* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    167    252     493
    1     0 S   NP   _N1_     1    28.45619    91.75910   -20.69460
    2     1 S   H    _HN1     2     1.03511   101.12519    43.93456
    3     1 S   H    _H1_     3     1.02775    13.05684   158.95786
    4     1 S   H    _H2_     4     1.02741    98.66766   -65.52366
    5     1 S   CT   _CA1     5     1.49941   124.01340   169.85266
    6     5 S   HC   _HA1     6     1.09604   105.04295    58.39978
    7     5 S   CO3  _C1_     7     1.53661   112.77884   -61.37972
    8     7 S   O2Z  _O11     8     1.26270   115.31751   -47.62036
    9     7 S   O2Z  _O12     9     1.26322   114.73037   131.84052
   10     5 S   CT   _CB1    10     1.53051   107.65373   175.80736
   11    10 S   HC   HB11    11     1.09796   109.05725   -52.66541
   12    10 S   HC   HB12    12     1.09637   110.46144    63.85350
   13    10 S   CT   _CG1    13     1.53048   112.98974  -174.38612
   14    13 S   HC   HG11    14     1.09614   110.14217   -65.71275
   15    13 S   HC   HG12    15     1.09632   110.24156    53.44027
   16    13 S   C    _CD1    16     1.51907   112.15407   173.26629
   17    16 S   O    _OE1    17     1.22756   123.10242   -15.24287
   18    16 S   N    _N2_    18     1.38644   111.90952   166.24539
   19    18 S   H    _HN2    19     1.01582   119.05531    -0.67609
   20    18 S   CT1  _CA2    20     1.46282   123.32707   178.76536
   21    20 S   HC   _HA2    21     1.09751   109.26156   -14.61053
   22    20 S   C    _C2_    22     1.53469   108.04323  -130.00953
   23    22 S   O    _O2_    23     1.23008   122.33807  -144.97885
   24    20 S   CT   _CB2    32     1.53637   111.97222   107.62570
   25    24 S   HC   HB21    33     1.09450   109.49242    55.09328
   26    24 S   HC   HB22    34     1.09398   109.64004   173.84168
   27    22 S   N    _N3_    24     1.38538   113.30557    42.32018
   28    27 S   H    _HN3    25     1.01529   118.91543    -0.52077
   29    24 S   S    _SG2    35     1.82920   111.40734   -66.09406
   30    27 S   CT   _CA3    26     1.45445   123.41037   175.06978
   31    30 S   HC   HA31    27     1.09526   109.17608    25.52958
   32    30 S   HC   HA32    28     1.09493   107.13571   142.53839
   33    29 S   CT   _C12    36     1.84671   102.15676  -177.36433
   34    30 S   CO3  _C3_    29     1.52935   113.16713   -97.89623
   35    34 S   O2Z  _O31    30     1.26397   115.43843   -43.42785
   36    34 S   O2Z  _O32    31     1.26360   114.95642   137.50220
   37    33 S   CM   _C16    37     1.52740   110.76858   167.06999
   38    33 S   CM   _C11    67     1.52127   109.38834   -65.92659
   39    38 S   HC   _H16    68     1.08925   115.22163    66.78843
   40    37 S   CMA  _C15    38     1.35135   112.14318  -137.51678
   41    40 S   OM   _O35    39     1.25707   135.54712  -177.45562
   42    37 S   CT   _C17    46     1.50984   122.77531    45.83655
   43    42 S   HC   _H21    47     1.09462   109.50157    17.55005
   44    42 S   HC   _H22    48     1.09796   109.43936   132.21312
   45    38 S   CM   _C10    69     1.34381   128.08280  -114.70395
   46    45 S   HC   _H15    70     1.08594   120.56566     0.64285
   47    40 S   CT   _C14    40     1.51000   109.86157     2.06621
   48    47 S   HC   _H19    41     1.09680   113.68771   136.01555
   49    47 S   HC   _H20    42     1.09752   110.82577  -101.20662
   50    42 S   CT   _C18    49     1.53395   112.57100  -106.45698
   51    50 S   HC   _H23    50     1.09736   108.74584   -70.16827
   52    50 S   HC   _H24    51     1.09625   111.08907    46.36099
   53    45 S   CT   _C9_    71     1.50292   123.48813  -178.94798
   54    53 S   HC   _H3_    72     1.09626   111.41661     6.63628
   55    33 S   CT   _C13    43     1.54157   111.07197    56.65389
   56    55 S   HC   _H17    44     1.09956   111.64034    29.73619
   57    55 S   HC   _H18    45     1.09642   113.72792   -91.54178
