* LIGAND DATABASE FILE (OPLS2005)
*
001      94    96    174    271     513
    1     0 S   NP   _N1_     1    29.54017    98.24684   -20.84708
    2     1 S   H    _HN1     2     1.02945    67.28071    31.97306
    3     1 S   H    _H1_     3     1.02837    53.06284   167.36725
    4     1 S   H    _H2_     4     1.02790    88.33918   -78.73634
    5     1 S   CT   _CA1     5     1.50175   158.12567   120.50906
    6     5 S   HC   _HA1     6     1.09558   105.15997    97.96415
    7     5 S   CO3  _C1_     7     1.53872   112.46884   -22.23613
    8     7 S   O2Z  _O11     8     1.26408   115.09586   -37.34188
    9     7 S   O2Z  _O12     9     1.26232   115.18987   141.98360
   10     5 S   CT   _CB1    10     1.53164   107.40903  -143.83195
   11    10 S   HC   HB11    11     1.09818   109.60887   -45.41145
   12    10 S   HC   HB12    12     1.09818   110.36300    71.31226
   13    10 S   CT   _CG1    13     1.52968   112.60673  -166.30480
   14    13 S   HC   HG11    14     1.09441   110.70712   -60.27019
   15    13 S   HC   HG12    15     1.09670   109.89686    58.59059
   16    13 S   C    _CD1    16     1.51873   112.40135   178.48483
   17    16 S   O    _OE1    17     1.22702   123.26478   -10.05358
   18    16 S   N    _N2_    18     1.38534   111.49175   171.28742
   19    18 S   H    _HN2    19     1.01585   118.88754    -0.62307
   20    18 S   CT1  _CA2    20     1.46260   123.80619   176.13669
   21    20 S   HC   _HA2    21     1.09758   109.16944    -5.75837
   22    20 S   C    _C2_    22     1.53583   109.32462  -120.36117
   23    22 S   O    _O2_    23     1.23055   122.15368  -157.79911
   24    20 S   CT   _CB2    32     1.53423   110.65486   116.62924
   25    24 S   HC   HB21    33     1.09466   109.88063    41.80510
   26    24 S   HC   HB22    34     1.09434   111.34559   160.80995
   27    22 S   N    _N3_    24     1.38303   113.91997    29.93938
   28    27 S   H    _HN3    25     1.01609   119.41708    -3.26087
   29    24 S   S    _SG2    35     1.82992   110.54086   -81.24271
   30    27 S   CT   _CA3    26     1.45263   123.27329   176.58333
   31    30 S   HC   HA31    27     1.09546   107.59780   -62.75230
   32    30 S   HC   HA32    28     1.09502   107.94186    53.69921
   33    29 S   CT   _C20    36     1.85853   101.73414   139.57585
   34    33 S   OM   _O36    37     1.32099   109.34762   161.20576
   35    30 S   CO3  _C3_    29     1.52919   114.10728   175.58838
   36    35 S   O2Z  _O31    30     1.26367   116.05291     0.70416
   37    35 S   O2Z  _O32    31     1.26427   114.40586  -179.22924
   38    33 S   CT   _C21    38     1.58971   107.91324   -81.39152
   39    38 S   HC   _H18    39     1.10128   106.68286    58.68699
   40    33 S   OS   _O35    61     1.44997   113.49106    34.41868
   41    38 S   CT   _C22    40     1.55283   112.76721   173.07239
   42    41 S   HC   _H19    41     1.09700   110.22035    62.65667
   43    41 S   HC   _H20    42     1.09602   110.41643   -55.20836
   44    40 S   CA   _C17    62     1.36563   125.28445    68.48594
   45    41 S   CT   _C23    43     1.52934   112.42412  -175.93982
   46    45 S   HC   _H21    44     1.09750   109.22141    66.06492
   47    45 S   HC   _H22    45     1.09568   108.23181  -177.97290
   48    44 S   CA   _C16    63     1.39914   114.04032   171.70634
   49    48 S   HA   _H15    64     1.08758   119.90752    -1.06091
   50    45 S   CT   _C24    46     1.53466   112.03753   -55.93314
   51    50 S   HC   _H23    47     1.09876   108.33552   -63.00766
   52    48 S   CA   _C15    65     1.39604   120.95651   178.78662
   53    52 S   HA   _H14    66     1.08695   119.16647  -179.68348
   54    50 S   CT   _C25    48     1.53327   109.91274    54.97767
   55    54 S   HC   _H24    49     1.09672   109.89750  -176.73697
   56    54 S   HC   _H25    50     1.09528   109.54213    66.19023
   57    50 S   CT   _C27    54     1.53275   112.54953   176.93772
   58    57 S   HC   _H28    55     1.09410   112.31810   -55.60543
   59    57 S   HC   _H29    56     1.09423   111.27553  -178.58073
   60    52 S   CA   _C14    67     1.39756   120.28800    -0.59970
   61    38 S   CT   _C26    51     1.54998   115.62560   -60.16683
   62    61 S   HC   _H26    52     1.09469   111.02160    57.07543
   63    61 S   HC   _H27    53     1.09688   110.37341   -61.29166
   64    57 S   NP   _N4_    57     1.48287   110.78213    63.65495
