   119.62945  -179.75691
   76    74 S   CA   _C13    56     1.39497   119.68129     0.46730
   77    74 S   OS   _O34    75     1.36342   119.74349   179.74821
   78    75 S   CT   _C16    81     1.42624   117.04089    89.75686
   79    78 S   HC   _H19    82     1.09368   109.49405  -179.98022
   80    78 S   HC   _H20    83     1.09229   109.57415    59.24706
   81    78 S   HC   _H21    84     1.09232   109.00952   -60.47125
   82    70 S   CA   _C8_    57     1.41235   123.45776    60.91897
   83    76 S   OS   _O33    70     1.36957   114.93748   177.27193
   84    77 S   CT   _C15    76     1.42539   117.02914   -89.99032
   85    84 S   HC   _H16    77     1.09261   109.53141  -179.91607
   86    84 S   HC   _H17    78     1.09244   109.49604    59.20444
   87    84 S   HC   _H18    79     1.09266   108.95728   -60.35194
   88    83 S   CT   _C14    71     1.42243   116.78415    62.57719
   89    88 S   HC   _H13    72     1.09299   109.52492   179.96044
   90    88 S   HC   _H14    73     1.09284   109.54774    59.14754
   91    88 S   HC   _H15    74     1.09307   108.96624   -60.49738
  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
  17   7   2   1   1  14   9   7  11   4   2   1   3   2   1   1
  16  19   8  15  11   6   5  10   6   5   8   8   4   3   7   2
   1   3   2   1   1   8   8   4  11  11   6   8   6   3   2   1
   1   2   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    82    52    56    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    49    50    70    76    82    52    56    57    58    63    43    40    45  
   38    39    49    82    52    56    40  
   36    37  
   37  
    0  
   39    41    42    49    82    52    56    43    44    40    45    46    47    48  
   41    42    49    50    52    43    44    40    45  
   45    46    47    48    41    43    52  
   42    49    50    51    53    82    52    56    59    43    44  
   49    50    52    43  
   44    49  
    0  
   46    47    48  
   47    48  
   48  
    0  
   50    51    53    54    55    60    70    76    82    52    56    57    58    63    59    66  
   51    53    54    55    60    61    62    70    82    52    56    63    64    65    59    66    67    68    69  
   53    54    55    60    52    63    59    66  
   56    57    58    63    64    65    59    83    53    60    70    71    74    76    82  
   54    55    60    61    62    70    71    82    63    59    66  
   55    60    61    62    70    59  
   60    61    62    70    59  
   57    58    63    64    65    59    66    70    76    82  
   58    63    64    65    59    82  
   63    64    65    59    82  
   66    67    68    69    60    63    64    65  
   61    62    70    71    72    73    76    82  
   62    70    71    82  
   70    71    82  
   64    65    66    67    68    69    82  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    76    82    83    75  
   72    73    74    76    82    77    75    78  
   73    74    82    75  
   74    76    82    83    77    84    75    78    79    80    81  
   76    82    83    88    77    84    85    86    87    75    78  
   78    79    80    81    76    77  
   82    83    88    89    90    91    77    84  
   84    85    86    87    82    83  
   79    80    81  
   80    81  
   81  
    0  
   83    88  
   88    89    90    91  
   85    86    87  
   86    87  
   87  
    0  
   89    90    91  
   90    91  
   91  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   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    52   268.000  1.529
   38    39   549.000  1.340
   38    40   440.000  1.360
   39    41   380.000  1.444
   39    43   510.000  1.338
   41    42   340.000  1.080
   41    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    59   382.000  1.448
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   317.000  1.510
   70    71   469.000  1.400
   70    82   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    77   450.000  1.364
   76    82   469.000  1.400
   76    83   450.000  1.364
   82    52   317.000  1.510
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    59   382.000  1.448
   59    66   382.000  1.448
