* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    171    262     510
    1     0 S   NP   _N1_     1    28.76688    94.87818   -20.20284
    2     1 S   H    _HN1     2     1.02775    82.13347   -98.19915
    3     1 S   H    _H1_     3     1.02950    88.93388    10.47029
    4     1 S   H    _H2_     4     1.02833    38.83343   130.05119
    5     1 S   CT   _CA1     5     1.50144   149.18839   141.05818
    6     5 S   HC   _HA1     6     1.09567   105.26878    52.15241
    7     5 S   CO3  _C1_     7     1.53943   112.01229   -68.17218
    8     7 S   O2Z  _O11     8     1.26398   115.00300   -49.29145
    9     7 S   O2Z  _O12     9     1.26204   114.99040   129.45215
   10     5 S   CT   _CB1    10     1.53103   107.38121   170.16693
   11    10 S   HC   HB11    11     1.09821   109.82735   -48.00932
   12    10 S   HC   HB12    12     1.09811   110.29292    68.70905
   13    10 S   CT   _CG1    13     1.52943   112.35795  -168.88210
   14    13 S   HC   HG11    14     1.09511   110.31860   -57.41268
   15    13 S   HC   HG12    15     1.09610   109.95395    61.77128
   16    13 S   C    _CD1    16     1.51763   112.33713  -177.36389
   17    16 S   O    _OE1    17     1.22760   123.19457    -1.49305
   18    16 S   N    _N2_    18     1.38559   111.68675   177.77859
   19    18 S   H    _HN2    19     1.02017   118.81227     5.46533
   20    18 S   CT1  _CA2    20     1.46109   123.46661  -175.21898
   21    20 S   HC   _HA2    21     1.09736   109.12729   -16.32629
   22    20 S   C    _C2_    22     1.53441   109.09806  -132.17418
   23    22 S   O    _O2_    23     1.23070   122.08545  -150.04198
   24    20 S   CT   _CB2    32     1.53572   111.42675   105.44770
   25    24 S   HC   HB21    33     1.09583   109.67120    55.74623
   26    24 S   HC   HB22    34     1.09456   110.41246   174.68629
   27    22 S   N    _N3_    24     1.38414   113.57776    37.81541
   28    27 S   H    _HN3    25     1.01530   118.90511    -3.33695
   29    24 S   S    _SG2    35     1.82828   111.93104   -65.11609
   30    27 S   CT   _CA3    26     1.45392   123.33784   174.96826
   31    30 S   HC   HA31    27     1.09541   108.94409    29.43017
   32    30 S   HC   HA32    28     1.09492   107.19042   146.32797
   33    29 S   CT   _C11    36     1.84352    99.73286   171.54667
   34    33 S   HC   _H3_    37     1.09413   106.55683   -31.40184
   35    30 S   CO3  _C3_    29     1.52948   113.33818   -93.87466
   36    35 S   O2Z  _O31    30     1.26402   115.55236   -43.43364
   37    35 S   O2Z  _O32    31     1.26398   114.95214   137.53125
   38    33 S   CT   _C12    38     1.55379   112.44261  -148.73663
   39    38 S   HC   _H4_    39     1.10023   106.43764   178.70850
   40    33 S   CT   _C10    72     1.53590   108.31139    85.55323
   41    40 S   HC   _H19    73     1.09691   111.36828   -52.45960
   42    40 S   HC   _H20    74     1.09671   111.12056    66.26974
   43    38 S   CT   _C16    40     1.55031   115.03501    60.04199
   44    43 S   HC   _H7_    41     1.09756   110.06143   -49.05382
   45    40 S   CO4  _C9_    75     1.52078   113.29238  -171.95511
   46    45 S   O    _O33    76     1.23127   120.61311  -121.36227
   47    43 S   CT   _C15    42     1.53456   102.40347  -163.21300
   48    47 S   HC   _H6_    43     1.09450   112.37755   163.55438
   49    43 S   CT   _C17    53     1.53449   112.69155    72.76036
   50    49 S   HC   _H23    54     1.09698   110.80361    60.09475
   51    49 S   HC   _H24    55     1.09502   110.03294   -55.66007
   52    45 S   CT   _C8_    77     1.52059   117.16656    59.60271
   53    52 S   HC   _H17    78     1.09569   108.04597    44.73151
   54    52 S   HC   _H18    79     1.09493   108.27490   -72.83836
   55    47 S   CT   _C14    44     1.52641   103.18961    42.79927
   56    55 S   HC   _H21    45     1.09669   108.74829    82.87237
   57    55 S   HC   _H22    46     1.09455   112.43605  -156.55567
   58    47 S   OH   _O36    51     1.42244   111.03445   -74.80718
   59    58 S   HO   _H33    52     0.97233   107.47358   176.09736
   60    49 S   CM   _C18    56     1.50257   112.44079  -178.50787
   61    60 S   HC   _H25    57     1.08819   116.01023   -83.03900
   62    52 S   CT   _C7_    80     1.52728   112.35445   165.76004