   58    50 S   CT   _C19    52     1.53201   113.11168   169.78005
   59    58 S   HC   _H25    53     1.09713   108.14133   165.64670
   60    58 S   HC   _H26    54     1.09643   110.08273    49.22211
   61    53 S   CT   _C8_    73     1.53257   112.71266  -116.79428
   62    61 S   HC   _H13    74     1.09817   108.58941  -171.70592
   63    61 S   HC   _H14    75     1.09836   109.90104   -56.93574
   64    53 S   OH   _O36    89     1.42816   108.28444   124.11829
   65    64 S   HO   _H33    90     0.97282   107.53088   -54.41344
   66    58 S   CT   _C20    55     1.53080   112.57221   -74.17051
   67    66 S   HC   _H27    56     1.09553   110.24689    63.45428
   68    66 S   HC   _H28    57     1.09704   109.38898   -54.01284
   69    61 S   CT   _C7_    76     1.53091   113.22713    66.45463
   70    69 S   HC   _H11    77     1.09625   110.20356   -62.22149
   71    69 S   HC   _H12    78     1.09676   109.48421    55.50925
   72    66 S   CT   _C21    58     1.53051   111.61208  -175.16005
   73    72 S   HC   _H29    59     1.09675   109.68407   -60.34540
   74    72 S   HC   _H30    60     1.09683   109.75019    56.90693
   75    69 S   CT   _C6_    79     1.52973   111.07989   176.62861
   76    75 S   HC   _H9_    80     1.09688   109.59484   -57.31584
   77    75 S   HC   _H10    81     1.09688   109.51884    59.93001
   78    72 S   CT   _C22    61     1.52438   110.82548   178.13870
   79    78 S   HC   _H31    62     1.09711   109.33119    59.36467
   80    78 S   HC   _H32    63     1.09724   109.09728   -57.79817
   81    75 S   CT   _C5_    82     1.52812   111.41952  -178.61478
   82    81 S   HC   _H7_    83     1.09589   109.87985   -58.56377
   83    81 S   HC   _H8_    84     1.09620   109.86648    59.14251
   84    78 S   CO3  _C23    64     1.52949   116.18984  -179.01107
   85    84 S   O2Z  _O34    65     1.26664   113.75000   176.84043
   86    84 S   O2Z  _O33    66     1.26047   116.79097    -3.00687
   87    81 S   CT   _C4_    85     1.52046   111.30871  -179.83449
   88    87 S   HC   _H4_    86     1.09471   111.00962   -59.12994
   89    87 S   HC   _H5_    87     1.09468   110.96517    61.37088
   90    87 S   HC   _H6_    88     1.09398   110.38663  -178.81965
  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  11   5   4   3
  18   2   1   1  18  13   4  11   5  11   5   4  10   4   5   4
   3   9   5   4  10   6   2   1   1   9   5   4  11   6   5   2
   1   9   5   4   9   5   4   8   5   4   9   5   4   5   4   3
   6   5   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    55    56    57    42    38    39    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    47    48    49    55    56    57    42    43    44    50    38    39    45    46    53  
   35    36  
   36  
    0  
   40    41    47    48    49    55    56    57    42    43    44    50    51    52    58    38    39    45  
   39    45    46    53    54    61    64    40    42    47    55    56    57  
   45    46    53    55  
   41    47    48    49    55    56    57    42    43    44    50  
   47    48    49    55    42  
   43    44    50    51    52    58    59    60    66    47    55  
   44    50    51    52    58  
   50    51    52    58  
   46    53    54    61    62    63    69    64    65    55  
   53    54    61    64  
   48    49    55    56    57  
   49    55    56    57  
   55    56    57  
   51    52    58    59    60    66    67    68    72  
   52    58    59    60    66  
   58    59    60    66  
   54    61    62    63    69    70    71    75    64    65  
   61    62    63    69    64    65  
   56    57  
   57  
    0  
   59    60    66    67    68    72    73    74    78  
   60    66    67    68    72  
   66    67    68    72  
   62    63    69    70    71    75    76    77    81    64    65  
   63    69    70    71    75    64  
   69    70    71    75    64  
   65    69  
    0  
