* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    164    268     478
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02042   106.66809   -15.43845
    3     1 S   H    _H1_     3     1.02154    56.71989    86.34803
    4     1 S   H    _H2_     4     1.02100    55.39472  -116.97456
    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     1.08519   110.61667    58.74867
   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   _C17    36     1.86594    96.79580   161.85718
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C15    37     1.54791   107.03943   160.02013
   38    33 S   CT   _C19    73     1.54321   106.94097    39.45007
   39    38 S   HC   _H14    74     1.07675   107.93956    37.14624
   40    38 S   HC   _H15    75     1.07644   108.18430   -83.51344
   41    37 S   N4   _N5_    38     1.36557   118.18015   104.01108
   42    37 S   CMA  _C16    70     1.34674   122.28348   -72.09456
   43    42 S   OM   _O35    71     1.38567   118.60239  -179.83687
   44    42 S   OM   _O36    72     1.38656   118.57356     0.14265
   45    38 S   NAP  _N6_    76     1.41859   109.19219   156.73698
   46    41 S   C4   _C14    39     1.35453   137.65182  -162.24387
   47    46 S   O    _O34    40     1.20866   134.40702    -3.63367
   48    41 S   C4T  _C13    43     1.45054   125.74508    22.97083
   49    48 S   HC   _H5_    44     1.09707   112.49873    74.42767
   50    45 S   CA   _C20    77     1.42399   121.97208  -118.22824
   51    50 S   HA   _H16    78     1.08458   116.75621    -0.08393
   52    46 S   C4T  _C12    41     1.55335    89.62343   172.64723
   53    52 S   HC   _H4_    42     1.09532   112.91573   124.51719
   54    48 S   S    _S1_    45     1.80313   110.22910   -54.94966
   55    50 S   CA   _C21    79     1.34275   122.30788  -179.96044
   56    55 S   HA   _H17    80     1.08434   120.08368   179.94766
   57    33 S   CT   _C18    46     1.55645   106.36247   -74.59248
   58    57 S   HC   _H12    47     1.09665   111.80148    45.32255
   59    57 S   HC   _H13    48     1.09792   109.70500   162.55400
   60    52 S   N    _N4_    49     1.46290   113.42276  -108.39464
   61    60 S   H    _H11    50     1.02306   119.75927   112.12739
   62    55 S   CA   _C22    81     1.45224   121.32386    -0.08393
   63    60 S   C    _C11    51     1.39514   122.88555   -68.18748
   64    63 S   O    _O33    52     1.22906   124.03526    -0.06853
   65    62 S   CA   _C23    82     1.34399   123.63195     0.07913
   66    65 S   HA   _H18    83     1.08370   123.74193   179.98022
   67    62 S   C    _C25    86     1.46649   119.85581  -179.98022
   68    67 S   O    _O37    87     1.22783   121.71630   179.98022
   69    63 S   CT   _C10    53     1.51702   112.65303  -179.81548
   70    69 S   HC   _H3_    54     1.09771   108.48037   -30.22370
   71    45 S   CA   _C24    84     1.58124   121.50176    61.73997
   72    71 S   HA   _H19    85     1.09639   123.00593     0.01978
   73    67 S   N    _N7_    88     1.37450   113.38474     0.06256
   74    73 S   H    _H20    89     1.01491   118.62435    -0.02798
   75    73 S   H    _H21    90     1.01475   122.71743   179.94766
   76    69 S   CA   _C7_    55     1.50878   113.32025    93.34637
   77    69 S   SY   _S2_    66     1.76775   111.64065  -145.46766
   78    77 S   OY   _O40    67     1.46162   103.03766   -64.67183
   79    77 S   OY   _O38    68     1.46121   103.07947    55.33928
   80    77 S   OY   _O39    69     1.46114   103.06180   175.33133
   81    76 S   CA   _C6_    56     1.39497   120.01204  -149.98971
   82    81 S   HA   _H8_    57     1.08650   120.53947     0.04846
   83    81 S   CA   _C5_    58     1.39508   119.99568  -179.96574
   84    83 S   HA   _H7_    59     1.08659   120.00930   179.98022
   85    83 S   CA   _C4_    60     1.39511   120.00623    -0.00000
   86    85 S   HA   _H6_    61     1.08614   119.99292   179.88131
   87    85 S   CA   _C9_    62     1.39529   119.98445     0.06256
   88    87 S   HA   _H10    63     1.08574   120.02893   179.93744
   89    76 S   CA   _C8_    64     1.39499   119.97156    30.10680
   90    89 S   HA   _H9_    65     1.08651   120.50291    -0.09065
  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  12   5   4   3
  17   2   1   1  17  15   5   4  12   5   1   1  10   9   4  10
   5   8   4   8   4   4   8   3   2   1   1   7   3   9  10   4
   6   3   5   3  12   7   1   1   2   1   1  13   5   2   1   1
   8   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    57    58    59    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    57    58    59    42    43    44    38    39    40    45    50    71  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    57    58    59    42    43    44    38    39    40    45  
