* LIGAND DATABASE FILE (OPLS2005)
*
001      90    92    158    245     461
    1     0 S   NP   _N1_     1    29.63718    90.88665   -21.01772
    2     1 S   H    _HN1     2     1.02881   107.81176    84.41212
    3     1 S   H    _H1_     3     1.02747     3.13425     3.32490
    4     1 S   H    _H2_     4     1.03064   109.84794   -33.80468
    5     1 S   CT   _CA1     5     1.49830   107.70022  -155.74850
    6     5 S   HC   _HA1     6     1.09440   105.17455    61.84660
    7     5 S   CO3  _C1_     7     1.53689   112.56052   -58.17595
    8     7 S   O2Z  _O11     8     1.26350   115.08455   -45.04458
    9     7 S   O2Z  _O12     9     1.26247   114.88757   134.12614
   10     5 S   CT   _CB1    10     1.52994   107.55029   179.87967
   11    10 S   HC   HB11    11     1.09808   109.90909   -45.76977
   12    10 S   HC   HB12    12     1.09794   110.45267    70.82926
   13    10 S   CT   _CG1    13     1.52908   112.31115  -166.53766
   14    13 S   HC   HG11    14     1.09544   111.28325   -61.08691
   15    13 S   HC   HG12    15     1.09614   110.70790    58.06593
   16    13 S   C    _CD1    16     1.51326   109.93416   177.45224
   17    16 S   O    _OE1    17     1.22829   121.64923   -90.16443
   18    16 S   N    _N2_    18     1.38424   112.88508    87.95532
   19    18 S   H    _HN2    19     1.01592   119.18869     3.08927
   20    18 S   CT1  _CA2    20     1.46094   123.32605  -178.13240
   21    20 S   HC   _HA2    21     1.09581   109.25546    -4.65711
   22    20 S   C    _C2_    22     1.53434   108.88823  -119.93775
   23    22 S   O    _O2_    23     1.23041   122.09751  -146.46178
   24    20 S   CT   _CB2    32     1.53437   111.67145   117.53211
   25    24 S   HC   HB21    33     1.09661   109.56683    64.18160
   26    24 S   HC   HB22    34     1.09565   110.86469  -178.56988
   27    22 S   N    _N3_    24     1.38470   113.56473    41.07834
   28    27 S   H    _HN3    25     1.01493   119.05841    -0.52934
   29    24 S   S    _SG2    35     1.82771   114.64322   -55.38357
   30    27 S   CT   _CA3    26     1.45432   123.20991   174.89658
   31    30 S   HC   HA31    27     1.09541   108.93597    29.77659
   32    30 S   HC   HA32    28     1.09486   107.18331   146.75975
   33    29 S   CTHO _C14    36     1.82244    99.94168   -66.81261
   34    33 S   F    F1__    37     1.36293   108.59797   -59.05956
   35    33 S   HC   _H4_    38     1.09344   110.68274    58.14407
   36    30 S   CO3  _C3_    29     1.52962   113.40105   -93.46064
   37    36 S   O2Z  _O31    30     1.26381   115.57525   -40.19505
   38    36 S   O2Z  _O32    31     1.26381   114.86489   140.74478
   39    33 S   OS   _O33    39     1.43337   112.04079  -175.85925
   40    39 S   CA   _C11    40     1.36991   112.26718   -90.07934
   41    40 S   CA   _C10    41     1.39381   121.45975   -69.41170
   42    41 S   HA   _H14    42     1.08635   120.80688     1.25101
   43    41 S   CA   _C9_    43     1.39582   119.68979  -178.85910
   44    43 S   HA   _H13    44     1.08767   118.76481  -178.82131
   45    43 S   CA   _C8_    45     1.40455   120.81043     1.09593
   46    45 S   CA   _C13    46     1.40422   118.57255    -0.24147
   47    46 S   HA   _H16    47     1.08664   120.75366  -179.16608
   48    45 S   CT   _C7_    50     1.52262   119.34470  -177.77041
   49    48 S   HC   _H3_    51     1.09984   107.71990   -16.81259
   50    40 S   CA   _C12    48     1.39282   118.10704   113.81051
   51    50 S   HA   _H15    49     1.08653   120.44460    -1.85266
   52    48 S   CO4  _C15    52     1.52485   108.32936    99.56487
   53    52 S   O    _O34    53     1.22479   124.38063    62.40193
   54    48 S   CT   _C5_    81     1.55446   115.20035  -135.82171
   55    54 S   HC   _H9_    82     1.09715   110.04127   -61.78069
   56    52 S   OS   _O35    54     1.36532   109.87887  -117.01701
