* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    166    242     488
    1     0 S   NP   _N1_     1    28.79596    95.13006   -19.69140
    2     1 S   H    _HN1     2     1.02768    82.52403   -64.94894
    3     1 S   H    _H1_     3     1.02971    94.33159    43.05056
    4     1 S   H    _H2_     4     1.02829    34.38301   157.06942
    5     1 S   CT   _CA1     5     1.50185   143.88590   176.99528
    6     5 S   HC   _HA1     6     1.09570   105.18724    47.35087
    7     5 S   CO3  _C1_     7     1.53817   112.51170   -72.68299
    8     7 S   O2Z  _O11     8     1.26363   115.00766   -36.61642
    9     7 S   O2Z  _O12     9     1.26245   114.99819   142.54329
   10     5 S   CT   _CB1    10     1.53091   107.33969   165.30975
   11    10 S   HC   HB11    11     1.09818   109.29836   -49.30217
   12    10 S   HC   HB12    12     1.09814   110.30701    67.19651
   13    10 S   CT   _CG1    13     1.53015   112.88396  -170.49893
   14    13 S   HC   HG11    14     1.09562   110.29388   -63.69597
   15    13 S   HC   HG12    15     1.09628   110.18142    55.58445
   16    13 S   C    _CD1    16     1.51810   112.22185   175.77186
   17    16 S   O    _OE1    17     1.22749   123.19824    -9.55020
   18    16 S   N    _N2_    18     1.38684   111.71550   170.81851
   19    18 S   H    _HN2    19     1.01590   119.03854     1.23432
   20    18 S   CT1  _CA2    20     1.46352   123.31440  -176.94597
   21    20 S   HC   _HA2    21     1.09746   109.22421   -17.43794
   22    20 S   C    _C2_    22     1.53366   108.39188  -133.21235
   23    22 S   O    _O2_    23     1.23006   122.26811  -145.97796
   24    20 S   CT   _CB2    32     1.53828   111.44352   104.54316
   25    24 S   HC   HB21    33     1.09312   108.79985    56.74824
   26    24 S   HC   HB22    34     1.09388   110.01121   175.57287
   27    22 S   N    _N3_    24     1.38517   113.30158    41.40209
   28    27 S   H    _HN3    25     1.01536   118.89907    -0.58717
   29    24 S   S    _SG2    35     1.82736   110.74104   -64.47879
   30    27 S   CT   _CA3    26     1.45447   123.42161   175.04924
   31    30 S   HC   HA31    27     1.09525   109.19267    25.07518
   32    30 S   HC   HA32    28     1.09493   107.12878   142.08077
   33    29 S   CT   _C9_    36     1.85861   103.82204   172.05083
   34    30 S   CO3  _C3_    29     1.52933   113.16611   -98.36648
   35    34 S   O2Z  _O31    30     1.26399   115.43600   -43.54954
   36    34 S   O2Z  _O32    31     1.26360   114.96095   137.39337
   37    33 S   CT   _C8_    37     1.57180   112.62842   -49.30471
   38    37 S   HC   _H13    38     1.10047   107.80059   179.90309
   39    37 S   HC   _H14    39     1.09817   109.00985    67.94884
   40    33 S   CT   _C10    55     1.60127   110.84575  -175.07300
   41    40 S   HC   _H3_    56     1.09336   106.57515   152.35720
   42    33 S   CT   _C22    87     1.55279   106.47126    66.03849
   43    42 S   HC   _H31    88     1.09627   112.42612    53.75832
   44    42 S   HC   _H32    89     1.09562   112.30992   -67.36405
   45    42 S   HC   _H33    90     1.09693   110.48827   174.00711
   46    37 S   CT   _C7_    40     1.53970   120.38923   -55.55224
   47    46 S   HC   _H11    41     1.09679   108.28789   172.74358
   48    46 S   HC   _H12    42     1.09234   109.80594    56.61259
   49    40 S   OH   _O37    57     1.43750   109.56640   -94.87659
   50    49 S   HO   _H30    58     0.97369   106.83802    75.37720
   51    46 S   CM   _C6_    43     1.49420   111.26735   -68.95860
   52    51 S   HC   _H10    44     1.08802   114.10774   -43.65339
   53    51 S   CM   _C5_    45     1.34472   127.11852   129.22347
   54    53 S   CT   _C14    46     1.51170   120.23175  -161.75250
   55    54 S   HC   _H15    47     1.09909   109.38017   160.96788
   56    54 S   HC   _H16    48     1.09777   107.77108   -86.01141
   57    53 S   CT   _C4_    83     1.50437   124.50722    13.31113