   65    64 S   H    _H30    58     1.02835   111.63455    54.85238
   66    64 S   H    _H31    59     1.02787   111.98797   -66.25673
   67    64 S   H    _H32    60     1.02849   110.66880   174.39688
   68    60 S   CA   _C19    68     1.39992   118.71941     0.83533
   69    68 S   HA   _H17    69     1.08753   120.24006  -179.89913
   70    60 S   CT   _C13    72     1.50832   120.78625  -177.54091
   71    70 S   HC   _H12    73     1.09743   108.65368  -147.61057
   72    70 S   HC   _H13    74     1.09747   109.50471   -32.39623
   73    44 S   CA   _C18    70     1.39289   127.09722    -9.25319
   74    73 S   HA   _H16    71     1.08389   122.14889     1.49240
   75    70 S   CT   _C12    75     1.52686   112.67256    91.29493
   76    75 S   HC   _H10    76     1.09678   109.84176   164.97850
   77    75 S   HC   _H11    77     1.09634   112.26618    47.06221
   78    75 S   CO4  _C11    78     1.50920   111.64273   -76.85483
   79    78 S   O    _O34    79     1.22433   123.65221   -81.38363
   80    78 S   OS   _O33    80     1.36210   110.31319    97.02128
   81    80 S   CT   _C10    81     1.43417   115.57767  -176.80684
   82    81 S   HC   _H8_    82     1.09713   110.63131    46.93621
   83    81 S   HC   _H9_    83     1.09634   109.25891   -72.22287
   84    81 S   CA   _C7_    84     1.50324   108.30764   167.40325
   85    84 S   CA   _C6_    85     1.40160   120.38675   -89.07143
   86    85 S   HA   _H5_    86     1.08689   120.29977    -1.31343
   87    85 S   CA   _C5_    87     1.39562   120.53708   178.59946
   88    87 S   HA   _H4_    88     1.08614   119.98027  -179.77619
   89    87 S   CA   _C4_    89     1.39293   119.98809     0.11869
   90    89 S   HA   _H3_    90     1.08617   120.09640  -179.86878
   91    89 S   CA   _C9_    91     1.39400   119.92986    -0.34605
   92    91 S   HA   _H7_    92     1.08632   119.92677  -179.37411
   93    84 S   CA   _C8_    93     1.40046   120.56984    89.00855
   94    93 S   HA   _H6_    94     1.08707   120.41085     0.90439
  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   8   5   4   3
  15   6   2   1   1  16   9   9  12   6   5   9  12   5   4   8
   4  14   8   9   3   9   5   4   7   5   4  11   2   1   1   3
   2   1   1   7   3   9   5   4   1   1   6   4   3   6   2   6
   9   4   3   9   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    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    41    61    40    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    45    54    61    62    63    40    44    48    73  
   38    39    41    61    40    44  
   36    37  
   37  
    0  
   39    41    42    43    45    46    47    50    54    55    56    61    62    63    40    44  
   41    42    43    45    54    61    62    63    40  
   44    48    49    52    68    73    74    41    61  
   42    43    45    46    47    50    51    54    61    62    63    57  
   43    45    46    47    50    61  
   45    46    47    50    61  
   48    49    52    53    60    68    69    73    74  
   46    47    50    51    54    55    56    61    57    58    59    64  
   47    50    51    54    57  
   50    51    54    57  
   49    52    53    60    68    73    74    70  
   52    53    60    73  
   51    54    55    56    61    62    63    57    58    59    64    65    66    67  
   54    55    56    61    57    58    59    64  
   53    60    68    69    73    70    71    72    75  
   60    68    70  
   55    56    61    62    63    57    58    59    64  
   56    61    62    63    57  
   61    62    63    57  
   58    59    64    65    66    67    61  
   59    64    65    66    67  
   64    65    66    67  
   68    69    73    74    70    71    72    75    76    77    78  
   62    63  
   63  
    0  
   65    66    67  
   66    67  
   67  
    0  
   69    73    74    70    71    72    75  
   73    74    70  
   71    72    75    76    77    78    79    80    73  
   72    75    76    77    78  
   75    76    77    78  
   74  
    0  
   76    77    78    79    80    81  
   77    78    79    80  
   78    79    80  
   79    80    81    82    83    84  
   80    81  
   81    82    83    84    85    93  
   82    83    84    85    86    87    91    93    94  
   83    84    85    93  
   84    85    93  
   85    86    87    88    89    91    92    93    94  
   86    87    88    89    90    91    93    94  
   87    88    89    93  
