* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    166    252     487
    1     0 S   NP   _N1_     1    29.26588    93.12564   -24.03716
    2     1 S   H    _HN1     2     1.02778   107.96694   -94.64928
    3     1 S   H    _H1_     3     1.02951    88.07510    14.08603
    4     1 S   H    _H2_     4     1.02840    20.43577   172.39524
    5     1 S   CT   _CA1     5     1.50090   126.33087   128.24450
    6     5 S   HC   _HA1     6     1.09573   105.21269    74.29125
    7     5 S   CO3  _C1_     7     1.53793   112.39822   -45.96972
    8     7 S   O2Z  _O11     8     1.26368   114.98938   -43.96254
    9     7 S   O2Z  _O12     9     1.26232   114.93324   135.22276
   10     5 S   CT   _CB1    10     1.53115   107.49151  -167.71176
   11    10 S   HC   HB11    11     1.09833   109.43860   -49.86212
   12    10 S   HC   HB12    12     1.09812   110.44905    66.77523
   13    10 S   CT   _CG1    13     1.53004   112.53192  -170.82943
   14    13 S   HC   HG11    14     1.09584   110.61817   -64.64853
   15    13 S   HC   HG12    15     1.09666   109.78653    54.55826
   16    13 S   C    _CD1    16     1.51776   112.29191   175.07805
   17    16 S   O    _OE1    17     1.22755   123.29195     6.33917
   18    16 S   N    _N2_    18     1.38664   111.68052  -173.81293
   19    18 S   H    _HN2    19     1.01599   118.94096     1.85393
   20    18 S   CT1  _CA2    20     1.46019   123.46435   178.25135
   21    20 S   HC   _HA2    21     1.09405   109.15082     2.88826
   22    20 S   C    _C2_    22     1.53457   108.63255  -111.67606
   23    22 S   O    _O2_    23     1.22996   122.37555  -143.62635
   24    20 S   CT   _CB2    32     1.53212   111.91460   125.13922
   25    24 S   HC   HB21    33     1.09677   109.39388    61.33844
   26    24 S   HC   HB22    34     1.09429   111.02406   178.04095
   27    22 S   N    _N3_    24     1.38365   113.32415    44.30891
   28    27 S   H    _HN3    25     1.01558   119.57490    -6.34137
   29    24 S   S    _SG2    35     1.83228   114.83845   -57.91304
   30    27 S   CT   _CA3    26     1.45314   123.36390   175.76599
   31    30 S   HC   HA31    27     1.09512   108.17056   -48.61544
   32    30 S   HC   HA32    28     1.09529   107.47424    67.86866
   33    29 S   CT   _C20    36     1.84216   101.65862   -63.06223
   34    33 S   HC   _H8_    37     1.09379   107.75739    49.88991
   35    30 S   CO3  _C3_    29     1.52969   113.83649  -171.06387
   36    35 S   O2Z  _O31    30     1.26418   115.94466   -10.71388
   37    35 S   O2Z  _O32    31     1.26384   114.56077   169.27070
   38    33 S   CT   _C21    38     1.53270   106.99934   163.74873
   39    38 S   HC   _H29    39     1.09542   112.51006    60.43848
   40    38 S   HC   _H30    40     1.09656   110.92649   -60.40168
   41    38 S   HC   _H31    41     1.09480   110.90463  -178.81320
   42    33 S   CT   _C18    42     1.54546   112.25360   -70.91992
   43    42 S   HC   _H7_    43     1.09771   110.51708    47.38994
   44    42 S   CO4  _C17    44     1.52471   108.39376   162.49753
   45    44 S   O    _O36    45     1.22350   124.93504    89.18148
   46    42 S   CT   _C19    84     1.53254   114.93623   -74.12559
   47    46 S   HC   _H26    85     1.09396   111.24728    50.30564
   48    46 S   HC   _H27    86     1.09473   112.25285   -71.85484
   49    44 S   OS   _O35    46     1.36623   109.35232   -88.71116
   50    46 S   OH   _O37    87     1.42509   108.99517   168.57599
   51    50 S   HO   _H28    88     0.97263   107.03142   179.90721
   52    49 S   CT   _C16    47     1.43935   117.22482   176.95535
   53    52 S   HC   _H24    48     1.09667   110.86269    33.91075
   54    52 S   HC   _H25    49     1.09241   106.97449   149.26920
   55    52 S   CT   _C13    50     1.52349   109.67469   -89.01714
   56    55 S   HC   _H6_    51     1.10041   107.26364    66.29527
   57    55 S   CT   _C14    52     1.52249   114.71409  -174.18270
   58    57 S   HC   _H20    53     1.09443   111.86904    49.54288
   59    57 S   HC   _H21    54     1.09450   112.19863   -71.44647
   60    57 S   CT   _C15    55     1.51951   103.29985   168.28575
   61    60 S   HC   _H22    56     1.09508   111.38814    80.91848
   62    60 S   HC   _H23    57     1.09338   113.98886  -154.20307
   63    60 S   NP   _N4_    58     1.51060   104.77786   -33.64061
   64    63 S   H    _H4_    59     1.02972   108.59950   131.62058
   65    63 S   CT   _C11    60     1.51052   116.17988  -106.50631