   58    57 S   HC   _H7_    84     1.09547   109.76086   131.74337
   59    57 S   HC   _H8_    85     1.09289   113.09153    12.91644
   60    57 S   HC   _H9_    86     1.09398   110.63334  -108.72812
   61    54 S   CT   _C13    49     1.55775   117.29119    38.92685
   62    61 S   HC   _H6_    50     1.09442   111.15570   -55.28474
   63    61 S   CT   _C12    51     1.57002   115.06599    69.14936
   64    63 S   HC   _H5_    52     1.09998   104.91581    53.72023
   65    61 S   OS   _O33    76     1.45467   105.37467  -172.38258
   66    63 S   CT   _C11    53     1.57626   114.97089   -60.80917
   67    66 S   HC   _H4_    54     1.08585   108.50118    54.20556
   68    63 S   CT   _C17    66     1.57530   114.54081   167.49555
   69    68 S   HC   _H20    67     1.09633   108.31500   156.91445
   70    65 S   CO4  _C15    77     1.36347   117.74481    84.63232
   71    70 S   O    _O34    78     1.22309   126.40994     0.10835
   72    66 S   OS   _O35    59     1.46144   108.15050   169.24025
   73    68 S   CT   _C18    68     1.53660   111.95593   -88.18996
   74    73 S   HC   _H21    69     1.09270   112.50517    66.42643
   75    73 S   HC   _H22    70     1.09518   110.81461   -54.84592
   76    73 S   HC   _H23    71     1.09580   110.37353  -173.59807
   77    68 S   CT   _C19    72     1.53196   115.19061    37.51722
   78    77 S   HC   _H24    73     1.09326   112.20307   -72.69963
   79    77 S   HC   _H25    74     1.09603   110.01392   168.48832
   80    77 S   HC   _H26    75     1.09180   112.22135    49.13372
   81    70 S   CT   _C16    79     1.49820   109.46429   179.79347
   82    81 S   HC   _H17    80     1.09286   109.79003   -62.62386
   83    81 S   HC   _H18    81     1.09375   109.36381   178.24208
   84    81 S   HC   _H19    82     1.09293   109.85018    59.27618
   85    72 S   CO4  _C20    60     1.36354   118.14539   -82.31077
   86    85 S   O    _O36    61     1.22300   126.54272     1.05832
   87    85 S   CT   _C21    62     1.49792   109.41308  -178.85295
   88    87 S   HC   _H27    63     1.09288   109.81518   -60.87306
   89    87 S   HC   _H28    64     1.09377   109.35127  -179.93147
   90    87 S   HC   _H29    65     1.09291   109.81929    61.04766
  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  13   5   4   3
  19   2   1   1  16   7   6  16   7   6   2   1   1   7   4   3
   5   1  10   3  11  14   6   5   4   2   1   1  14   6  17   8
   8   9   3  10   8   5   4   6   7   3   2   1   3   2   1   1
   3   2   1   1   5   4   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    66    40    41    49    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    51    63    66    67    40    41    49    50    72    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    51    52    53    66    40    41    49    42    43    44    45  
   39    46    47    48    51    40    42  
   46    47    48    51    40    42  
   41    49    50    72    85    68    42    43    44    45    46    61    63    64    66    67  
   49    50    72    42    63    66    67  
   43    44    45    46    49    66  
   44    45  
   45  
    0  
   47    48    51    52    53    54    57  
   48    51    52    53  
   51    52    53  
   50    72    63    66    67  
   66  
   52    53    54    55    56    61    57    58    59    60  
   53    54    57  
   54    55    56    61    62    63    65    57    58    59    60  
   55    56    61    62    63    64    66    68    65    70    57    58    59    60  
   56    61    62    63    65    57  
   61    62    63    65    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    66    67    72    68    69    73    77    65    70    71    81  
   63    64    66    68    65    70  
   64    66    67    72    85    68    69    73    74    75    76    77    78    79    80    65    70  
   66    67    72    68    69    73    77    65  
   70    71    81    82    83    84    66    68  