   57    54 S   CT   _C4_    83     1.53473   111.52660    58.20770
   58    57 S   HC   _H6_    84     1.09543   111.15756    58.18918
   59    57 S   HC   _H7_    85     1.09402   111.71020   -62.64198
   60    57 S   HC   _H8_    86     1.09552   110.71730   178.08347
   61    54 S   CT   _C6_    87     1.53566   111.39616   179.65622
   62    61 S   HC   _H10    88     1.09527   111.29561   -56.45365
   63    61 S   HC   _H11    89     1.09405   111.29822    64.39853
   64    61 S   HC   _H12    90     1.09547   110.80448  -176.61228
   65    56 S   CT   _C16    55     1.44480   117.14031   175.28366
   66    65 S   HC   _H5_    56     1.09758   107.94973   -43.50996
   67    65 S   CZ   _C17    57     1.47376   108.66714  -159.90771
   68    67 S   NZ   _N4_    58     1.16067   179.75934    75.07728
   69    65 S   CA   _C18    59     1.51490   110.93263    77.41684
   70    69 S   CA   _C19    60     1.40405   121.34148    49.92963
   71    70 S   HA   _H17    61     1.08769   120.41214    -0.56510
   72    70 S   CA   _C20    62     1.39662   120.63110   179.08871
   73    72 S   HA   _H18    63     1.08649   119.88594  -179.52978
   74    72 S   CA   _C21    64     1.39337   120.17640     0.20936
   75    74 S   HA   _H19    65     1.08634   119.86647  -179.56795
   76    74 S   CA   _C22    66     1.39391   119.61571     0.75641
   77    69 S   CA   _C23    67     1.40269   119.83414  -130.95843
   78    77 S   HA   _H20    68     1.08672   119.93914    -0.86479
   79    76 S   OS   _O36    69     1.37741   117.71041  -178.28776
   80    79 S   CA   _C24    70     1.37735   115.83283  -127.15850
   81    80 S   CA   _C25    71     1.39783   121.58962    60.09500
   82    81 S   HA   _H21    72     1.08623   120.89088    -1.82724
   83    81 S   CA   _C26    73     1.39498   119.58301   177.29948
   84    83 S   HA   _H22    74     1.08640   119.97526  -179.85463
   85    83 S   CA   _C27    75     1.39574   120.07751    -0.21670
   86    85 S   HA   _H23    76     1.08652   120.01489   179.93744
   87    85 S   CA   _C28    77     1.39546   120.10598    -0.31652
   88    87 S   HA   _H24    78     1.08662   119.96879  -179.86012
   89    80 S   CA   _C29    79     1.39558   117.82329  -123.65107
   90    89 S   HA   _H25    80     1.08642   120.54106     2.55198
  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   5   5   4   3
   6   3   2   2   1   1   7   9   8   4   9   3  13   7   3  16
   7   1   1  10   3  10   8   7   7   3   2   1   3   2   1   1
  10   5   4   1   9   8   4   6   3   6   3   6   3   1   7   9
   8   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    50  
   35    39    40  
   39    40  
   37    38  
   38  
    0  
   40    41    42    43    46    50    51  
   41    42    43    44    45    46    47    50    51  
   42    43    44    45    46    50    51    48  
   43    44    45    50  
   44    45    46    47    50    48    49    52    54  
   45    46    48  
   46    47    50    51    48    49    52    53    56    54    55    57    61  
   47    50    51    48    49    52    54  
   50    51    48  
   49    52    53    56    65    54    55    57    58    59    60    61    62    63    64    50  
   52    53    56    54    55    57    61  
   51  
    0  
   53    56    65    66    67    69    54    55    57    61  
   56    65    54  
   55    57    58    59    60    61    62    63    64    56  
   57    58    59    60    61    62    63    64  
   65    66    67    68    69    70    77  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    76    77    78  
   67    68    69    70    77  
   68    69    70    77  
   69  
   70    71    72    73    74    76    77    78    79  
   71    72    73    74    75    76    77    78  
   72    73    74    77  
   73    74    75    76    77    79  
   74    75    76  
   75    76    77    78    79    80  
   76    77    79  