   39    40    45    50    51    55    65    71    72    41    42    54    57    58    59  
   40    45    50    71    57  
   45    50    71    57  
   46    47    52    53    48    49    54    57    60    42    43    44  
   43    44    46    48    57  
   44  
    0  
   50    51    55    56    62    65    66    71    72    57  
   47    52    53    48    49    54    60    61    63  
   52    53    48    60  
   49    54    57    58    59    60    61    63    52    53  
   54    57    60    52    53  
   51    55    56    62    65    71    72    67  
   55    56    62    71  
   53    54    57    60    61    63    64    69  
   54    60    61    63  
   57    58    59    60  
   56    62    65    66    71    67    68    73  
   62    65    67  
   58    59  
   59  
    0  
   61    63    64    69    70    76    77  
   63    64    69  
   65    66    71    72    67    68    73    74    75  
   64    69    70    76    81    89    77    78    79    80  
   69    70    76    77  
   66    71    72    67    68    73  
   71    72    67  
   68    73    74    75    71  
   73    74    75  
   70    76    81    82    83    87    89    90    77    78    79    80  
   76    81    89    77    78    79    80  
   72  
    0  
   74    75  
   75  
    0  
   81    82    83    84    85    87    88    89    90    77    78    79    80  
   78    79    80    81    89  
   79    80  
   80  
    0  
   82    83    84    85    86    87    89    90  
   83    84    85    89  
   84    85    86    87    88    89  
   85    86    87  
   86    87    88    89    90  
   87    88    89  
   88    89    90  
   89    90  
   90  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.002500   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   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   67   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   69   3.5000   0.0660  -0.234400   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   74   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   75   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.2500   1.453700   2.0025   1.7750   0.025682759  -1.666211680
   78   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   79   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   80   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    60   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   434.000  1.010
   60    63   490.000  1.335
   63    64   570.000  1.229
   63    69   317.000  1.522
   69    70   340.000  1.090
   69    76   317.000  1.510
   69    77   205.000  1.840
   76    81   469.000  1.400
   76    89   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    90   367.000  1.080
   77    78   735.000  1.471
   77    79   735.000  1.471
   77    80   735.000  1.471
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   280.000  1.457
   45    50   485.000  1.342
   45    71   485.000  1.342
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   55    62   469.000  1.400
   62    65   469.000  1.400
   62    67   400.000  1.490
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   367.000  1.080
   67    68   570.000  1.229
   67    73   490.000  1.335
   73    74   434.000  1.010
   73    75   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    57    54    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    75.00000  109.47200
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    60    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    60    61    38.00000  118.40000
   52    60    63    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    57    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    52    53    50.00000  112.01000
   60    52    48    80.00000  110.05700
   60    63    64    80.00000  122.90000
   60    63    69    70.00000  116.60000
   63    60    61    35.00000  119.80000
   63    69    70    35.00000  109.50000
   63    69    76    70.00000  109.44300
   63    69    77    75.00000  108.36600
   69    63    64    80.00000  120.40000
   69    76    81    70.00000  120.00000
   69    76    89    70.00000  120.00000
   69    77    78   100.00000  108.55000
   69    77    79   100.00000  108.55000
   69    77    80   100.00000  108.55000
   76    69    70    35.00000  109.50000
   76    81    82    35.00000  120.00000
   76    81    83    63.00000  120.00000
   76    89    87    63.00000  120.00000
   76    89    90    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    35.00000  120.00000
   83    85    87    63.00000  120.00000