   67    72    85    86    87    68    69    73    77  
   72    85    68  
   69    73    74    75    76    77    78    79    80    72  
   73    74    75    76    77    78    79    80  
   71    81    82    83    84  
   81    82    83    84  
   85    86    87    88    89    90  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    90  
   87    88    89    90  
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   317.000  1.510
   53    57   317.000  1.510
   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   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    68   268.000  1.529
   66    67   340.000  1.090
   66    40   268.000  1.529
   66    72   320.000  1.410
   40    41   340.000  1.090
   40    49   320.000  1.410
   49    50   553.000  0.945
   72    85   214.000  1.327
   85    86   570.000  1.229
   85    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   68    69   340.000  1.090
   68    73   268.000  1.529
   68    77   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   65    70   214.000  1.327
   70    71   570.000  1.229
   70    81   317.000  1.522
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    66    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    49    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    70.00000  112.02700
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    51    52    35.00000  117.00000
   46    51    53    70.00000  124.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    53    54    70.00000  124.00000
   51    53    57    70.00000  124.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   53    54    61    70.00000  112.02700
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    58.35000  112.70000
   54    61    65    50.00000  109.50000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    66    58.35000  112.70000
   61    63    68    58.35000  112.70000
   61    65    70    83.00000  116.90000
   63    61    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    40    58.35000  112.70000
   63    66    72    50.00000  109.50000
   63    68    69    37.50000  110.70000
   63    68    73    58.35000  112.70000
   63    68    77    58.35000  112.70000
   66    63    64    37.50000  110.70000
   66    40    41    37.50000  110.70000
   66    40    49    50.00000  109.50000
   66    72    85    83.00000  116.90000
   40    33    37    58.35000  112.70000
   40    66    67    37.50000  110.70000
   40    49    50    55.00000  108.50000
   49    40    41    35.00000  109.50000
   72    66    67    35.00000  109.50000
   72    66    40    50.00000  109.50000
   72    85    86    83.00000  123.40000
   72    85    87    81.00000  111.40000
   85    87    88    35.00000  109.50000
   85    87    89    35.00000  109.50000
   85    87    90    35.00000  109.50000
   87    85    86    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    66    58.35000  112.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   68    77    78    37.50000  110.70000
   68    77    79    37.50000  110.70000
   68    77    80    37.50000  110.70000
   73    68    69    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    69    37.50000  110.70000
   77    68    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   65    70    71    83.00000  123.40000
   65    70    81    81.00000  111.40000
   70    81    82    35.00000  109.50000
   70    81    83    35.00000  109.50000
   70    81    84    35.00000  109.50000
   81    70    71    80.00000  120.40000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   57    53    54    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    66   0.44750  1.0 1.0
   29    33    40    66  -0.17800 -1.0 2.0
   29    33    40    66   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    49   0.56750  1.0 1.0
   29    33    40    49  -0.07550 -1.0 2.0
   29    33    40    49   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    51   0.34400  1.0 1.0