   77    78    79    80    81    89  
   78    79    80  
   79  
   80    81    82    83    87    89    90  
   81    82    83    84    85    87    88    89    90  
   82    83    84    85    86    87    89    90  
   83    84    85    89  
   84    85    86    87    88    89  
   85    86    87  
   86    87    88    89    90  
   87    88    89  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.583800   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9400   0.0610  -0.269000   2.4980   2.2250   0.001000000   0.985400000
   35   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.341700   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0700   0.145800   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   68   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   69   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   455.000  1.355
   33    35   375.000  1.089
   33    39   470.000  1.351
   39    40   450.000  1.364
   40    41   469.000  1.400
   40    50   469.000  1.400
   41    42   367.000  1.080
   41    43   469.000  1.400
   43    44   367.000  1.080
   43    45   469.000  1.400
   45    46   469.000  1.400
   45    48   317.000  1.510
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   48    49   340.000  1.090
   48    52   317.000  1.522
   48    54   268.000  1.529
   52    53   570.000  1.229
   52    56   214.000  1.327
   56    65   320.000  1.410
   65    66   340.000  1.090
   65    67   390.000  1.470
   65    69   317.000  1.510
   67    68   650.000  1.157
   69    70   469.000  1.400
   69    77   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    79   450.000  1.364
   77    78   367.000  1.080
   79    80   450.000  1.364
   80    81   469.000  1.400
   80    89   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    90   367.000  1.080
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    61   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    35.00000  109.50000
   29    33    39    85.00000  114.68000
   33    39    40    90.00000  114.16000
   35    33    34    55.00000  109.56900
   39    33    34   110.00000  110.36100
   39    33    35    60.00000  110.43500
   39    40    41    70.00000  120.00000
   39    40    50    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    43    63.00000  120.00000
   40    50    46    63.00000  120.00000
   40    50    51    35.00000  120.00000
   41    43    44    35.00000  120.00000
   41    43    45    63.00000  120.00000
   43    41    42    35.00000  120.00000
   43    45    46    63.00000  120.00000
   43    45    48    70.00000  120.00000
   45    43    44    35.00000  120.00000
   45    46    47    35.00000  120.00000
   45    46    50    63.00000  120.00000
   45    48    49    35.00000  109.50000
   45    48    52    70.00000  110.93000
   45    48    54    70.00000  112.17500
   46    50    51    35.00000  120.00000
   50    40    41    63.00000  120.00000
   50    46    47    35.00000  120.00000
   48    45    46    70.00000  120.00000
   48    52    53    80.00000  120.40000
   48    52    56    81.00000  111.40000
   48    54    55    37.50000  110.70000
   48    54    57    58.35000  112.70000
   48    54    61    58.35000  112.70000
   52    48    49    35.00000  109.50000
   52    56    65    83.00000  116.90000
   56    52    53    83.00000  123.40000
   56    65    66    35.00000  109.50000
   56    65    67    90.00000  109.17800
   56    65    69    85.00000  111.85700
   65    67    68   150.00000  180.00000
   65    69    70    70.00000  120.00000
   65    69    77    70.00000  120.00000
   67    65    66    35.00000  108.50000
   69    65    66    35.00000  109.50000
   69    65    67    70.00000  111.71400
   69    70    71    35.00000  120.00000
   69    70    72    63.00000  120.00000
   69    77    76    63.00000  120.00000