   85    83    84    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    89    63.00000  120.00000
   87    85    86    35.00000  120.00000
   87    89    90    35.00000  120.00000
   89    76    81    63.00000  120.00000
   89    87    88    35.00000  120.00000
   77    69    70    45.00000  108.39800
   77    69    76    75.00000  108.84000
   79    77    78   115.00000  120.17200
   80    77    78   115.00000  120.17200
   80    77    79   115.00000  120.17200
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    57    58.35000  112.70000
   38    45    50    70.00000  119.18700
   38    45    71    70.00000  119.18700
   40    38    39    33.00000  107.80000
   45    38    39    50.00000  106.41000
   45    38    40    50.00000  106.41000
   45    50    51    45.00000  112.84900
   45    50    55    70.00000  119.29800
   45    71    65    70.00000  119.29800
   45    71    72    45.00000  112.84900
   50    55    56    35.00000  120.00000
   50    55    62    63.00000  120.00000
   55    50    51    35.00000  120.00000
   55    62    65    63.00000  120.00000
   55    62    67    85.00000  120.00000
   62    55    56    35.00000  120.00000
   62    65    66    35.00000  120.00000
   62    65    71    63.00000  120.00000
   62    67    68    80.00000  120.40000
   62    67    73    75.00000  113.92100
   65    71    72    35.00000  120.00000
   71    45    50    70.00000  123.81700
   71    65    66    35.00000  120.00000
   67    62    65    85.00000  120.00000
   67    73    74    35.00000  119.80000
   67    73    75    35.00000  119.80000
   73    67    68    80.00000  122.90000
   75    73    74    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    54   0.56750  1.0 1.0
   29    33    57    54  -0.07550 -1.0 2.0
   29    33    57    54   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50   0.00000  1.0 1.0
   33    38    45    71   0.00000  1.0 1.0
   37    33    57    54   0.56750  1.0 1.0
   37    33    57    54  -0.07550 -1.0 2.0
   37    33    57    54   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.56750  1.0 1.0
   37    33    38    45  -0.07550 -1.0 2.0
   37    33    38    45   0.20000  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    60   0.00000  1.0 1.0
   41    48    54    57   0.01700  1.0 1.0
   41    48    54    57  -0.23550 -1.0 2.0
   41    48    54    57   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    60    61   0.00000  1.0 1.0
   46    52    60    63  -0.42300  1.0 1.0
   46    52    60    63  -0.07000 -1.0 2.0
   46    52    60    63   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    60   0.30150 -1.0 2.0
   52    48    54    57   0.25150  1.0 1.0
   52    48    54    57  -1.17200 -1.0 2.0
   52    48    54    57   0.53050  1.0 3.0
   52    60    63    64   3.04450 -1.0 2.0
   52    60    63    69   1.49850  1.0 1.0
   52    60    63    69   1.53950 -1.0 2.0
   53    52   -48    41   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    60    61   0.00000  1.0 1.0
   53    52    60    63   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    60    61   0.00000  1.0 1.0
   48    52    60    63  -0.43950  1.0 1.0
   48    52    60    63  -0.08100 -1.0 2.0
   48    52    60    63   0.03350  1.0 3.0
   48    54   -57    33  -0.25000 -1.0 2.0
   48    54   -57    33  -0.01800  1.0 3.0
   48    54    57    58   0.32350  1.0 3.0
   48    54    57    59   0.32350  1.0 3.0
   49    48    54    57   0.00000  1.0 1.0
   57    33   -37    41  -0.93550  1.0 1.0
   57    33   -37    41   0.38900 -1.0 2.0
   57    33   -37    41   0.16950  1.0 3.0
   57    33    37    42   0.09850  1.0 1.0
   57    33    37    42   0.15250 -1.0 2.0
   57    33    37    42  -0.50650  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33    38    40   0.15000  1.0 3.0
   57    33    38    45   0.56750  1.0 1.0
   57    33    38    45  -0.07550 -1.0 2.0
   57    33    38    45   0.20000  1.0 3.0
   60    52   -48    41   2.20050  1.0 1.0
   60    52   -48    41   0.63450 -1.0 2.0
   60    52   -48    41  -0.91300  1.0 3.0
   60    52    48    49   0.15000  1.0 3.0
   60    52    48    54   0.00000  1.0 1.0
   60    63    69    70   0.00000  1.0 1.0
   60    63    69    76   0.00000  1.0 1.0
   60    63    69    77   0.00000  1.0 1.0
   61    60    63    64   2.45000 -1.0 2.0
   61    60    63    69   2.45000 -1.0 2.0
   63    69    76    81   0.04300 -1.0 2.0
   63    69    76    89   0.04300 -1.0 2.0
   63    69    77    78  -0.67400  1.0 1.0
   63    69    77    78   0.68950 -1.0 2.0
   63    69    77    78  -0.11550  1.0 3.0
   63    69    77    79  -0.67400  1.0 1.0
   63    69    77    79   0.68950 -1.0 2.0
