* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    169    262     501
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02009    94.45964    32.58469
    3     1 S   H    _H1_     3     1.02078    33.62726   150.17739
    4     1 S   H    _H2_     4     1.02121    85.62377   -75.87770
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.82475    98.06479   161.84726
   34    33 S   HC   _H3_    37     1.09503   106.95417   -39.41172
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C6_    38     1.50891   109.13080  -160.01771
   39    38 S   HC   _H28    39     1.08962   115.36860   -60.95362
   40    33 S   CT   _C12    58     1.52325   109.78211    78.17266
   41    40 S   HC   _H34    59     1.09856   107.88202   -59.27586
   42    38 S   CMA  _C7_    40     1.35222   125.81658   117.83825
   43    42 S   OM   _O21    41     1.26348   131.24636  -178.29854
   44    40 S   CT   _C11    60     1.53507   112.94607   177.02685
   45    44 S   HC   _H33    61     1.09649   110.26078   -42.55732
   46    40 S   CT   _C14    72     1.52920   113.04871    61.98566
   47    46 S   HC   _H36    73     1.09705   111.50978    43.14120
   48    42 S   CT   _C17    42     1.53293   116.94152    -0.02798
   49    48 S   HC   _H42    43     1.10019   109.58237    30.07268
   50    48 S   HC   _H43    44     1.09884   110.45855   144.04551
   51    44 S   CT   _C9_    62     1.50986   115.27278    85.68973
   52    51 S   HC   _H29    63     1.09350   112.92500   -35.52056
   53    51 S   HC   _H30    64     1.09551   110.40510  -157.96449
   54    46 S   OH   _O25    74     1.41626   111.99605   -78.93836
   55    54 S   HO   _H56    75     0.97234   107.09937  -175.75578
   56    48 S   CT   _C21    45     1.54100   115.24526   -92.40209
   57    56 S   HC   _H50    46     1.09815   109.34076   -59.98686
   58    56 S   HC   _H51    47     1.09693   108.33163    55.03308
   59    51 S   CM   _C4_    65     1.49179   101.37400    86.12746
   60    56 S   CT   _C22    48     1.53230   115.48717   177.49986
   61    60 S   HC   _H52    49     1.09756   107.92614   180.00000
   62    60 S   HC   _H53    50     1.09570   110.35162    64.28633
   63    59 S   OS   _O23    66     1.38711   113.43313    16.82323
   64    59 S   CM   _C5_    76     1.33673   125.03273  -160.26954
   65    64 S   HC   _H27    77     1.08729   118.72358  -179.42836
   66    60 S   CT   _C19    51     1.52959   113.34251   -59.55571
   67    66 S   HC   _H46    52     1.09688   109.75673   -58.98790
   68    66 S   HC   _H47    53     1.09373   110.61204    59.11796
   69    44 S   CT   _C13    67     1.52507   103.66572  -162.03648
   70    69 S   HC   _H35    68     1.09582   112.67162   149.28529
   71    64 S   CT   _C16    78     1.50107   123.97825    -0.02798
   72    71 S   HC   _H40    79     1.09686   110.66624   -29.99504
   73    71 S   HC   _H41    80     1.09534   108.18274  -146.73125
   74    66 S   CT   _C15    54     1.52039   111.36027  -179.96574
   75    74 S   HC   _H37    55     1.09468   111.08726   -58.66430
   76    74 S   HC   _H38    56     1.09497   110.96110  -179.18339
   77    74 S   HC   _H39    57     1.09438   110.25127    61.07361
   78    69 S   CT   _C10    69     1.52982   106.60349    25.67707
   79    78 S   HC   _H31    70     1.09578   110.76610   117.48863
   80    78 S   HC   _H32    71     1.09666   112.05807  -122.88962
   81    71 S   CT   _C20    81     1.53265   111.26528    92.15643
   82    81 S   HC   _H48    82     1.09765   109.22230   -59.97695
   83    81 S   HC   _H49    83     1.09724   109.69177    56.69083
   84    81 S   CT   _C18    84     1.52600   112.45076   179.65170
   85    84 S   HC   _H44    85     1.09590   110.49874    59.74729
   86    84 S   HC   _H45    86     1.09646   110.79944   -57.69895
   87    84 S   C    _C8_    87     1.50795   112.41090  -179.14958
   88    87 S   O    _O22    88     1.22355   124.00540    -2.42632
   89    87 S   OH   _O24    89     1.35678   112.58748   177.83861
   90    89 S   HO   _H55    90     0.98172   115.08353   179.74899
  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
  16   7   2   1   1  11   4  18   8   8   4  15   9  10   6   9
   5   4  10   5   4   5   1   9   5   4  10   9   5   4   8   9
   4   6   5   4   4   3   9   5   4   3   2   1   1   2   1   1
   8   5   4   6   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    40    41    44    45    51    69    78    46    47    54  
   38    39    42    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    49    50    56    40    41    44    46  
   42    43    48    40  
   41    44    45    51    52    53    59    63    69    70    78    79    80    46    47    54    55    42  