   69    77    78    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    79    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    79    80    85.00000  114.70000
   77    69    70    63.00000  120.00000
   79    76    77    70.00000  120.00000
   79    80    81    70.00000  120.00000
   79    80    89    70.00000  120.00000
   80    81    82    35.00000  120.00000
   80    81    83    63.00000  120.00000
   80    89    87    63.00000  120.00000
   80    89    90    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    35.00000  120.00000
   83    85    87    63.00000  120.00000
   85    83    84    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    89    63.00000  120.00000
   87    85    86    35.00000  120.00000
   87    89    90    35.00000  120.00000
   89    80    81    63.00000  120.00000
   89    87    88    35.00000  120.00000
   54    48    49    37.50000  110.70000
   54    48    52    63.00000  111.10000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   57    54    55    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.14700  1.0 1.0
   29    33    39    40  -1.16150 -1.0 2.0
   29    33    39    40   0.48700  1.0 3.0
   33    39    40    41   1.11600 -1.0 2.0
   33    39    40    50   1.11600 -1.0 2.0
   34    33    39    40   0.73750  1.0 1.0
   34    33    39    40  -2.02850 -1.0 2.0
   34    33    39    40   0.37850  1.0 3.0
   35    33    39    40   0.08050  1.0 3.0
   39    40    41    42   3.62500 -1.0 2.0
   39    40    41    43   3.62500 -1.0 2.0
   39    40    50    46   3.62500 -1.0 2.0
   39    40    50    51   3.62500 -1.0 2.0
   40    41    43    44   3.62500 -1.0 2.0
   40    41    43    45   3.62500 -1.0 2.0
   41    40    50    46   3.62500 -1.0 2.0
   41    40    50    51   3.62500 -1.0 2.0
   41    43   -45    46   3.62500 -1.0 2.0
   41    43    45    48   3.62500 -1.0 2.0
   42    41    43    44   3.62500 -1.0 2.0
   42    41    43    45   3.62500 -1.0 2.0
   43    45    46    47   3.62500 -1.0 2.0
   43    45    46    50   3.62500 -1.0 2.0
   43    45    48    49   0.00000  1.0 1.0
   43    45    48    52   0.04300 -1.0 2.0
   43    45    48    54   0.04150 -1.0 2.0
   44    43    45    46   3.62500 -1.0 2.0
   44    43    45    48   3.62500 -1.0 2.0
   45    46   -50    40   3.62500 -1.0 2.0
   45    46    50    51   3.62500 -1.0 2.0
   45    48    52    53   0.30150 -1.0 2.0
   45    48    52    56   0.40000  1.0 3.0
   45    48    54    55   0.43200  1.0 3.0
   45    48    54    57  -0.03700  1.0 1.0
   45    48    54    57   0.37200 -1.0 2.0
   45    48    54    57  -0.47300  1.0 3.0
   45    48    54    61  -0.03700  1.0 1.0
   45    48    54    61   0.37200 -1.0 2.0
   45    48    54    61  -0.47300  1.0 3.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    52   0.04300 -1.0 2.0
   46    45    48    54   0.04150 -1.0 2.0
   47    46    50    40   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   50    40    41    42   3.62500 -1.0 2.0
   50    40   -41    43   3.62500 -1.0 2.0
   48    45    46    47   3.62500 -1.0 2.0
   48    45    46    50   3.62500 -1.0 2.0
   48    52    56    65   1.63150  1.0 1.0
   48    52    56    65   2.92000 -1.0 2.0
   48    54    57    58   0.15000  1.0 3.0
   48    54    57    59   0.15000  1.0 3.0
   48    54    57    60   0.15000  1.0 3.0
   48    54    61    62   0.15000  1.0 3.0
   48    54    61    63   0.15000  1.0 3.0
   48    54    61    64   0.15000  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    56   0.00000  1.0 1.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    57   0.15000  1.0 3.0
   49    48    54    61   0.15000  1.0 3.0
   52    48    54    55  -0.11250  1.0 3.0
   52    48    54    57  -0.95700  1.0 1.0
   52    48    54    57  -0.18200 -1.0 2.0
   52    48    54    57   0.29450  1.0 3.0
   52    48    54    61  -0.95700  1.0 1.0
   52    48    54    61  -0.18200 -1.0 2.0
   52    48    54    61   0.29450  1.0 3.0
   52    56    65    66   0.08050  1.0 3.0