   67    68    72    73    74    78    79    80    84  
   68    72    73    74    78  
   72    73    74    78  
   70    71    75    76    77    81    82    83    87  
   71    75    76    77    81  
   75    76    77    81  
   73    74    78    79    80    84    85    86  
   74    78    79    80    84  
   78    79    80    84  
   76    77    81    82    83    87    88    89    90  
   77    81    82    83    87  
   81    82    83    87  
   79    80    84    85    86  
   80    84    85    86  
   84    85    86  
   82    83    87    88    89    90  
   83    87    88    89    90  
   87    88    89    90  
   85    86  
   86  
    0  
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    55   268.000  1.529
   33    38   317.000  1.510
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   317.000  1.522
   84    85   656.000  1.250
   84    86   656.000  1.250
   38    39   340.000  1.080
   38    45   549.000  1.340
   45    46   340.000  1.080
   45    53   317.000  1.510
   53    54   340.000  1.090
   53    61   268.000  1.529
   53    64   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   64    65   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    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    55    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   33    38    39    35.00000  117.00000
   33    38    45    70.00000  124.00000
   37    40    41    65.00000  137.10300
   37    40    47    65.00000  122.18000
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    50    70.00000  112.02700
   40    47    48    45.00000  110.52000
   40    47    49    45.00000  110.52000
   40    47    55    70.00000  112.02700
   47    40    41    85.00000  112.85300
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   49    47    48    33.00000  107.80000
   55    33    37    70.00000  112.02700
   55    47    48    37.50000  110.70000
   55    47    49    37.50000  110.70000
   57    55    56    33.00000  107.80000
   42    37    40    70.00000  124.00000
   42    50    51    37.50000  110.70000
   42    50    52    37.50000  110.70000
   42    50    58    58.35000  112.70000
   44    42    43    33.00000  107.80000
   50    42    43    37.50000  110.70000
   50    42    44    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    66    58.35000  112.70000
   52    50    51    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    52    37.50000  110.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    72    58.35000  112.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    78    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    84    70.00000  109.69300
   74    72    73    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    84    85    70.00000  117.00000
   78    84    86    70.00000  117.00000
   80    78    79    33.00000  107.80000
   84    78    79    35.00000  109.50000
   84    78    80    35.00000  109.50000
   86    84    85    80.00000  126.00000
   38    33    37    70.00000  110.12100
   38    33    55    70.00000  112.02700
   38    45    46    35.00000  120.00000
   38    45    53    70.00000  124.00000
   45    38    39    35.00000  120.00000
   45    53    54    35.00000  109.50000
   45    53    61    70.00000  112.02700
   45    53    64    90.00000  110.39200
   53    45    46    35.00000  117.00000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    69    58.35000  112.70000
   53    64    65    55.00000  108.50000
   61    53    54    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    75    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    81    58.35000  112.70000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    87    58.35000  112.70000
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    90    37.50000  110.70000
   83    81    82    33.00000  107.80000
   87    81    82    37.50000  110.70000
   87    81    83    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   64    53    54    35.00000  109.50000