   44    45    51    69    78    46    47    54  
   43    48    49    50    56    57    58    60  
   48    49    50    56  
   45    51    52    53    59    63    69    70    78    79    80    46    47    54    64  
   51    52    53    59    63    69    70    78    46  
   47    54    55    51    63    69    70    78    79    80  
   54    55    69    78    79    80  
   49    50    56    57    58    60    61    62    66  
   50    56    57    58    60  
   56    57    58    60  
   52    53    59    63    69    70    78    64    65    71  
   53    59    63    69    64  
   59    63    69    64  
   55    69    78    79    80  
   78  
   57    58    60    61    62    66    67    68    74  
   58    60    61    62    66  
   60    61    62    66  
   63    69    70    78    64    65    71    72    73    81  
   61    62    66    67    68    74    75    76    77  
   62    66    67    68    74  
   66    67    68    74  
   69    70    78    79    80    64    65    71  
   65    71    72    73    81    82    83    84    69  
   71    72    73    81  
   67    68    74    75    76    77  
   68    74    75    76    77  
   74    75    76    77  
   70    78    79    80  
   78    79    80  
   72    73    81    82    83    84    85    86    87  
   73    81    82    83    84  
   81    82    83    84  
   75    76    77  
   76    77  
   77  
    0  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89    90  
   86    87    88    89  
   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   0.107500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.120000   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   89   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.450000   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   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    69   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   317.000  1.510
   59    63   440.000  1.360
   59    64   549.000  1.340
   63    69   320.000  1.410
   69    70   340.000  1.090
   69    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    46   268.000  1.529
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    55   553.000  0.945
   64    65   340.000  1.080
   64    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   317.000  1.522
   87    88   570.000  1.229
   87    89   450.000  1.364
   89    90   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    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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    46    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    48    49    45.00000  110.52000
   42    48    50    45.00000  110.52000
   42    48    56    70.00000  112.02700
   48    42    43    85.00000  112.85300
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    60    58.35000  112.70000
   50    48    49    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    50    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    66    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    74    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    77    37.50000  110.70000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    51    58.35000  112.70000
   40    44    69    58.35000  112.70000
   40    46    78    58.35000  112.70000
   40    46    47    37.50000  110.70000
   40    46    54    50.00000  109.50000
   44    40    41    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    59    70.00000  112.02700
   44    69    63    50.00000  109.50000
   44    69    70    37.50000  110.70000
   44    69    78    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    59    63    85.00000  112.85300
   51    59    64    70.00000  124.00000
   53    51    52    33.00000  107.80000
   59    51    52    35.00000  109.50000
   59    51    53    35.00000  109.50000
   59    63    69    90.00000  111.18400
   59    64    65    35.00000  120.00000
   59    64    71    70.00000  124.00000
   63    69    70    35.00000  109.50000
   63    69    78    50.00000  109.50000
   69    44    45    37.50000  110.70000
   69    44    51    58.35000  112.70000
   69    78    79    37.50000  110.70000
   69    78    80    37.50000  110.70000
   69    78    46    58.35000  112.70000
   78    69    70    37.50000  110.70000
   78    46    47    37.50000  110.70000
   78    46    54    50.00000  109.50000
   80    78    79    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    78    79    37.50000  110.70000
   46    78    80    37.50000  110.70000
   46    54    55    55.00000  108.50000
   54    46    47    35.00000  109.50000
   64    59    63    80.00000  120.01400
