* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    163    252     475
    1     0 S   NP   _N1_     1    28.67908    95.99488   -22.56384
    2     1 S   H    _HN1     2     1.02952    76.90237    15.04548
    3     1 S   H    _H1_     3     1.02830    37.10522   158.85238
    4     1 S   H    _H2_     4     1.02784    98.03722   -92.03479
    5     1 S   CT   _CA1     5     1.50105   143.44272   121.74119
    6     5 S   HC   _HA1     6     1.09572   105.21333    82.12821
    7     5 S   CO3  _C1_     7     1.53805   112.47037   -38.12548
    8     7 S   O2Z  _O11     8     1.26369   115.00952   -42.38273
    9     7 S   O2Z  _O12     9     1.26243   114.95530   136.80663
   10     5 S   CT   _CB1    10     1.53089   107.43123  -159.87208
   11    10 S   HC   HB11    11     1.09827   109.41463   -49.80961
   12    10 S   HC   HB12    12     1.09814   110.42667    66.81867
   13    10 S   CT   _CG1    13     1.52963   112.56931  -170.80933
   14    13 S   HC   HG11    14     1.09588   110.55483   -64.49212
   15    13 S   HC   HG12    15     1.09667   109.85146    54.70967
   16    13 S   C    _CD1    16     1.51790   112.34753   175.17931
   17    16 S   O    _OE1    17     1.22712   123.33250     3.58015
   18    16 S   N    _N2_    18     1.38596   111.52227  -176.47685
   19    18 S   H    _HN2    19     1.01577   118.97694     2.00311
   20    18 S   CT1  _CA2    20     1.46242   123.59953   178.92008
   21    20 S   HC   _HA2    21     1.09735   109.39067     0.82424
   22    20 S   C    _C2_    22     1.53560   108.65390  -114.63769
   23    22 S   O    _O2_    23     1.23048   122.36576  -149.66832
   24    20 S   CT   _CB2    32     1.53432   111.19963   122.89408
   25    24 S   HC   HB21    33     1.09416   109.38598    55.69017
   26    24 S   HC   HB22    34     1.09453   109.96723   174.26633
   27    22 S   N    _N3_    24     1.38366   113.69274    37.92721
   28    27 S   H    _HN3    25     1.01586   119.52060    -3.49732
   29    24 S   S    _SG2    35     1.83063   110.91246   -66.95547
   30    27 S   CT   _CA3    26     1.45272   123.19037   177.06455
   31    30 S   HC   HA31    27     1.09550   107.52065   -64.38328
   32    30 S   HC   HA32    28     1.09558   107.97220    52.04714
   33    29 S   CT   _C16    36     1.87923   102.11236   147.49840
   34    30 S   CO3  _C3_    29     1.52946   114.09983   174.04830
   35    34 S   O2Z  _O31    30     1.26374   116.07693    -0.30647
   36    34 S   O2Z  _O32    31     1.26431   114.40838   179.74666
   37    33 S   CT   _C15    37     1.54824   105.82056  -163.96610
   38    37 S   HC   _H9_    38     1.09746   110.23769   165.89426
   39    37 S   HC   _H10    39     1.09758   111.80463    48.98828
   40    33 S   CT   _C17    78     1.59668   116.10440    76.55240
   41    40 S   OM   _O38    79     1.32742   110.41279   -56.04664
   42    40 S   HC   _H3_    80     1.10278   103.49946   179.60983
   43    33 S   OS   _O39    85     1.45231   111.96022   -44.94432
   44    37 S   CO4  _C14    40     1.51356   113.04941   -73.73648
   45    44 S   O    _O35    41     1.23138   121.21129   128.29391
   46    43 S   CT   _C20    86     1.42028   117.66625   -67.96544
   47    46 S   HC   _H12    87     1.09378   107.82695   169.22156
   48    46 S   HC   _H13    88     1.09213   112.26182    50.31525
   49    46 S   HC   _H14    89     1.09330   110.67313   -73.34801
   50    44 S   CT   _C13    42     1.52555   116.41627   -55.62831
   51    50 S   CO4  _C12    43     1.52408   112.01998   -70.73420
   52    51 S   O    _O34    44     1.22941   121.12257   -25.63265
   53    50 S   OH   _O40    83     1.42675   108.72287   174.65984
   54    53 S   HO   _H15    84     0.97369   107.78298    50.07900
   55    51 S   CA   _C10    45     1.49159   118.93030   156.83419
   56    55 S   CA   _C9_    46     1.38931   119.24405    -5.30604
   57    55 S   CA   _C11    56     1.41373   122.04954   173.80090
   58    56 S   CA   _C8_    47     1.39615   120.11043   178.34744
   59    58 S   HA   _H7_    48     1.09022   119.09298   179.95154
   60    57 S   OH   _O33    57     1.37542   119.83415     0.79377