   66    65 S   HC   _H18    61     1.09504   108.55881    21.27090
   67    65 S   HC   _H19    62     1.09306   108.41167   -98.88971
   68    65 S   CT   _C10    63     1.51809   103.63541   140.05109
   69    68 S   HC   _H16    64     1.09561   110.10290    78.81294
   70    68 S   HC   _H17    65     1.09355   110.87557  -160.71401
   71    68 S   CT   _C9_    66     1.52402   102.80806   -39.01511
   72    71 S   HC   _H3_    67     1.09451   112.82852   163.11126
   73    55 S   CT   _C12    68     1.52777   115.92079   -52.47576
   74    73 S   HC   _H5_    69     1.09584   110.91664    89.32822
   75    71 S   OS   _O34    70     1.43835   109.16740   -74.45988
   76    75 S   CO4  _C8_    71     1.36007   116.28676   -83.70502
   77    76 S   O    _O33    72     1.22090   127.00714    -3.23125
   78    76 S   CM   _C6_    73     1.48124   108.78133   176.10399
   79    78 S   CM   _C5_    74     1.34443   119.87851  -126.36442
   80    79 S   HC   _H12    75     1.08908   117.91360  -177.87588
   81    78 S   CT   _C7_    80     1.49760   117.07275    55.90933
   82    81 S   HC   _H13    81     1.09417   110.72075   -70.34190
   83    81 S   HC   _H14    82     1.09503   110.43274    49.90928
   84    81 S   HC   _H15    83     1.09519   111.91091   169.54264
   85    79 S   CT   _C4_    76     1.49651   127.95629     3.53081
   86    85 S   HC   _H9_    77     1.09411   109.89133  -111.74442
   87    85 S   HC   _H10    78     1.09492   109.38120   129.72588
   88    85 S   HC   _H11    79     1.09271   113.55837    10.08896
  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
  14   8   2   1   1   7   3   2   1  10   7  10   3   5   3   2
   7   1   1  12   5   4  16   8  11   6   5  11   5   4  12   7
  10   6   5   8   5   4   7   4   3   1   5   9   3  10   9   5
   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    49    46    47    48    50  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    49    52    46    47    48    50    51  
   44    45    49    46    47    48    50  
   45    49    52    53    54    55    46    47    48    50  
   49    52    46  
   47    48    50    51    49  
   48    50    51  
   50    51  
   52    53    54    55    56    57    73  
   51  
    0  
   53    54    55    56    57    58    59    60    63    71    73    74  
   54    55    56    57    73  
   55    56    57    73  
   56    57    58    59    60    61    62    63    64    65    68    71    72    73    74    75  
   57    58    59    60    63    71    73    74  
   58    59    60    61    62    63    64    65    71    73    74  
   59    60    61    62    63    73  
   60    61    62    63    73  
   61    62    63    64    65    66    67    68    71    73    74  
   62    63    64    65    73  
   63    64    65    73  
   64    65    66    67    68    69    70    71    72    73    74    75  
   65    66    67    68    71    73    74  
   66    67    68    69    70    71    72    73    74    75  
   67    68    69    70    71    73  
   68    69    70    71    73  
   69    70    71    72    73    74    75    76  
   70    71    72    73    75  
   71    72    73    75  
   72    73    74    75    76    77    78  
   73    74    75    76  
   74    75    76  
   75  
   76    77    78    79    81  
   77    78    79    80    85    81    82    83    84  
   78    79    81  
   79    80    85    86    87    88    81    82    83    84  
   80    85    86    87    88    81    82    83    84  
   85    86    87    88    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.145000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   64   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    73   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   367.000  1.471
   63    64   434.000  1.010
   63    65   367.000  1.471
   63    73   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    75   320.000  1.410
   73    74   340.000  1.090
   75    76   214.000  1.327
   76    77   570.000  1.229
   76    78   320.000  1.462
   78    79   549.000  1.340
   78    81   317.000  1.510
   79    80   340.000  1.080
   79    85   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   320.000  1.410
   50    51   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    49    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    50    50.00000  109.50000
   44    42    43    35.00000  109.50000
   44    49    52    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    50.00000  109.50000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    73    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    60    58.35000  112.70000