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   83    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   77    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   75    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   43    44   553.000  0.945
   40    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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  112.20000
   29    33    52    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    85.00000  112.85300
   33    52    49    70.00000  112.02700
   33    52    82    70.00000  112.17500
   33    52    56    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    41    70.00000  123.01800
   38    39    43    80.00000  121.38400
   38    40    45    90.00000  111.18400
   39    41    42    35.00000  120.00000
   39    41    49    70.00000  123.01800
   39    43    44    70.00000  107.45700
   41    49    50    70.00000  124.00000
   41    49    52    70.00000  124.00000
   49    41    42    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    53    70.00000  112.02700
   49    50    59    75.00000  110.70900
   49    52    82    70.00000  112.99600
   49    52    56    70.00000  112.02700
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    60    58.35000  112.70000
   50    59    63    51.80000  107.20000
   50    59    66    51.80000  107.20000
   53    50    51    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    70    70.00000  112.17500
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    70    71    70.00000  120.00000
   60    70    82    70.00000  120.00000
   62    60    61    33.00000  107.80000
   70    60    61    35.00000  109.50000
   70    60    62    35.00000  109.50000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    82    76    63.00000  120.00000
   70    82    52    70.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    77    70.00000  120.00000
   73    75    78    75.00000  111.00000
   74    76    82    63.00000  120.00000
   74    76    83    70.00000  120.00000
   74    77    84    75.00000  111.00000
   76    82    52    70.00000  120.00000
   76    83    88    75.00000  111.00000
   82    70    71    63.00000  120.00000
   82    52    56    70.00000  112.17500
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.02700
   52    49    50    65.00000  117.92700
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    63    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    59    56.20000  109.47000
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    59    66    51.80000  107.20000
   65    63    64    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    53    56.20000  109.47000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    66    67    35.00000  109.50000
   59    66    68    35.00000  109.50000
   59    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   83    76    82    70.00000  120.00000
   83    88    89    35.00000  109.50000
   83    88    90    35.00000  109.50000
   83    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   77    74    76    70.00000  120.00000
   77    84    85    35.00000  109.50000
   77    84    86    35.00000  109.50000
   77    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   75    73    74    70.00000  120.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   43    39    41    80.00000  121.38400
   40    38    39    80.00000  120.01400
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.09700  1.0 1.0
   29    33    38    40   0.15600 -1.0 2.0
   29    33    38    40  -0.50800  1.0 3.0
   29    33    52    49   0.56750  1.0 1.0
   29    33    52    49  -0.07550 -1.0 2.0
   29    33    52    49   0.20000  1.0 3.0
   29    33    52    82   0.56750  1.0 1.0
   29    33    52    82  -0.07550 -1.0 2.0
   29    33    52    82   0.20000  1.0 3.0
   29    33    52    56   0.44750  1.0 1.0
   29    33    52    56  -0.17800 -1.0 2.0
   29    33    52    56   0.20200  1.0 3.0
   33    38    39    41   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    40    45   2.00000 -1.0 2.0
   33    52    56    57   0.15000  1.0 3.0
   33    52    56    58   0.15000  1.0 3.0
   33    52    56    63   0.56750  1.0 1.0
   33    52    56    63  -0.07550 -1.0 2.0
   33    52    56    63   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    52    49   0.15000  1.0 3.0
   34    33    52    82   0.43200  1.0 3.0