   63    62 S   HC   _H15    81     1.09715   109.64112   -56.99708
   64    62 S   HC   _H16    82     1.09714   109.68957    59.89256
   65    38 S   CT   _C13    47     1.54522   115.64841   -61.55900
   66    65 S   HC   _H5_    48     1.09372   113.43454    21.01291
   67    60 S   CM   _C19    58     1.34222   126.17327    98.63491
   68    67 S   HC   _H26    59     1.08846   117.83031   178.32719
   69    62 S   CT   _C6_    83     1.52910   111.31052  -178.63026
   70    69 S   HC   _H13    84     1.09687   109.56285   -58.52358
   71    69 S   HC   _H14    85     1.09684   109.57986    58.74238
   72    65 S   OH   _O37    49     1.42336   109.11435   -98.60192
   73    72 S   HO   _H34    50     0.97229   107.54244  -178.93210
   74    67 S   CT   _C20    60     1.50187   126.40331    -3.61037
   75    74 S   HC   _H27    61     1.09613   107.81113  -137.52098
   76    74 S   HC   _H28    62     1.09557   111.10238   -21.80531
   77    69 S   CT   _C5_    86     1.52841   111.33299  -179.89165
   78    77 S   HC   _H11    87     1.09622   109.86506   -58.86918
   79    77 S   HC   _H12    88     1.09622   109.86753    58.85989
   80    74 S   CT   _C21    63     1.53072   111.58998   101.54592
   81    80 S   HC   _H29    64     1.09729   109.70162    61.75464
   82    80 S   HC   _H30    65     1.09746   109.46088   -55.03277
   83    77 S   CT   _C4_    89     1.52036   111.49271   180.00000
   84    83 S   HC   _H8_    90     1.09469   111.00073   -60.25964
   85    83 S   HC   _H9_    91     1.09469   111.00094    60.26002
   86    83 S   HC   _H10    92     1.09449   110.26153   180.00000
   87    80 S   CT   _C22    66     1.52581   112.33949  -175.29801
   88    87 S   HC   _H31    67     1.09662   109.50285   173.23885
   89    87 S   HC   _H32    68     1.09629   110.48742    55.84487
   90    87 S   CO3  _C23    69     1.52756   111.41519   -67.22392
   91    90 S   O2Z  _O35    70     1.26249   115.33406   -71.27829
   92    90 S   O2Z  _O34    71     1.26337   114.79474   109.10692
  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  10   5   4   3
  17   8   2   1   1  21   9  10   4   3  17   9   8   4  13   7
  10   4   3   9   5   4   8   5   4   2   1   7   3   9   5   4
   3   2   8   4   9   5   4   1   1   9   5   4   6   5   4   8
   5   4   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    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    43    65    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    55    65    66    72    49    40    41    42    45    46    52  
   38    39    43    65    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    55    56    57    65    66    72    73    58    49    50    51    60    40    41    42    45  
   43    44    47    55    65    66    72    49    40  
   41    42    45    46    52    53    54    62    43    65  
   42    45    46    52  
   45    46    52  
   44    47    48    55    56    57    65    66    72    58    59    49    50    51    60    61    67  
   47    48    55    65    58    49    50    51    60  
   46    52    53    54    62    63    64    69  
   52    53    54    62  
   48    55    56    57    65    66    72    58    59    49    50    51    60  
   55    56    57    65    58    59    49  
   50    51    60    61    67    68    74    55    58    65  
   51    60    61    67  
   60    61    67  
   53    54    62    63    64    69    70    71    77  
   54    62    63    64    69  
   62    63    64    69  
   56    57    65    66    72    73    58    59  
   57    65    66    72    58  
   65    66    72    58  
   59    65  
    0  
   61    67    68    74    75    76    80  
   67    68    74  
   63    64    69    70    71    77    78    79    83  
   64    69    70    71    77  
   69    70    71    77  
   66    72    73  
   72    73  
   68    74    75    76    80    81    82    87  
   74    75    76    80  
   70    71    77    78    79    83    84    85    86  
   71    77    78    79    83  
   77    78    79    83  
   73  
    0  
   75    76    80    81    82    87    88    89    90  
   76    80    81    82    87  
   80    81    82    87  
   78    79    83    84    85    86  
   79    83    84    85    86  
   83    84    85    86  
   81    82    87    88    89    90    91    92  
   82    87    88    89    90  