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    81    70.00000  112.02700
   71    64    65    35.00000  117.00000
   71    81    82    37.50000  110.70000
   71    81    83    37.50000  110.70000
   71    81    84    58.35000  112.70000
   73    71    72    33.00000  107.80000
   81    71    72    37.50000  110.70000
   81    71    73    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    63.00000  111.10000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    80.00000  120.40000
   84    87    89    70.00000  108.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   87    89    90    35.00000  113.00000
   89    87    88   100.00000  123.32000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    51   0.56750  1.0 1.0
   33    40    44    51  -0.07550 -1.0 2.0
   33    40    44    51   0.20000  1.0 3.0
   33    40    44    69   0.56750  1.0 1.0
   33    40    44    69  -0.07550 -1.0 2.0
   33    40    44    69   0.20000  1.0 3.0
   33    40    46    78   0.56750  1.0 1.0
   33    40    46    78  -0.07550 -1.0 2.0
   33    40    46    78   0.20000  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    54   0.86500  1.0 1.0
   33    40    46    54  -0.17500 -1.0 2.0
   33    40    46    54   0.20800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    46   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    46   0.34400  1.0 1.0
   38    33    40    46   0.09450 -1.0 2.0
   38    33    40    46   0.11100  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.00000  1.0 1.0
   38    42    48    56   0.09850  1.0 1.0
   38    42    48    56   0.15250 -1.0 2.0
   38    42    48    56  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    48    56    57   0.15000  1.0 3.0
   42    48    56    58   0.15000  1.0 3.0
   42    48    56    60   0.34400  1.0 1.0
   42    48    56    60   0.09450 -1.0 2.0
   42    48    56    60   0.11100  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    56   0.09700  1.0 1.0
   43    42    48    56   0.15600 -1.0 2.0
   43    42    48    56  -0.50800  1.0 3.0
   48    56    60    61   0.15000  1.0 3.0
   48    56    60    62   0.15000  1.0 3.0
   48    56    60    66   0.56750  1.0 1.0
   48    56    60    66  -0.07550 -1.0 2.0
   48    56    60    66   0.20000  1.0 3.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    58   0.15000  1.0 3.0
   49    48    56    60   0.15000  1.0 3.0
   50    48    56    57   0.15000  1.0 3.0
   50    48    56    58   0.15000  1.0 3.0
   50    48    56    60   0.15000  1.0 3.0
   56    60    66    67   0.15000  1.0 3.0
   56    60    66    68   0.15000  1.0 3.0
   56    60    66    74   0.56750  1.0 1.0
   56    60    66    74  -0.07550 -1.0 2.0
   56    60    66    74   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    66   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    66   0.15000  1.0 3.0
   60    66    74    75   0.15000  1.0 3.0
   60    66    74    76   0.15000  1.0 3.0
   60    66    74    77   0.15000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    74   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    74   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    77   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    77   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    59   0.34400  1.0 1.0
   40    44    51    59   0.09450 -1.0 2.0
   40    44    51    59   0.11100  1.0 3.0
   40    44    69    63   0.62750  1.0 1.0
   40    44    69    63  -0.30950 -1.0 2.0
   40    44    69    63   0.27300  1.0 3.0
   40    44    69    70   0.15000  1.0 3.0
   40    44   -69    78   0.56750  1.0 1.0
   40    44   -69    78  -0.07550 -1.0 2.0
   40    44   -69    78   0.20000  1.0 3.0
   40    46    54    55  -0.11600  1.0 1.0
   40    46    54    55  -0.09450 -1.0 2.0
   40    46    54    55   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    44    69   0.15000  1.0 3.0
   41    40    46    78   0.15000  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    54   0.23400  1.0 3.0
   44    40   -46    78   0.56750  1.0 1.0
   44    40   -46    78  -0.07550 -1.0 2.0
   44    40   -46    78   0.20000  1.0 3.0
   44    40    46    47   0.15000  1.0 3.0
   44    40    46    54   0.86500  1.0 1.0
   44    40    46    54  -0.17500 -1.0 2.0
   44    40    46    54   0.20800  1.0 3.0
   44    51   -59    63   0.09700  1.0 1.0
   44    51   -59    63   0.15600 -1.0 2.0
   44    51   -59    63  -0.50800  1.0 3.0
   44    51    59    64   0.09850  1.0 1.0
   44    51    59    64   0.15250 -1.0 2.0
   44    51    59    64  -0.50650  1.0 3.0
   44    69    78    79   0.15000  1.0 3.0
   44    69    78    80   0.15000  1.0 3.0
   44    69   -78    46   0.56750  1.0 1.0
   44    69   -78    46  -0.07550 -1.0 2.0