   34    33    52    56   0.15000  1.0 3.0
   38    33    52    49   0.31000  1.0 1.0
   38    33    52    49   0.14700 -1.0 2.0
   38    33    52    49   0.07550  1.0 3.0
   38    33    52    82   0.21200  1.0 1.0
   38    33    52    82   0.16900 -1.0 2.0
   38    33    52    82  -1.15100  1.0 3.0
   38    33    52    56   0.34400  1.0 1.0
   38    33    52    56   0.09450 -1.0 2.0
   38    33    52    56   0.11100  1.0 3.0
   38    39    41    42  -0.18600  1.0 3.0
   38    39   -41    49   0.28850  1.0 1.0
   38    39   -41    49   2.61350 -1.0 2.0
   38    39   -41    49   0.78400  1.0 3.0
   38    39    43    44  -0.66100  1.0 1.0
   38    39    43    44   1.20850 -1.0 2.0
   38    39    43    44  -0.36000  1.0 3.0
   38    40    45    46   0.08050  1.0 3.0
   38    40    45    47   0.08050  1.0 3.0
   38    40    45    48   0.08050  1.0 3.0
   39    38    40    45  -2.26850  1.0 1.0
   39    38    40    45   3.39050 -1.0 2.0
   39    41    49    50   7.00000 -1.0 2.0
   39    41    49    52   7.00000 -1.0 2.0
   41    39    43    44  -0.66100  1.0 1.0
   41    39    43    44   1.20850 -1.0 2.0
   41    39    43    44  -0.36000  1.0 3.0
   41    49    50    51   0.00000  1.0 1.0
   41    49    50    53   0.09850  1.0 1.0
   41    49    50    53   0.15250 -1.0 2.0
   41    49    50    53  -0.50650  1.0 3.0
   41    49    50    59   0.90200  1.0 1.0
   41    49    50    59   0.57900 -1.0 2.0
   41    49    50    59  -0.62100  1.0 3.0
   41    49   -52    33   0.09850  1.0 1.0
   41    49   -52    33   0.15250 -1.0 2.0
   41    49   -52    33  -0.50650  1.0 3.0
   41    49    52    82   1.44450  1.0 1.0
   41    49    52    82   0.06600 -1.0 2.0
   41    49    52    82   0.29250  1.0 3.0
   41    49    52    56   0.09850  1.0 1.0
   41    49    52    56   0.15250 -1.0 2.0
   41    49    52    56  -0.50650  1.0 3.0
   42    41    49    50   7.00000 -1.0 2.0
   42    41    49    52   7.00000 -1.0 2.0
   49    50    53    54   0.15000  1.0 3.0
   49    50    53    55   0.15000  1.0 3.0
   49    50    53    60   0.34400  1.0 1.0
   49    50    53    60   0.09450 -1.0 2.0
   49    50    53    60   0.11100  1.0 3.0
   49    50    59    63  -0.60800  1.0 1.0
   49    50    59    63   1.10050 -1.0 2.0
   49    50    59    63   0.47000  1.0 3.0
   49    50    59    66  -0.60800  1.0 1.0
   49    50    59    66   1.10050 -1.0 2.0
   49    50    59    66   0.47000  1.0 3.0
   49    52    56    57   0.15000  1.0 3.0
   49    52    56    58   0.15000  1.0 3.0
   49    52   -56    63   0.34400  1.0 1.0
   49    52   -56    63   0.09450 -1.0 2.0
   49    52   -56    63   0.11100  1.0 3.0
   50    49    52    33   0.46850  1.0 1.0
   50    49    52    33   0.08550 -1.0 2.0
   50    49    52    33   0.09800  1.0 3.0
   50    49    52    82   0.09700  1.0 1.0
   50    49    52    82   0.15600 -1.0 2.0
   50    49    52    82  -0.50800  1.0 3.0
   50    49    52    56   0.46850  1.0 1.0
   50    49    52    56   0.08550 -1.0 2.0
   50    49    52    56   0.09800  1.0 3.0
   50    53    60    61   0.15000  1.0 3.0
   50    53    60    62   0.15000  1.0 3.0
   50    53    60    70  -0.03700  1.0 1.0
   50    53    60    70   0.37200 -1.0 2.0
   50    53    60    70  -0.47300  1.0 3.0
   50    59    66    67   0.28000  1.0 3.0
   50    59    66    68   0.28000  1.0 3.0
   50    59    66    69   0.28000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    60   0.15000  1.0 3.0
   51    50    59    63   0.28000  1.0 3.0
   51    50    59    66   0.28000  1.0 3.0
   53    50    59    63   0.23450  1.0 1.0
   53    50    59    63   0.02050 -1.0 2.0
   53    50    59    63   0.25250  1.0 3.0
   53    50    59    66   0.23450  1.0 1.0
   53    50    59    66   0.02050 -1.0 2.0
   53    50    59    66   0.25250  1.0 3.0
   53    60    70    71   0.04150 -1.0 2.0
   53    60    70    82   0.04150 -1.0 2.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    70   0.43200  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    70   0.43200  1.0 3.0
   60    70    71    72   3.62500 -1.0 2.0
   60    70    71    73   3.62500 -1.0 2.0
   60    70    82    76   3.62500 -1.0 2.0
   60    70    82    52   3.62500 -1.0 2.0
   61    60    70    71   0.00000  1.0 1.0
   61    60    70    82   0.00000  1.0 1.0