   87    88    89    90  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    43   268.000  1.529
   38    65   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   268.000  1.529
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    65   268.000  1.529
   65    66   340.000  1.090
   65    72   320.000  1.410
   72    73   553.000  0.945
   58    59   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    60   317.000  1.510
   60    61   340.000  1.080
   60    67   549.000  1.340
   67    68   340.000  1.080
   67    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   317.000  1.522
   90    91   656.000  1.250
   90    92   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    38    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    47    58.35000  112.70000
   38    43    49    58.35000  112.70000
   38    65    55    58.35000  112.70000
   38    65    66    37.50000  110.70000
   38    65    72    50.00000  109.50000
   43    38    39    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    55    58.35000  112.70000
   43    47    58    50.00000  109.50000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    60    70.00000  112.02700
   47    43    44    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   47    55    65    58.35000  112.70000
   47    58    59    55.00000  108.50000
   55    47    48    37.50000  110.70000
   55    65    66    37.50000  110.70000
   55    65    72    50.00000  109.50000
   57    55    56    33.00000  107.80000
   65    38    39    37.50000  110.70000
   65    38    43    58.35000  112.70000
   65    55    56    37.50000  110.70000
   65    55    57    37.50000  110.70000
   65    72    73    55.00000  108.50000
   72    65    66    35.00000  109.50000
   58    47    48    35.00000  109.50000
   58    47    55    50.00000  109.50000
   49    43    44    37.50000  110.70000
   49    43    47    58.35000  112.70000
   49    60    61    35.00000  117.00000
   49    60    67    70.00000  124.00000
   51    49    50    33.00000  107.80000
   60    49    50    35.00000  109.50000
   60    49    51    35.00000  109.50000
   60    67    68    35.00000  120.00000
   60    67    74    70.00000  124.00000
   67    60    61    35.00000  120.00000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    80    70.00000  112.02700
   74    67    68    35.00000  117.00000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    87    58.35000  112.70000
   76    74    75    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    87    88    37.50000  110.70000
   80    87    89    37.50000  110.70000
   80    87    90    70.00000  109.69300
   82    80    81    33.00000  107.80000
   87    80    81    37.50000  110.70000
   87    80    82    37.50000  110.70000
   87    90    91    70.00000  117.00000
   87    90    92    70.00000  117.00000
   89    87    88    33.00000  107.80000
   90    87    88    35.00000  109.50000
   90    87    89    35.00000  109.50000
   92    90    91    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    45    46    80.00000  120.40000
   40    45    52    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    62    63.00000  111.10000
   52    45    46    80.00000  120.40000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    69    58.35000  112.70000
   54    52    53    33.00000  107.80000
   62    52    53    37.50000  110.70000
   62    52    54    37.50000  110.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    77    58.35000  112.70000
   64    62    63    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    64    37.50000  110.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    83    58.35000  112.70000
   71    69    70    33.00000  107.80000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    37.50000  110.70000
   79    77    78    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    38    65   0.44750  1.0 1.0
   29    33    38    65  -0.17800 -1.0 2.0
   29    33    38    65   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47   0.56750  1.0 1.0
   33    38    43    47  -0.07550 -1.0 2.0
   33    38    43    47   0.20000  1.0 3.0
   33    38    43    49   0.56750  1.0 1.0
   33    38    43    49  -0.07550 -1.0 2.0
   33    38    43    49   0.20000  1.0 3.0
   33    38    65    55   0.56750  1.0 1.0