   33    37    46    51   0.09450 -1.0 2.0
   33    37    46    51   0.11100  1.0 3.0
   33    40    49    50  -0.11600  1.0 1.0
   33    40    49    50  -0.09450 -1.0 2.0
   33    40    49    50   0.21250  1.0 3.0
   37    33    40    66   0.56750  1.0 1.0
   37    33    40    66  -0.07550 -1.0 2.0
   37    33    40    66   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    49   0.86500  1.0 1.0
   37    33    40    49  -0.17500 -1.0 2.0
   37    33    40    49   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    51    52   0.00000  1.0 1.0
   37    46    51    53   0.09850  1.0 1.0
   37    46    51    53   0.15250 -1.0 2.0
   37    46    51    53  -0.50650  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    51   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    51   0.15000  1.0 3.0
   46    51    53    54   7.00000 -1.0 2.0
   46    51    53    57   7.00000 -1.0 2.0
   47    46    51    52   0.33100  1.0 3.0
   47    46    51    53   0.00000  1.0 1.0
   48    46    51    52   0.33100  1.0 3.0
   48    46    51    53   0.00000  1.0 1.0
   51    53    54    55   0.00000  1.0 1.0
   51    53    54    56   0.00000  1.0 1.0
   51    53    54    61   0.09850  1.0 1.0
   51    53    54    61   0.15250 -1.0 2.0
   51    53    54    61  -0.50650  1.0 3.0
   51    53    57    58   0.00000  1.0 1.0
   51    53    57    59   0.00000  1.0 1.0
   51    53    57    60   0.00000  1.0 1.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    57   7.00000 -1.0 2.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.34400  1.0 1.0
   53    54    61    63   0.09450 -1.0 2.0
   53    54    61    63   0.11100  1.0 3.0
   53    54    61    65   0.61850  1.0 1.0
   53    54    61    65  -0.22750 -1.0 2.0
   53    54    61    65   0.15300  1.0 3.0
   54    53    57    58   0.34800  1.0 3.0
   54    53    57    59   0.34800  1.0 3.0
   54    53    57    60   0.34800  1.0 3.0
   54    61    63    64   0.15000  1.0 3.0
   54    61    63    66   0.56750  1.0 1.0
   54    61    63    66  -0.07550 -1.0 2.0
   54    61    63    66   0.20000  1.0 3.0
   54    61    63    68   0.56750  1.0 1.0
   54    61    63    68  -0.07550 -1.0 2.0
   54    61    63    68   0.20000  1.0 3.0
   54    61    65    70  -0.25900  1.0 1.0
   54    61    65    70  -0.47000 -1.0 2.0
   54    61    65    70   0.11750  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    65   0.23400  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    65   0.23400  1.0 3.0
   61    63    66    67   0.15000  1.0 3.0
   61    63    66    40   0.56750  1.0 1.0
   61    63    66    40  -0.07550 -1.0 2.0
   61    63    66    40   0.20000  1.0 3.0
   61    63    66    72   0.62750  1.0 1.0
   61    63    66    72  -0.30950 -1.0 2.0
   61    63    66    72   0.27300  1.0 3.0
   61    63    68    69   0.15000  1.0 3.0
   61    63    68    73   0.56750  1.0 1.0
   61    63    68    73  -0.07550 -1.0 2.0
   61    63    68    73   0.20000  1.0 3.0
   61    63    68    77   0.56750  1.0 1.0
   61    63    68    77  -0.07550 -1.0 2.0
   61    63    68    77   0.20000  1.0 3.0
   61    65    70    71   3.00000 -1.0 2.0
   61    65    70    81   1.63150  1.0 1.0
   61    65    70    81   2.92000 -1.0 2.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    68   0.15000  1.0 3.0
   62    61    65    70   0.08050  1.0 3.0
   63    61    65    70  -0.25900  1.0 1.0
   63    61    65    70  -0.47000 -1.0 2.0
   63    61    65    70   0.11750  1.0 3.0
   63    66    40    33   0.56750  1.0 1.0
   63    66    40    33  -0.07550 -1.0 2.0
   63    66    40    33   0.20000  1.0 3.0
   63    66    40    41   0.15000  1.0 3.0
   63    66    40    49   0.86500  1.0 1.0
   63    66    40    49  -0.17500 -1.0 2.0
   63    66    40    49   0.20800  1.0 3.0
   63    66    72    85  -0.25900  1.0 1.0
   63    66    72    85  -0.47000 -1.0 2.0
   63    66    72    85   0.11750  1.0 3.0