   44    69   -78    46   0.20000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    59   0.15000  1.0 3.0
   45    44    69    63   0.23400  1.0 3.0
   45    44    69    70   0.15000  1.0 3.0
   45    44    69    78   0.15000  1.0 3.0
   51    44   -69    63   0.62750  1.0 1.0
   51    44   -69    63  -0.30950 -1.0 2.0
   51    44   -69    63   0.27300  1.0 3.0
   51    44    69    70   0.15000  1.0 3.0
   51    44    69    78   0.56750  1.0 1.0
   51    44    69    78  -0.07550 -1.0 2.0
   51    44    69    78   0.20000  1.0 3.0
   51    59   -63    69   2.00000 -1.0 2.0
   51    59    64    65   7.00000 -1.0 2.0
   51    59    64    71   7.00000 -1.0 2.0
   52    51    59    63   0.00000  1.0 1.0
   52    51    59    64   0.00000  1.0 1.0
   53    51    59    63   0.00000  1.0 1.0
   53    51    59    64   0.00000  1.0 1.0
   59    63   -69    44  -0.46850  1.0 1.0
   59    63   -69    44   0.09300 -1.0 2.0
   59    63   -69    44  -0.12850  1.0 3.0
   59    63    69    70   0.08050  1.0 3.0
   59    63    69    78  -0.46850  1.0 1.0
   59    63    69    78   0.09300 -1.0 2.0
   59    63    69    78  -0.12850  1.0 3.0
   59    64    71    72   0.00000  1.0 1.0
   59    64    71    73   0.00000  1.0 1.0
   59    64    71    81   0.09850  1.0 1.0
   59    64    71    81   0.15250 -1.0 2.0
   59    64    71    81  -0.50650  1.0 3.0
   63    59    64    65   7.00000 -1.0 2.0
   63    59    64    71   7.00000 -1.0 2.0
   63    69    78    79   0.23400  1.0 3.0
   63    69    78    80   0.23400  1.0 3.0
   63    69    78    46   0.62750  1.0 1.0
   63    69    78    46  -0.30950 -1.0 2.0
   63    69    78    46   0.27300  1.0 3.0
   69    44    51    52   0.15000  1.0 3.0
   69    44    51    53   0.15000  1.0 3.0
   69    44   -51    59   0.34400  1.0 1.0
   69    44   -51    59   0.09450 -1.0 2.0
   69    44   -51    59   0.11100  1.0 3.0
   69    78   -46    40   0.56750  1.0 1.0
   69    78   -46    40  -0.07550 -1.0 2.0
   69    78   -46    40   0.20000  1.0 3.0
   69    78    46    47   0.15000  1.0 3.0
   69    78    46    54   0.86500  1.0 1.0
   69    78    46    54  -0.17500 -1.0 2.0
   69    78    46    54   0.20800  1.0 3.0
   70    69    78    79   0.15000  1.0 3.0
   70    69    78    80   0.15000  1.0 3.0
   70    69    78    46   0.15000  1.0 3.0
   78    46    54    55  -0.11600  1.0 1.0
   78    46    54    55  -0.09450 -1.0 2.0
   78    46    54    55   0.21250  1.0 3.0
   79    78    46    40   0.15000  1.0 3.0
   79    78    46    47   0.15000  1.0 3.0
   79    78    46    54   0.23400  1.0 3.0
   80    78    46    40   0.15000  1.0 3.0
   80    78    46    47   0.15000  1.0 3.0
   80    78    46    54   0.23400  1.0 3.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    51   0.56750  1.0 1.0
   46    40    44    51  -0.07550 -1.0 2.0
   46    40    44    51   0.20000  1.0 3.0
   46    40   -44    69   0.56750  1.0 1.0
   46    40   -44    69  -0.07550 -1.0 2.0
   46    40   -44    69   0.20000  1.0 3.0
   47    46    54    55   0.19450  1.0 3.0
   64    59    63    69  -2.26850  1.0 1.0
   64    59    63    69   3.39050 -1.0 2.0
   64    71    81    82   0.15000  1.0 3.0
   64    71    81    83   0.15000  1.0 3.0
   64    71    81    84   0.34400  1.0 1.0
   64    71    81    84   0.09450 -1.0 2.0
   64    71    81    84   0.11100  1.0 3.0
   65    64    71    72   0.33100  1.0 3.0
   65    64    71    73   0.33100  1.0 3.0
   65    64    71    81   0.00000  1.0 1.0
   71    81    84    85   0.15000  1.0 3.0
   71    81    84    86   0.15000  1.0 3.0
   71    81    84    87  -0.95700  1.0 1.0
   71    81    84    87  -0.18200 -1.0 2.0
   71    81    84    87   0.29450  1.0 3.0
   72    71    81    82   0.15000  1.0 3.0
   72    71    81    83   0.15000  1.0 3.0
   72    71    81    84   0.15000  1.0 3.0
   73    71    81    82   0.15000  1.0 3.0
   73    71    81    83   0.15000  1.0 3.0
   73    71    81    84   0.15000  1.0 3.0
   81    84    87    88   0.30150 -1.0 2.0
   81    84    87    89   0.50000  1.0 1.0
   81    84    87    89   0.27300 -1.0 2.0
   81    84    87    89   0.22500  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87  -0.11250  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87  -0.11250  1.0 3.0
   84    87    89    90   1.50000  1.0 1.0
   84    87    89    90   2.45000 -1.0 2.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
   88    87    89    90   0.92200  1.0 1.0
   88    87    89    90   3.74100 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   48    43    42    38  15.00000 -1.0 2.0
   51    63    59    64   1.10000 -1.0 2.0
   71    65    64    59   1.10000 -1.0 2.0
   84    89    87    88  10.50000 -1.0 2.0
END