   52    56    65    67  -0.24150  1.0 1.0
   52    56    65    67  -0.46200 -1.0 2.0
   52    56    65    67   0.11700  1.0 3.0
   52    56    65    69  -0.43900 -1.0 2.0
   52    56    65    69   0.14100  1.0 3.0
   53    52    56    65   3.00000 -1.0 2.0
   56    65    67    68   0.00000  1.0 1.0
   56    65    69    70   0.64500  1.0 1.0
   56    65    69    70   0.14800 -1.0 2.0
   56    65    69    70   0.20650  1.0 3.0
   56    65    69    77   0.64500  1.0 1.0
   56    65    69    77   0.14800 -1.0 2.0
   56    65    69    77   0.20650  1.0 3.0
   65    69    70    71   3.62500 -1.0 2.0
   65    69    70    72   3.62500 -1.0 2.0
   65    69    77    76   3.62500 -1.0 2.0
   65    69    77    78   3.62500 -1.0 2.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    77   0.00000  1.0 1.0
   67    65    69    70   0.04300 -1.0 2.0
   67    65    69    77   0.04300 -1.0 2.0
   69    65    67    68   0.00000  1.0 1.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70    72    74   3.62500 -1.0 2.0
   70    69    77    76   3.62500 -1.0 2.0
   70    69    77    78   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72   -74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74    76    79   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76   -77    69   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    79    80   0.47150 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    79   3.62500 -1.0 2.0
   76    79    80    81   0.47150 -1.0 2.0
   76    79    80    89   0.47150 -1.0 2.0
   77    69    70    71   3.62500 -1.0 2.0
   77    69   -70    72   3.62500 -1.0 2.0
   77    76    79    80   0.47150 -1.0 2.0
   79    76    77    69   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   79    80    81    82   3.62500 -1.0 2.0
   79    80    81    83   3.62500 -1.0 2.0
   79    80    89    87   3.62500 -1.0 2.0
   79    80    89    90   3.62500 -1.0 2.0
   80    81    83    84   3.62500 -1.0 2.0
   80    81    83    85   3.62500 -1.0 2.0
   81    80    89    87   3.62500 -1.0 2.0
   81    80    89    90   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   81    83   -85    87   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   83    85    87    88   3.62500 -1.0 2.0
   83    85    87    89   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    87   -89    80   3.62500 -1.0 2.0
   85    87    89    90   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   86    85    87    89   3.62500 -1.0 2.0
   88    87    89    80   3.62500 -1.0 2.0
   88    87    89    90   3.62500 -1.0 2.0
   89    80    81    82   3.62500 -1.0 2.0
   89    80   -81    83   3.62500 -1.0 2.0
   54    48    52    53   0.30150 -1.0 2.0
   54    48    52    56   0.36750  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   57    54    61    62   0.15000  1.0 3.0
   57    54    61    63   0.15000  1.0 3.0
   57    54    61    64   0.15000  1.0 3.0
   61    54    57    58   0.15000  1.0 3.0
   61    54    57    59   0.15000  1.0 3.0
   61    54    57    60   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
   37    30    36    38  10.50000 -1.0 2.0
   41    50    40    39   4.00000 -1.0 2.0
   43    42    41    40   1.10000 -1.0 2.0
   45    44    43    41   1.10000 -1.0 2.0
   46    48    45    43   4.00000 -1.0 2.0
   50    47    46    45   1.10000 -1.0 2.0
   46    51    50    40   1.10000 -1.0 2.0
   48    56    52    53  10.50000 -1.0 2.0
   70    77    69    65   4.00000 -1.0 2.0
   72    71    70    69   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    79    76    74   4.00000 -1.0 2.0
   76    78    77    69   1.10000 -1.0 2.0
   81    89    80    79   4.00000 -1.0 2.0
   83    82    81    80   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   87    86    85    83   1.10000 -1.0 2.0
   89    88    87    85   1.10000 -1.0 2.0
   87    90    89    80   1.10000 -1.0 2.0
END