   55    73    63    80.00000  111.20000
   55    73    71    58.35000  112.70000
   55    73    74    37.50000  110.70000
   57    55    56    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    80.00000  111.20000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    35.00000  109.50000
   60    63    65    75.00000  113.01200
   60    63    73    75.00000  113.01200
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    80.00000  111.20000
   63    73    71    80.00000  111.20000
   63    73    74    35.00000  109.50000
   65    63    64    35.00000  109.50000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    58.35000  112.70000
   68    71    75    50.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    75    76    83.00000  116.90000
   73    55    56    37.50000  110.70000
   73    55    57    58.35000  112.70000
   73    63    64    35.00000  109.50000
   73    63    65    75.00000  113.01200
   73    71    72    37.50000  110.70000
   75    71    72    35.00000  109.50000
   75    71    73    50.00000  109.50000
   75    76    77    83.00000  123.40000
   75    76    78    90.00000  111.29400
   76    78    79    65.00000  118.96000
   76    78    81    65.00000  116.34900
   78    76    77    80.00000  123.72100
   78    79    80    35.00000  120.00000
   78    79    85    70.00000  124.00000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    88    35.00000  109.50000
   85    79    80    35.00000  117.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   81    78    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   46    50    51    55.00000  108.50000
   48    46    47    33.00000  107.80000
   50    46    47    35.00000  109.50000
   50    46    48    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    49   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    50   0.86500  1.0 1.0
   33    42    46    50  -0.17500 -1.0 2.0
   33    42    46    50   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    49    52   1.63150  1.0 1.0
   42    44    49    52   2.92000 -1.0 2.0
   42    46    50    51  -0.11600  1.0 1.0
   42    46    50    51  -0.09450 -1.0 2.0
   42    46    50    51   0.21250  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    49   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    50   0.23400  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    50  -0.09450  1.0 1.0
   44    42    46    50  -1.12950 -1.0 2.0
   44    42    46    50   0.54000  1.0 3.0
   44    49    52    53   0.08050  1.0 3.0
   44    49    52    54   0.08050  1.0 3.0
   44    49    52    55  -0.25900  1.0 1.0
   44    49    52    55  -0.47000 -1.0 2.0
   44    49    52    55   0.11750  1.0 3.0
   45    44    49    52   3.00000 -1.0 2.0
   49    52    55    56   0.23400  1.0 3.0
   49    52    55    57   0.62750  1.0 1.0
   49    52    55    57  -0.30950 -1.0 2.0
   49    52    55    57   0.27300  1.0 3.0
   49    52    55    73   0.62750  1.0 1.0
   49    52    55    73  -0.30950 -1.0 2.0
   49    52    55    73   0.27300  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.15000  1.0 3.0
   52    55    57    60   0.56750  1.0 1.0
   52    55    57    60  -0.07550 -1.0 2.0
   52    55    57    60   0.20000  1.0 3.0
   52    55    73    63   1.36600  1.0 1.0
   52    55    73    63  -0.11450 -1.0 2.0
   52    55    73    63   0.24250  1.0 3.0
   52    55    73    71   0.56750  1.0 1.0
   52    55    73    71  -0.07550 -1.0 2.0
   52    55    73    71   0.20000  1.0 3.0
   52    55    73    74   0.15000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    73   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    73   0.15000  1.0 3.0
   55    57    60    61   0.15000  1.0 3.0
   55    57    60    62   0.15000  1.0 3.0
   55    57   -60    63   1.36600  1.0 1.0
   55    57   -60    63  -0.11450 -1.0 2.0
   55    57   -60    63   0.24250  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    60   0.15000  1.0 3.0
   56    55    73    63   0.19200  1.0 3.0
   56    55    73    71   0.15000  1.0 3.0
   56    55    73    74   0.15000  1.0 3.0
   57    55   -73    63   1.36600  1.0 1.0
   57    55   -73    63  -0.11450 -1.0 2.0
   57    55   -73    63   0.24250  1.0 3.0
   57    55    73    71   0.56750  1.0 1.0
   57    55    73    71  -0.07550 -1.0 2.0
   57    55    73    71   0.20000  1.0 3.0
   57    55    73    74   0.15000  1.0 3.0
   57    60    63    64   0.17350  1.0 3.0
   57    60    63    65   0.47100  1.0 1.0