   88    89    90    91    92    93  
   89    90    91  
   90    91    92    93    94  
   91    92    93  
   92    93    94  
   93    94  
   94  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   65   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   66   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660   0.231800   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   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
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   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    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   570.000  1.307
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    61   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   367.000  1.471
   64    65   434.000  1.010
   64    66   434.000  1.010
   64    67   434.000  1.010
   40    44   450.000  1.364
   44    48   469.000  1.400
   44    73   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    68   469.000  1.400
   60    70   317.000  1.510
   68    69   367.000  1.080
   68    73   469.000  1.400
   73    74   367.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.522
   78    79   570.000  1.229
   78    80   214.000  1.327
   80    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   317.000  1.510
   84    85   469.000  1.400
   84    93   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
   89    91   469.000  1.400
   91    92   367.000  1.080
   91    93   469.000  1.400
   93    94   367.000  1.080
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    61    58.35000  112.70000
   33    40    44    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    45    58.35000  112.70000
   38    61    54    58.35000  112.70000
   38    61    62    37.50000  110.70000
   38    61    63    37.50000  110.70000
   41    38    39    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    50    58.35000  112.70000
   43    41    42    33.00000  107.80000
   45    41    42    37.50000  110.70000
   45    41    43    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    54    58.35000  112.70000
   45    50    57    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    61    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    64    80.00000  111.20000
   54    50    51    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   56    54    55    33.00000  107.80000
   61    38    39    37.50000  110.70000
   61    38    41    58.35000  112.70000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   63    61    62    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   59    57    58    33.00000  107.80000
   64    57    58    35.00000  109.50000
   64    57    59    35.00000  109.50000
   66    64    65    35.00000  109.50000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   40    33    34   110.00000  112.65000
   40    33    38    50.00000  109.50000
   40    44    48    70.00000  120.00000
   40    44    73    70.00000  120.00000
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   44    73    68    63.00000  120.00000
   44    73    74    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    60    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    60    68    63.00000  120.00000
   52    60    70    70.00000  120.00000
   60    52    53    35.00000  120.00000
   60    68    69    35.00000  120.00000
   60    68    73    63.00000  120.00000
   60    70    71    35.00000  109.50000
   60    70    72    35.00000  109.50000
   60    70    75    70.00000  112.17500
   68    73    74    35.00000  120.00000
   73    44    48    63.00000  120.00000
   73    68    69    35.00000  120.00000
   70    60    68    70.00000  120.00000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    63.00000  111.10000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    78    79    80.00000  120.40000
   75    78    80    81.00000  111.40000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    80    81    83.00000  116.90000
   80    78    79    83.00000  123.40000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    85.00000  111.85700
   81    84    85    70.00000  120.00000
   81    84    93    70.00000  120.00000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   84    85    86    35.00000  120.00000
   84    85    87    63.00000  120.00000
   84    93    91    63.00000  120.00000
   84    93    94    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