   62    60    70    71   0.00000  1.0 1.0
   62    60    70    82   0.00000  1.0 1.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   70    82    52    33   0.04150 -1.0 2.0
   70    82    52    49   0.18050 -1.0 2.0
   70    82    52    56   0.04150 -1.0 2.0
   71    70    82    76   3.62500 -1.0 2.0
   71    70    82    52   3.62500 -1.0 2.0
   71    73   -74    76   3.62500 -1.0 2.0
   71    73    74    77   3.62500 -1.0 2.0
   71    73    75    78   1.63200 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74    76    82   3.62500 -1.0 2.0
   73    74    76    83   3.62500 -1.0 2.0
   73    74    77    84   1.63200 -1.0 2.0
   73    75    78    79   0.08050  1.0 3.0
   73    75    78    80   0.08050  1.0 3.0
   73    75    78    81   0.08050  1.0 3.0
   74    73    75    78   1.63200 -1.0 2.0
   74    76   -82    70   3.62500 -1.0 2.0
   74    76    82    52   3.62500 -1.0 2.0
   74    76    83    88   1.63200 -1.0 2.0
   74    77    84    85   0.08050  1.0 3.0
   74    77    84    86   0.08050  1.0 3.0
   74    77    84    87   0.08050  1.0 3.0
   76    74    77    84   1.63200 -1.0 2.0
   76    82    52    33   0.04150 -1.0 2.0
   76    82    52    49   0.18050 -1.0 2.0
   76    82    52    56   0.04150 -1.0 2.0
   76    83    88    89   0.08050  1.0 3.0
   76    83    88    90   0.08050  1.0 3.0
   76    83    88    91   0.08050  1.0 3.0
   82    70    71    72   3.62500 -1.0 2.0
   82    70   -71    73   3.62500 -1.0 2.0
   82    76    83    88   1.63200 -1.0 2.0
   82    52    56    57   0.43200  1.0 3.0
   82    52    56    58   0.43200  1.0 3.0
   82    52    56    63  -0.03700  1.0 1.0
   82    52    56    63   0.37200 -1.0 2.0
   82    52    56    63  -0.47300  1.0 3.0
   52    33   -38    39   0.09850  1.0 1.0
   52    33   -38    39   0.15250 -1.0 2.0
   52    33   -38    39  -0.50650  1.0 3.0
   52    33    38    40   0.09700  1.0 1.0
   52    33    38    40   0.15600 -1.0 2.0
   52    33    38    40  -0.50800  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    53   0.46850  1.0 1.0
   52    49    50    53   0.08550 -1.0 2.0
   52    49    50    53   0.09800  1.0 3.0
   52    49    50    59   0.52100  1.0 1.0
   52    49    50    59  -0.20350 -1.0 2.0
   52    49    50    59   0.29750  1.0 3.0
   52    56    63    64   0.15000  1.0 3.0
   52    56    63    65   0.15000  1.0 3.0
   52    56   -63    59   1.53400  1.0 1.0
   52    56   -63    59  -0.09950 -1.0 2.0
   52    56   -63    59   0.05700  1.0 3.0
   56    63   -59    50   0.23450  1.0 1.0
   56    63   -59    50   0.02050 -1.0 2.0
   56    63   -59    50   0.25250  1.0 3.0
   56    63    59    66   0.58650  1.0 1.0
   56    63    59    66   0.12600 -1.0 2.0
   56    63    59    66   0.33350  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    59   0.15000  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    59   0.15000  1.0 3.0
   63    59    66    67   0.28000  1.0 3.0
   63    59    66    68   0.28000  1.0 3.0
   63    59    66    69   0.28000  1.0 3.0
   64    63    59    50   0.28000  1.0 3.0
   64    63    59    66   0.28000  1.0 3.0
   65    63    59    50   0.28000  1.0 3.0
   65    63    59    66   0.28000  1.0 3.0
   59    50    53    54   0.15000  1.0 3.0
   59    50    53    55   0.15000  1.0 3.0
   59    50    53    60   1.53400  1.0 1.0
   59    50    53    60  -0.09950 -1.0 2.0
   59    50    53    60   0.05700  1.0 3.0
   83    76    82    70   3.62500 -1.0 2.0
   83    76    82    52   3.62500 -1.0 2.0
   77    74    76    82   3.62500 -1.0 2.0
   77    74    76    83   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   43    39    41    42   0.00000  1.0 1.0
   43    39    41    49   0.50950  1.0 1.0
   43    39    41    49   0.56650 -1.0 2.0
   43    39    41    49   0.34050  1.0 3.0
   40    38    39    41   7.00000 -1.0 2.0
   40    38    39    43   7.00000 -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
   33    40    38    39   1.10000 -1.0 2.0
   41    43    39    38   1.10000 -1.0 2.0
   39    42    41    49   1.10000 -1.0 2.0
   50    52    49    41   1.10000 -1.0 2.0
   71    82    70    60   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   76    77    74    73   4.00000 -1.0 2.0
   82    83    76    74   4.00000 -1.0 2.0
   76    52    82    70   4.00000 -1.0 2.0
END