   63    68    73    74   0.15000  1.0 3.0
   63    68    73    75   0.15000  1.0 3.0
   63    68    73    76   0.15000  1.0 3.0
   63    68    77    78   0.15000  1.0 3.0
   63    68    77    79   0.15000  1.0 3.0
   63    68    77    80   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    40   0.15000  1.0 3.0
   64    63    66    72   0.23400  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    73   0.15000  1.0 3.0
   64    63    68    77   0.15000  1.0 3.0
   66    63    68    69   0.15000  1.0 3.0
   66    63    68    73   0.56750  1.0 1.0
   66    63    68    73  -0.07550 -1.0 2.0
   66    63    68    73   0.20000  1.0 3.0
   66    63    68    77   0.56750  1.0 1.0
   66    63    68    77  -0.07550 -1.0 2.0
   66    63    68    77   0.20000  1.0 3.0
   66    40    49    50  -0.11600  1.0 1.0
   66    40    49    50  -0.09450 -1.0 2.0
   66    40    49    50   0.21250  1.0 3.0
   66    72    85    86   3.00000 -1.0 2.0
   66    72    85    87   1.63150  1.0 1.0
   66    72    85    87   2.92000 -1.0 2.0
   67    66    40    33   0.15000  1.0 3.0
   67    66    40    41   0.15000  1.0 3.0
   67    66    40    49   0.23400  1.0 3.0
   67    66    72    85   0.08050  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   40    66    72    85  -0.25900  1.0 1.0
   40    66    72    85  -0.47000 -1.0 2.0
   40    66    72    85   0.11750  1.0 3.0
   41    40    49    50   0.19450  1.0 3.0
   72    66    40    33   0.62750  1.0 1.0
   72    66    40    33  -0.30950 -1.0 2.0
   72    66    40    33   0.27300  1.0 3.0
   72    66    40    41   0.23400  1.0 3.0
   72    66    40    49   3.69350  1.0 1.0
   72    66    40    49  -1.82950 -1.0 2.0
   72    85    87    88   0.00000  1.0 1.0
   72    85    87    89   0.00000  1.0 1.0
   72    85    87    90   0.00000  1.0 1.0
   86    85    87    88   0.00000  1.0 1.0
   86    85    87    89   0.00000  1.0 1.0
   86    85    87    90   0.00000  1.0 1.0
   68    63    66    67   0.15000  1.0 3.0
   68    63    66    40   0.56750  1.0 1.0
   68    63    66    40  -0.07550 -1.0 2.0
   68    63    66    40   0.20000  1.0 3.0
   68    63    66    72   0.62750  1.0 1.0
   68    63    66    72  -0.30950 -1.0 2.0
   68    63    66    72   0.27300  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   69    68    77    78   0.15000  1.0 3.0
   69    68    77    79   0.15000  1.0 3.0
   69    68    77    80   0.15000  1.0 3.0
   73    68    77    78   0.15000  1.0 3.0
   73    68    77    79   0.15000  1.0 3.0
   73    68    77    80   0.15000  1.0 3.0
   77    68    73    74   0.15000  1.0 3.0
   77    68    73    75   0.15000  1.0 3.0
   77    68    73    76   0.15000  1.0 3.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    66   0.62750  1.0 1.0
   65    61    63    66  -0.30950 -1.0 2.0
   65    61    63    66   0.27300  1.0 3.0
   65    61    63    68   0.62750  1.0 1.0
   65    61    63    68  -0.30950 -1.0 2.0
   65    61    63    68   0.27300  1.0 3.0
   65    70    81    82   0.00000  1.0 1.0
   65    70    81    83   0.00000  1.0 1.0
   65    70    81    84   0.00000  1.0 1.0
   71    70    81    82   0.00000  1.0 1.0
   71    70    81    83   0.00000  1.0 1.0
   71    70    81    84   0.00000  1.0 1.0
   57    53    54    55   0.34800  1.0 3.0
   57    53    54    56   0.34800  1.0 3.0
   57    53    54    61   0.46850  1.0 1.0
   57    53    54    61   0.08550 -1.0 2.0
   57    53    54    61   0.09800  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    66   0.56750  1.0 1.0
   42    33    40    66  -0.07550 -1.0 2.0
   42    33    40    66   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    49   0.86500  1.0 1.0
   42    33    40    49  -0.17500 -1.0 2.0
   42    33    40    49   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
   46    52    51    53   1.10000 -1.0 2.0
   54    57    53    51   1.10000 -1.0 2.0
   72    87    85    86  10.50000 -1.0 2.0
   65    81    70    71  10.50000 -1.0 2.0
END