   64    53    61    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    45   0.42700  1.0 1.0
   29    33    38    45  -0.70350 -1.0 2.0
   29    33    38    45  -0.43150  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    47   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    50   0.46850  1.0 1.0
   33    37    42    50   0.08550 -1.0 2.0
   33    37    42    50   0.09800  1.0 3.0
   33    38    45    46   7.00000 -1.0 2.0
   33    38    45    53   7.00000 -1.0 2.0
   37    33   -55    47   0.34400  1.0 1.0
   37    33   -55    47   0.09450 -1.0 2.0
   37    33   -55    47   0.11100  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    45  -0.28300  1.0 1.0
   37    33    38    45   0.26700 -1.0 2.0
   37    33    38    45  -0.63300  1.0 3.0
   37    40    47    48   0.00000  1.0 1.0
   37    40    47    49   0.00000  1.0 1.0
   37    40   -47    55   0.09850  1.0 1.0
   37    40   -47    55   0.15250 -1.0 2.0
   37    40   -47    55  -0.50650  1.0 3.0
   37    42    50    51   0.15000  1.0 3.0
   37    42    50    52   0.15000  1.0 3.0
   37    42    50    58   0.34400  1.0 1.0
   37    42    50    58   0.09450 -1.0 2.0
   37    42    50    58   0.11100  1.0 3.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    50   0.09850  1.0 1.0
   40    37    42    50   0.15250 -1.0 2.0
   40    37    42    50  -0.50650  1.0 3.0
   40    47   -55    33   0.34400  1.0 1.0
   40    47   -55    33   0.09450 -1.0 2.0
   40    47   -55    33   0.11100  1.0 3.0
   40    47    55    56   0.15000  1.0 3.0
   40    47    55    57   0.15000  1.0 3.0
   41    40    47    48   0.00000  1.0 1.0
   41    40    47    49   0.00000  1.0 1.0
   41    40    47    55   0.09700  1.0 1.0
   41    40    47    55   0.15600 -1.0 2.0
   41    40    47    55  -0.50800  1.0 3.0
   48    47    55    33   0.15000  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   49    47    55    33   0.15000  1.0 3.0
   49    47    55    56   0.15000  1.0 3.0
   49    47    55    57   0.15000  1.0 3.0
   55    33   -37    40   0.09850  1.0 1.0
   55    33   -37    40   0.15250 -1.0 2.0
   55    33   -37    40  -0.50650  1.0 3.0
   55    33    37    42   0.46850  1.0 1.0
   55    33    37    42   0.08550 -1.0 2.0
   55    33    37    42   0.09800  1.0 3.0
   55    33    38    39   0.00000  1.0 1.0
   55    33    38    45   0.09850  1.0 1.0
   55    33    38    45   0.15250 -1.0 2.0
   55    33    38    45  -0.50650  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    47   7.00000 -1.0 2.0
   42    50    58    59   0.15000  1.0 3.0
   42    50    58    60   0.15000  1.0 3.0
   42    50    58    66   0.56750  1.0 1.0
   42    50    58    66  -0.07550 -1.0 2.0
   42    50    58    66   0.20000  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    58   0.15000  1.0 3.0
   44    42    50    51   0.15000  1.0 3.0
   44    42    50    52   0.15000  1.0 3.0
   44    42    50    58   0.15000  1.0 3.0
   50    58    66    67   0.15000  1.0 3.0
   50    58    66    68   0.15000  1.0 3.0
   50    58    66    72   0.56750  1.0 1.0
   50    58    66    72  -0.07550 -1.0 2.0
   50    58    66    72   0.20000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    66   0.15000  1.0 3.0
   52    50    58    59   0.15000  1.0 3.0
   52    50    58    60   0.15000  1.0 3.0
   52    50    58    66   0.15000  1.0 3.0
   58    66    72    73   0.15000  1.0 3.0
   58    66    72    74   0.15000  1.0 3.0
   58    66    72    78   0.56750  1.0 1.0
   58    66    72    78  -0.07550 -1.0 2.0
   58    66    72    78   0.20000  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    72   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    68   0.15000  1.0 3.0
   60    58    66    72   0.15000  1.0 3.0
   66    72    78    79   0.15000  1.0 3.0
   66    72    78    80   0.15000  1.0 3.0
   66    72    78    84  -1.63150  1.0 1.0
   66    72    78    84  -0.43550 -1.0 2.0