   63    69    77    79  -0.11550  1.0 3.0
   63    69    77    80  -0.67400  1.0 1.0
   63    69    77    80   0.68950 -1.0 2.0
   63    69    77    80  -0.11550  1.0 3.0
   64    63    69    70   0.00000  1.0 1.0
   64    63    69    76   0.30150 -1.0 2.0
   64    63    69    77   0.30150 -1.0 2.0
   69    76    81    82   3.62500 -1.0 2.0
   69    76    81    83   3.62500 -1.0 2.0
   69    76    89    87   3.62500 -1.0 2.0
   69    76    89    90   3.62500 -1.0 2.0
   70    69    76    81   0.00000  1.0 1.0
   70    69    76    89   0.00000  1.0 1.0
   70    69    77    78   0.26000  1.0 3.0
   70    69    77    79   0.26000  1.0 3.0
   70    69    77    80   0.26000  1.0 3.0
   76    69    77    78  -0.67400  1.0 1.0
   76    69    77    78   0.68950 -1.0 2.0
   76    69    77    78  -0.11550  1.0 3.0
   76    69    77    79  -0.67400  1.0 1.0
   76    69    77    79   0.68950 -1.0 2.0
   76    69    77    79  -0.11550  1.0 3.0
   76    69    77    80  -0.67400  1.0 1.0
   76    69    77    80   0.68950 -1.0 2.0
   76    69    77    80  -0.11550  1.0 3.0
   76    81    83    84   3.62500 -1.0 2.0
   76    81    83    85   3.62500 -1.0 2.0
   81    76    89    87   3.62500 -1.0 2.0
   81    76    89    90   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   81    83   -85    87   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   83    85    87    88   3.62500 -1.0 2.0
   83    85    87    89   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    87   -89    76   3.62500 -1.0 2.0
   85    87    89    90   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   86    85    87    89   3.62500 -1.0 2.0
   88    87    89    76   3.62500 -1.0 2.0
   88    87    89    90   3.62500 -1.0 2.0
   89    76    81    82   3.62500 -1.0 2.0
   89    76   -81    83   3.62500 -1.0 2.0
   77    69    76    81   0.04300 -1.0 2.0
   77    69    76    89   0.04300 -1.0 2.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    57    54   0.44750  1.0 1.0
   38    33    57    54  -0.17800 -1.0 2.0
   38    33    57    54   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    45    50    51   3.62500 -1.0 2.0
   38    45    50    55   3.62500 -1.0 2.0
   38    45    71    65   3.62500 -1.0 2.0
   38    45    71    72   3.62500 -1.0 2.0
   39    38    45    50   0.00000  1.0 1.0
   39    38    45    71   0.00000  1.0 1.0
   40    38    45    50   0.00000  1.0 1.0
   40    38    45    71   0.00000  1.0 1.0
   45    50    55    56   3.62500 -1.0 2.0
   45    50    55    62   3.62500 -1.0 2.0
   50    45    71    65   3.62500 -1.0 2.0
   50    45    71    72   3.62500 -1.0 2.0
   50    55   -62    65   3.62500 -1.0 2.0
   50    55    62    67   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    62   3.62500 -1.0 2.0
   55    62    65    66   3.62500 -1.0 2.0
   55    62    65    71   3.62500 -1.0 2.0
   55    62    67    68   1.05000 -1.0 2.0
   55    62    67    73   0.75700  1.0 1.0
   55    62    67    73   0.34650 -1.0 2.0
   55    62    67    73   0.33000  1.0 3.0
   55    62    67    73  -0.28100 -1.0 4.0
   56    55    62    65   3.62500 -1.0 2.0
   56    55    62    67   3.62500 -1.0 2.0
   62    65   -71    45   3.62500 -1.0 2.0
   62    65    71    72   3.62500 -1.0 2.0
   62    67    73    74   2.56700 -1.0 2.0
   62    67    73    75   2.56700 -1.0 2.0
   65    62    67    68   1.05000 -1.0 2.0
   65    62    67    73   0.75700  1.0 1.0
   65    62    67    73   0.34650 -1.0 2.0
   65    62    67    73   0.33000  1.0 3.0
   65    62    67    73  -0.28100 -1.0 4.0
   66    65    71    45   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   71    45    50    51   3.62500 -1.0 2.0
   71    45   -50    55   3.62500 -1.0 2.0
   67    62    65    66   3.62500 -1.0 2.0
   67    62    65    71   3.62500 -1.0 2.0
   68    67    73    74   2.45000 -1.0 2.0
   68    67    73    75   2.45000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   61    63    60    52   1.00000 -1.0 2.0
   60    69    63    64  10.50000 -1.0 2.0
   81    89    76    69   4.00000 -1.0 2.0
   83    82    81    76   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   87    86    85    83   1.10000 -1.0 2.0
   89    88    87    85   1.10000 -1.0 2.0
   87    90    89    76   1.10000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   50    71    45    38   4.00000 -1.0 2.0
   55    51    50    45   1.10000 -1.0 2.0
   62    56    55    50   1.10000 -1.0 2.0
   65    67    62    55   4.00000 -1.0 2.0
   71    66    65    62   1.10000 -1.0 2.0
   65    72    71    45   1.10000 -1.0 2.0
   62    73    67    68  10.50000 -1.0 2.0
   75    67    73    74   1.00000 -1.0 2.0
END