   33    38    65    55  -0.07550 -1.0 2.0
   33    38    65    55   0.20000  1.0 3.0
   33    38    65    66   0.15000  1.0 3.0
   33    38    65    72   0.86500  1.0 1.0
   33    38    65    72  -0.17500 -1.0 2.0
   33    38    65    72   0.20800  1.0 3.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    52   0.60050  1.0 1.0
   33    40    45    52   0.05600 -1.0 2.0
   33    40    45    52   0.26150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    65   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.95700  1.0 1.0
   38    33    40    45  -0.18200 -1.0 2.0
   38    33    40    45   0.29450  1.0 3.0
   38    43    47    48   0.15000  1.0 3.0
   38    43   -47    55   0.56750  1.0 1.0
   38    43   -47    55  -0.07550 -1.0 2.0
   38    43   -47    55   0.20000  1.0 3.0
   38    43    47    58   0.86500  1.0 1.0
   38    43    47    58  -0.17500 -1.0 2.0
   38    43    47    58   0.20800  1.0 3.0
   38    43    49    50   0.15000  1.0 3.0
   38    43    49    51   0.15000  1.0 3.0
   38    43    49    60   0.34400  1.0 1.0
   38    43    49    60   0.09450 -1.0 2.0
   38    43    49    60   0.11100  1.0 3.0
   38    65    72    73  -0.11600  1.0 1.0
   38    65    72    73  -0.09450 -1.0 2.0
   38    65    72    73   0.21250  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47   0.15000  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   39    38    65    55   0.15000  1.0 3.0
   39    38    65    66   0.15000  1.0 3.0
   39    38    65    72   0.23400  1.0 3.0
   43    38   -65    55   0.56750  1.0 1.0
   43    38   -65    55  -0.07550 -1.0 2.0
   43    38   -65    55   0.20000  1.0 3.0
   43    38    65    66   0.15000  1.0 3.0
   43    38    65    72   0.86500  1.0 1.0
   43    38    65    72  -0.17500 -1.0 2.0
   43    38    65    72   0.20800  1.0 3.0
   43    47    55    56   0.15000  1.0 3.0
   43    47    55    57   0.15000  1.0 3.0
   43    47   -55    65   0.56750  1.0 1.0
   43    47   -55    65  -0.07550 -1.0 2.0
   43    47   -55    65   0.20000  1.0 3.0
   43    47    58    59  -0.11600  1.0 1.0
   43    47    58    59  -0.09450 -1.0 2.0
   43    47    58    59   0.21250  1.0 3.0
   43    49    60    61   0.00000  1.0 1.0
   43    49    60    67   0.09850  1.0 1.0
   43    49    60    67   0.15250 -1.0 2.0
   43    49    60    67  -0.50650  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    55   0.15000  1.0 3.0
   44    43    47    58   0.23400  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    60   0.15000  1.0 3.0
   47    43    49    50   0.15000  1.0 3.0
   47    43    49    51   0.15000  1.0 3.0
   47    43    49    60   0.34400  1.0 1.0
   47    43    49    60   0.09450 -1.0 2.0
   47    43    49    60   0.11100  1.0 3.0
   47    55   -65    38   0.56750  1.0 1.0
   47    55   -65    38  -0.07550 -1.0 2.0
   47    55   -65    38   0.20000  1.0 3.0
   47    55    65    66   0.15000  1.0 3.0
   47    55    65    72   0.86500  1.0 1.0
   47    55    65    72  -0.17500 -1.0 2.0
   47    55    65    72   0.20800  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    57   0.15000  1.0 3.0
   48    47    55    65   0.15000  1.0 3.0
   48    47    58    59   0.19450  1.0 3.0
   55    47    58    59  -0.11600  1.0 1.0
   55    47    58    59  -0.09450 -1.0 2.0
   55    47    58    59   0.21250  1.0 3.0
   55    65    72    73  -0.11600  1.0 1.0
   55    65    72    73  -0.09450 -1.0 2.0
   55    65    72    73   0.21250  1.0 3.0
   56    55    65    38   0.15000  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    72   0.23400  1.0 3.0
   57    55    65    38   0.15000  1.0 3.0
   57    55    65    66   0.15000  1.0 3.0
   57    55    65    72   0.23400  1.0 3.0
   65    38    43    44   0.15000  1.0 3.0
   65    38   -43    47   0.56750  1.0 1.0
   65    38   -43    47  -0.07550 -1.0 2.0
   65    38   -43    47   0.20000  1.0 3.0
   65    38    43    49   0.56750  1.0 1.0
   65    38    43    49  -0.07550 -1.0 2.0
   65    38    43    49   0.20000  1.0 3.0
   66    65    72    73   0.19450  1.0 3.0
   58    47    55    56   0.23400  1.0 3.0
   58    47    55    57   0.23400  1.0 3.0
   58    47    55    65   0.86500  1.0 1.0
   58    47    55    65  -0.17500 -1.0 2.0
   58    47    55    65   0.20800  1.0 3.0
   49    43    47    48   0.15000  1.0 3.0