   57    60   -63    73   0.47100  1.0 1.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.19200  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.19200  1.0 3.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    67   0.15000  1.0 3.0
   60    63    65    68   0.47100  1.0 1.0
   60    63   -73    55   0.47100  1.0 1.0
   60    63    73    71   0.47100  1.0 1.0
   60    63    73    74   0.15000  1.0 3.0
   61    60    63    64   0.13050  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    73   0.15000  1.0 3.0
   62    60    63    64   0.13050  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    73   0.15000  1.0 3.0
   63    65    68    69   0.19200  1.0 3.0
   63    65    68    70   0.19200  1.0 3.0
   63    65   -68    71   1.36600  1.0 1.0
   63    65   -68    71  -0.11450 -1.0 2.0
   63    65   -68    71   0.24250  1.0 3.0
   64    63    65    66   0.13050  1.0 3.0
   64    63    65    67   0.13050  1.0 3.0
   64    63    65    68   0.17350  1.0 3.0
   64    63    73    55   0.17350  1.0 3.0
   64    63    73    71   0.17350  1.0 3.0
   64    63    73    74   0.13050  1.0 3.0
   65    63    73    55   0.47100  1.0 1.0
   65    63   -73    71   0.47100  1.0 1.0
   65    63    73    74   0.15000  1.0 3.0
   65    68    71    72   0.15000  1.0 3.0
   65    68   -71    73   0.56750  1.0 1.0
   65    68   -71    73  -0.07550 -1.0 2.0
   65    68   -71    73   0.20000  1.0 3.0
   65    68    71    75   0.62750  1.0 1.0
   65    68    71    75  -0.30950 -1.0 2.0
   65    68    71    75   0.27300  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    73    55   0.56750  1.0 1.0
   68    71    73    55  -0.07550 -1.0 2.0
   68    71    73    55   0.20000  1.0 3.0
   68    71   -73    63   1.36600  1.0 1.0
   68    71   -73    63  -0.11450 -1.0 2.0
   68    71   -73    63   0.24250  1.0 3.0
   68    71    73    74   0.15000  1.0 3.0
   68    71    75    76  -0.25900  1.0 1.0
   68    71    75    76  -0.47000 -1.0 2.0
   68    71    75    76   0.11750  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    75   0.23400  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    75   0.23400  1.0 3.0
   71    75    76    77   3.00000 -1.0 2.0
   71    75    76    78   2.00000 -1.0 2.0
   72    71    73    55   0.15000  1.0 3.0
   72    71    73    63   0.19200  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    75    76   0.08050  1.0 3.0
   73    55    57    58   0.15000  1.0 3.0
   73    55    57    59   0.15000  1.0 3.0
   73    55   -57    60   0.56750  1.0 1.0
   73    55   -57    60  -0.07550 -1.0 2.0
   73    55   -57    60   0.20000  1.0 3.0
   73    63    65    66   0.15000  1.0 3.0
   73    63    65    67   0.15000  1.0 3.0
   73    63   -65    68   0.47100  1.0 1.0
   73    71    75    76  -0.25900  1.0 1.0
   73    71    75    76  -0.47000 -1.0 2.0
   73    71    75    76   0.11750  1.0 3.0
   75    71    73    55   0.62750  1.0 1.0
   75    71    73    55  -0.30950 -1.0 2.0
   75    71    73    55   0.27300  1.0 3.0
   75    71    73    63   1.69300  1.0 1.0
   75    71    73    63  -0.48450 -1.0 2.0
   75    71    73    74   0.23400  1.0 3.0
   75    76    78    79  -0.56150  1.0 1.0
   75    76    78    79   2.19150 -1.0 2.0
   75    76    78    81  -0.15000  1.0 1.0
   75    76    78    81   0.89550 -1.0 2.0
   75    76    78    81  -0.06900  1.0 3.0
   76    78    79    80   7.00000 -1.0 2.0
   76    78    79    85   7.00000 -1.0 2.0
   76    78    81    82   0.15000  1.0 3.0
   76    78    81    83   0.15000  1.0 3.0
   76    78    81    84   0.15000  1.0 3.0
   77    76    78    79   1.00000 -1.0 2.0
   77    76    78    81  -0.64400  1.0 1.0
   77    76    78    81   0.26850 -1.0 2.0
   78    79    85    86   0.00000  1.0 1.0
   78    79    85    87   0.00000  1.0 1.0
   78    79    85    88   0.00000  1.0 1.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   79    78    81    84   0.00000  1.0 1.0
   80    79    85    86   0.33100  1.0 3.0
   80    79    85    87   0.33100  1.0 3.0
   80    79    85    88   0.33100  1.0 3.0
   81    78    79    80   7.00000 -1.0 2.0
   81    78    79    85   7.00000 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    49   0.36750  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   48    46    50    51   0.19450  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
   42    49    44    45  10.50000 -1.0 2.0
   75    78    76    77  10.50000 -1.0 2.0
   76    81    78    79  15.00000 -1.0 2.0
   85    80    79    78  15.00000 -1.0 2.0
END