   66    72    78    84   0.24500  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    78   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    78   0.15000  1.0 3.0
   72    78    84    85   0.41150 -1.0 2.0
   72    78    84    86   0.41150 -1.0 2.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    84  -0.11250  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    84  -0.11250  1.0 3.0
   79    78    84    85   0.00000  1.0 1.0
   79    78    84    86   0.00000  1.0 1.0
   80    78    84    85   0.00000  1.0 1.0
   80    78    84    86   0.00000  1.0 1.0
   38    33    37    40  -0.28300  1.0 1.0
   38    33    37    40   0.26700 -1.0 2.0
   38    33    37    40  -0.63300  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    55    47   0.34400  1.0 1.0
   38    33    55    47   0.09450 -1.0 2.0
   38    33    55    47   0.11100  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   38    45    53    54   0.00000  1.0 1.0
   38    45    53    61   0.09850  1.0 1.0
   38    45    53    61   0.15250 -1.0 2.0
   38    45    53    61  -0.50650  1.0 3.0
   38    45    53    64   0.67800  1.0 1.0
   38    45    53    64   0.47050 -1.0 2.0
   38    45    53    64  -0.62500  1.0 3.0
   39    38    45    46   7.00000 -1.0 2.0
   39    38    45    53   7.00000 -1.0 2.0
   45    53    61    62   0.15000  1.0 3.0
   45    53    61    63   0.15000  1.0 3.0
   45    53    61    69   0.34400  1.0 1.0
   45    53    61    69   0.09450 -1.0 2.0
   45    53    61    69   0.11100  1.0 3.0
   45    53    64    65  -0.07800  1.0 1.0
   45    53    64    65  -0.21500 -1.0 2.0
   45    53    64    65  -0.03150  1.0 3.0
   46    45    53    54   0.33100  1.0 3.0
   46    45    53    61   0.00000  1.0 1.0
   46    45    53    64   0.00000  1.0 1.0
   53    61    69    70   0.15000  1.0 3.0
   53    61    69    71   0.15000  1.0 3.0
   53    61    69    75   0.56750  1.0 1.0
   53    61    69    75  -0.07550 -1.0 2.0
   53    61    69    75   0.20000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    69   0.15000  1.0 3.0
   54    53    64    65   0.19450  1.0 3.0
   61    53    64    65  -0.11600  1.0 1.0
   61    53    64    65  -0.09450 -1.0 2.0
   61    53    64    65   0.21250  1.0 3.0
   61    69    75    76   0.15000  1.0 3.0
   61    69    75    77   0.15000  1.0 3.0
   61    69    75    81   0.56750  1.0 1.0
   61    69    75    81  -0.07550 -1.0 2.0
   61    69    75    81   0.20000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    75   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    71   0.15000  1.0 3.0
   63    61    69    75   0.15000  1.0 3.0
   69    75    81    82   0.15000  1.0 3.0
   69    75    81    83   0.15000  1.0 3.0
   69    75    81    87   0.56750  1.0 1.0
   69    75    81    87  -0.07550 -1.0 2.0
   69    75    81    87   0.20000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    81   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    81   0.15000  1.0 3.0
   75    81    87    88   0.15000  1.0 3.0
   75    81    87    89   0.15000  1.0 3.0
   75    81    87    90   0.15000  1.0 3.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    87   0.15000  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    87   0.15000  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   82    81    87    90   0.15000  1.0 3.0
   83    81    87    88   0.15000  1.0 3.0
   83    81    87    89   0.15000  1.0 3.0
   83    81    87    90   0.15000  1.0 3.0
   64    53    61    62   0.23400  1.0 3.0
   64    53    61    63   0.23400  1.0 3.0
   64    53    61    69   0.86500  1.0 1.0
   64    53    61    69  -0.17500 -1.0 2.0
   64    53    61    69   0.20800  1.0 3.0
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    42    37    40   1.10000 -1.0 2.0
   47    41    40    37   1.10000 -1.0 2.0
   85    78    84    86  10.50000 -1.0 2.0
   33    39    38    45  15.00000 -1.0 2.0
   53    46    45    38  15.00000 -1.0 2.0
END