   49    43    47    55   0.56750  1.0 1.0
   49    43    47    55  -0.07550 -1.0 2.0
   49    43    47    55   0.20000  1.0 3.0
   49    43    47    58   0.86500  1.0 1.0
   49    43    47    58  -0.17500 -1.0 2.0
   49    43    47    58   0.20800  1.0 3.0
   49    60    67    68   7.00000 -1.0 2.0
   49    60    67    74   7.00000 -1.0 2.0
   50    49    60    61   0.33100  1.0 3.0
   50    49    60    67   0.00000  1.0 1.0
   51    49    60    61   0.33100  1.0 3.0
   51    49    60    67   0.00000  1.0 1.0
   60    67    74    75   0.00000  1.0 1.0
   60    67    74    76   0.00000  1.0 1.0
   60    67    74    80   0.09850  1.0 1.0
   60    67    74    80   0.15250 -1.0 2.0
   60    67    74    80  -0.50650  1.0 3.0
   61    60    67    68   7.00000 -1.0 2.0
   61    60    67    74   7.00000 -1.0 2.0
   67    74    80    81   0.15000  1.0 3.0
   67    74    80    82   0.15000  1.0 3.0
   67    74    80    87   0.34400  1.0 1.0
   67    74    80    87   0.09450 -1.0 2.0
   67    74    80    87   0.11100  1.0 3.0
   68    67    74    75   0.33100  1.0 3.0
   68    67    74    76   0.33100  1.0 3.0
   68    67    74    80   0.00000  1.0 1.0
   74    80    87    88   0.15000  1.0 3.0
   74    80    87    89   0.15000  1.0 3.0
   74    80    87    90  -1.63150  1.0 1.0
   74    80    87    90  -0.43550 -1.0 2.0
   74    80    87    90   0.24500  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    87   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    87   0.15000  1.0 3.0
   80    87    90    91   0.41150 -1.0 2.0
   80    87    90    92   0.41150 -1.0 2.0
   81    80    87    88   0.15000  1.0 3.0
   81    80    87    89   0.15000  1.0 3.0
   81    80    87    90  -0.11250  1.0 3.0
   82    80    87    88   0.15000  1.0 3.0
   82    80    87    89   0.15000  1.0 3.0
   82    80    87    90  -0.11250  1.0 3.0
   88    87    90    91   0.00000  1.0 1.0
   88    87    90    92   0.00000  1.0 1.0
   89    87    90    91   0.00000  1.0 1.0
   89    87    90    92   0.00000  1.0 1.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   40    33    38    65   0.56750  1.0 1.0
   40    33    38    65  -0.07550 -1.0 2.0
   40    33    38    65   0.20000  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    62   0.60050  1.0 1.0
   40    45    52    62   0.05600 -1.0 2.0
   40    45    52    62   0.26150  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    52   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    52   0.00000  1.0 1.0
   45    52    62    63  -0.11250  1.0 3.0
   45    52    62    64  -0.11250  1.0 3.0
   45    52    62    69  -0.95700  1.0 1.0
   45    52    62    69  -0.18200 -1.0 2.0
   45    52    62    69   0.29450  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    62   0.30150 -1.0 2.0
   52    62    69    70   0.15000  1.0 3.0
   52    62    69    71   0.15000  1.0 3.0
   52    62    69    77   0.56750  1.0 1.0
   52    62    69    77  -0.07550 -1.0 2.0
   52    62    69    77   0.20000  1.0 3.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    64   0.15000  1.0 3.0
   53    52    62    69   0.15000  1.0 3.0
   54    52    62    63   0.15000  1.0 3.0
   54    52    62    64   0.15000  1.0 3.0
   54    52    62    69   0.15000  1.0 3.0
   62    69    77    78   0.15000  1.0 3.0
   62    69    77    79   0.15000  1.0 3.0
   62    69    77    83   0.56750  1.0 1.0
   62    69    77    83  -0.07550 -1.0 2.0
   62    69    77    83   0.20000  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    77   0.15000  1.0 3.0
   64    62    69    70   0.15000  1.0 3.0
   64    62    69    71   0.15000  1.0 3.0
   64    62    69    77   0.15000  1.0 3.0
   69    77    83    84   0.15000  1.0 3.0
   69    77    83    85   0.15000  1.0 3.0
   69    77    83    86   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    83   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    79   0.15000  1.0 3.0
   71    69    77    83   0.15000  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    86   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   79    77    83    86   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   49    61    60    67  15.00000 -1.0 2.0
   74    68    67    60  15.00000 -1.0 2.0
   91    87    90    92  10.50000 -1.0 2.0
   40    52    45    46  10.50000 -1.0 2.0
END