   87    89    91    63.00000  120.00000
   89    87    88    35.00000  120.00000
   89    91    92    35.00000  120.00000
   89    91    93    63.00000  120.00000
   91    89    90    35.00000  120.00000
   91    93    94    35.00000  120.00000
   93    84    85    63.00000  120.00000
   93    91    92    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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    61   0.44750  1.0 1.0
   29    33    38    61  -0.17800 -1.0 2.0
   29    33    38    61   0.20200  1.0 3.0
   29    33    40    44   0.14700  1.0 1.0
   29    33    40    44  -1.16150 -1.0 2.0
   29    33    40    44   0.48700  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    38    61    54   0.56750  1.0 1.0
   33    38    61    54  -0.07550 -1.0 2.0
   33    38    61    54   0.20000  1.0 3.0
   33    38    61    62   0.15000  1.0 3.0
   33    38    61    63   0.15000  1.0 3.0
   33    40    44    48   1.63200 -1.0 2.0
   33    40    44    73   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    61   0.62750  1.0 1.0
   34    33    38    61  -0.30950 -1.0 2.0
   34    33    38    61   0.27300  1.0 3.0
   34    33    40    44  -0.25600  1.0 1.0
   34    33    40    44  -0.40050 -1.0 2.0
   34    33    40    44   0.34700  1.0 3.0
   38    33    40    44  -0.32850  1.0 1.0
   38    33    40    44  -0.35800 -1.0 2.0
   38    33    40    44   0.33950  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    50   0.56750  1.0 1.0
   38    41    45    50  -0.07550 -1.0 2.0
   38    41    45    50   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    45   0.15000  1.0 3.0
   39    38    61    54   0.15000  1.0 3.0
   39    38    61    62   0.15000  1.0 3.0
   39    38    61    63   0.15000  1.0 3.0
   41    38    61    54   0.56750  1.0 1.0
   41    38    61    54  -0.07550 -1.0 2.0
   41    38    61    54   0.20000  1.0 3.0
   41    38    61    62   0.15000  1.0 3.0
   41    38    61    63   0.15000  1.0 3.0
   41    45    50    51   0.15000  1.0 3.0
   41    45   -50    54   0.56750  1.0 1.0
   41    45   -50    54  -0.07550 -1.0 2.0
   41    45   -50    54   0.20000  1.0 3.0
   41    45    50    57   0.56750  1.0 1.0
   41    45    50    57  -0.07550 -1.0 2.0
   41    45    50    57   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    50   0.15000  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    50   0.15000  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    56   0.15000  1.0 3.0
   45    50    54    61   0.56750  1.0 1.0
   45    50    54    61  -0.07550 -1.0 2.0
   45    50    54    61   0.20000  1.0 3.0
   45    50    57    58   0.15000  1.0 3.0
   45    50    57    59   0.15000  1.0 3.0
   45    50    57    64   1.36600  1.0 1.0
   45    50    57    64  -0.11450 -1.0 2.0
   45    50    57    64   0.24250  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   46    45    50    57   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   47    45    50    57   0.15000  1.0 3.0
   50    54   -61    38   0.56750  1.0 1.0
   50    54   -61    38  -0.07550 -1.0 2.0
   50    54   -61    38   0.20000  1.0 3.0
   50    54    61    62   0.15000  1.0 3.0
   50    54    61    63   0.15000  1.0 3.0
   50    57    64    65   0.17350  1.0 3.0
   50    57    64    66   0.17350  1.0 3.0
   50    57    64    67   0.17350  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    61   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    64   0.19200  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    59   0.15000  1.0 3.0
   54    50    57    64   1.36600  1.0 1.0
   54    50    57    64  -0.11450 -1.0 2.0
   54    50    57    64   0.24250  1.0 3.0
   55    54    61    38   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   56    54    61    38   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   61    38    41    42   0.15000  1.0 3.0
   61    38    41    43   0.15000  1.0 3.0
   61    38   -41    45   0.56750  1.0 1.0
   61    38   -41    45  -0.07550 -1.0 2.0
   61    38   -41    45   0.20000  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    61   0.56750  1.0 1.0
   57    50    54    61  -0.07550 -1.0 2.0
   57    50    54    61   0.20000  1.0 3.0
   58    57    64    65   0.13050  1.0 3.0
   58    57    64    66   0.13050  1.0 3.0
   58    57    64    67   0.13050  1.0 3.0
   59    57    64    65   0.13050  1.0 3.0
   59    57    64    66   0.13050  1.0 3.0
   59    57    64    67   0.13050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41   0.62750  1.0 1.0
   40    33    38    41  -0.30950 -1.0 2.0
   40    33    38    41   0.27300  1.0 3.0
   40    33    38    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   0.27300  1.0 3.0
   40    44    48    49   3.62500 -1.0 2.0
   40    44    48    52   3.62500 -1.0 2.0
   40    44    73    68   3.62500 -1.0 2.0
   40    44    73    74   3.62500 -1.0 2.0
   44    48    52    53   3.62500 -1.0 2.0
   44    48    52    60   3.62500 -1.0 2.0
   48    44    73    68   3.62500 -1.0 2.0
   48    44    73    74   3.62500 -1.0 2.0
   48    52   -60    68   3.62500 -1.0 2.0
   48    52    60    70   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    60   3.62500 -1.0 2.0
   52    60    68    69   3.62500 -1.0 2.0
   52    60    68    73   3.62500 -1.0 2.0
   52    60    70    71   0.00000  1.0 1.0
   52    60    70    72   0.00000  1.0 1.0
   52    60    70    75   0.04150 -1.0 2.0
   53    52    60    68   3.62500 -1.0 2.0
   53    52    60    70   3.62500 -1.0 2.0
   60    68   -73    44   3.62500 -1.0 2.0
   60    68    73    74   3.62500 -1.0 2.0
   60    70    75    76   0.43200  1.0 3.0
   60    70    75    77   0.43200  1.0 3.0
   60    70    75    78   0.56750  1.0 1.0
   60    70    75    78  -0.07550 -1.0 2.0
   60    70    75    78   0.20000  1.0 3.0
   68    60    70    71   0.00000  1.0 1.0
   68    60    70    72   0.00000  1.0 1.0
   68    60    70    75   0.04150 -1.0 2.0
   69    68    73    44   3.62500 -1.0 2.0
   69    68    73    74   3.62500 -1.0 2.0
   73    44    48    49   3.62500 -1.0 2.0
   73    44   -48    52   3.62500 -1.0 2.0
   70    60    68    69   3.62500 -1.0 2.0
   70    60    68    73   3.62500 -1.0 2.0
   70    75    78    79   0.30150 -1.0 2.0
   70    75    78    80   0.36750  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78  -0.11250  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    78  -0.11250  1.0 3.0
   75    78    80    81   1.63150  1.0 1.0
   75    78    80    81   2.92000 -1.0 2.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   77    75    78    79   0.00000  1.0 1.0
   77    75    78    80   0.00000  1.0 1.0
   78    80    81    82   0.08050  1.0 3.0
   78    80    81    83   0.08050  1.0 3.0
   78    80    81    84  -0.43900 -1.0 2.0
   78    80    81    84   0.14100  1.0 3.0
   79    78    80    81   3.00000 -1.0 2.0
   80    81    84    85   0.64500  1.0 1.0
   80    81    84    85   0.14800 -1.0 2.0
   80    81    84    85   0.20650  1.0 3.0
   80    81    84    93   0.64500  1.0 1.0
   80    81    84    93   0.14800 -1.0 2.0
   80    81    84    93   0.20650  1.0 3.0
   81    84    85    86   3.62500 -1.0 2.0
   81    84    85    87   3.62500 -1.0 2.0
   81    84    93    91   3.62500 -1.0 2.0
   81    84    93    94   3.62500 -1.0 2.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    93   0.00000  1.0 1.0
   83    81    84    85   0.00000  1.0 1.0
   83    81    84    93   0.00000  1.0 1.0
   84    85    87    88   3.62500 -1.0 2.0
   84    85    87    89   3.62500 -1.0 2.0
   85    84    93    91   3.62500 -1.0 2.0
   85    84    93    94   3.62500 -1.0 2.0
   85    87    89    90   3.62500 -1.0 2.0
   85    87   -89    91   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
   87    89    91    92   3.62500 -1.0 2.0
   87    89    91    93   3.62500 -1.0 2.0
   88    87    89    90   3.62500 -1.0 2.0
   88    87    89    91   3.62500 -1.0 2.0
   89    91   -93    84   3.62500 -1.0 2.0
   89    91    93    94   3.62500 -1.0 2.0
   90    89    91    92   3.62500 -1.0 2.0
   90    89    91    93   3.62500 -1.0 2.0
   92    91    93    84   3.62500 -1.0 2.0
   92    91    93    94   3.62500 -1.0 2.0
   93    84    85    86   3.62500 -1.0 2.0
   93    84   -85    87   3.62500 -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
   48    73    44    40   4.00000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   60    53    52    48   1.10000 -1.0 2.0
   68    70    60    52   4.00000 -1.0 2.0
   73    69    68    60   1.10000 -1.0 2.0
   68    74    73    44   1.10000 -1.0 2.0
   75    80    78    79  10.50000 -1.0 2.0
   85    93    84    81   4.00000 -1.0 2.0
   87    86    85    84   1.10000 -1.0 2.0
   89    88    87    85   1.10000 -1.0 2.0
   91    90    89    87   1.10000 -1.0 2.0
   93    92    91    89   1.10000 -1.0 2.0
   91    94    93    84   1.10000 -1.0 2.0
END