   61    60 S   HO   _H8_    58     0.97269   110.07936     1.32426
   62    56 S   CO4  _C19    75     1.47922   121.45983    -1.71749
   63    62 S   O    _O36    76     1.22876   119.53687   159.76869
   64    58 S   CA   _C7_    49     1.40238   121.59510     0.68984
   65    50 S   CT   _C18    77     1.53442   108.76533    54.64681
   66    64 S   CA   _C21    50     1.40526   117.96875   179.74899
   67    66 S   HA   _H16    51     1.08796   118.28005     0.04846
   68    65 S   OH   _O37    81     1.43238   108.25166    69.13895
   69    68 S   HO   _H11    82     0.97459   106.05837  -170.70713
   70    66 S   CA   _C22    52     1.39059   121.62623  -179.98022
   71    70 S   CA   _C23    53     1.39813   118.22190    -0.04423
   72    70 S   OS   _O43    70     1.37042   124.99521  -179.96044
   73    71 S   CA   _C5_    54     1.41618   122.12621     0.48051
   74    71 S   CO4  _C24    63     1.47177   117.28482   179.59074
   75    74 S   O    _O41    64     1.21815   123.89091   -88.93497
   76    72 S   CT   _C26    71     1.42229   117.55102    -0.29409
   77    76 S   HC   _H20    72     1.09428   107.72954  -179.83568
   78    76 S   HC   _H21    73     1.09493   111.12847    62.46307
   79    76 S   HC   _H22    74     1.09494   111.14260   -62.12297
   80    64 S   CA   _C6_    55     1.41991   120.72569    -0.09891
   81    73 S   CT   _C4_    59     1.51309   119.37341   179.31758
   82    81 S   HC   _H4_    60     1.09474   110.19739  -120.11716
   83    81 S   HC   _H5_    61     1.09292   113.63253    -1.42642
   84    81 S   HC   _H6_    62     1.09469   110.16952   117.59209
   85    74 S   OS   _O42    65     1.35579   107.34590    91.17992
   86    85 S   CT   _C25    66     1.42981   114.77992  -179.90309
   87    86 S   HC   _H17    67     1.09327   108.13160   179.83687
   88    86 S   HC   _H18    68     1.09430   110.30535    61.11414
   89    86 S   HC   _H19    69     1.09430   110.28274   -61.45168
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  17   2   1   1  13   6   5  14   6   5   6  10   4   3   2   1
   1  12  12   5   5   1  12  11  10  10   4   4   1   5   2   8
   2   8   4   1   1  12  12   6   8   8   2   3   2   1   1   4
   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    65    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    62    65    40    41    42    68    43    46    47    48    49  
   35    36  
   36  
    0  
   38    39    44    45    50    51    65    40    41    42    53    43    46  
   39    44    45    50    40    43  
   44    45    50    40    43  
   41    42    68    69    53    43    46    44    50    51    56    62    63    65  
   42    68    43    50    62    65  
   68    43    50    62    65  
   46    47    48    49    44    65  
   45    50    51    52    55    62    65    68    53    54  
   50    51    65    53  
   47    48    49  
   48    49  
   49  
    0  
   51    52    55    56    57    62    63    65    68    69    53    54  
   52    55    56    58    80    57    60    62    65    68    53    54  
   55    56    57    65    53  
   54    55    62    65    68  
   65  
   56    58    59    64    73    80    57    60    61    62    63    65  
   58    59    64    66    80    57    60    62    63    65    68  
   60    61    81    62    58    64    66    71    73    80  
   59    64    66    67    70    73    80    62    63    65  
   64    66    80    62  
   61    64    73    80  
   80  
   63    65    68    69    64  
   65    68  
   66    67    70    71    73    80    81    72  
   68    69  
   67    70    71    73    80    74    72    76  
   70    71    80    72  
   69  
    0  
   71    73    80    81    74    75    85    72    76    77    78    79  
   73    80    81    82    83    84    74    75    85    86    72    76  
   76    77    78    79    73    74  
   80    81    82    83    84    74    75    85  
   75    85    86    87    88    89    80    81  
   85    86  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660  -0.065000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   317.000  1.522
   50    65   268.000  1.529
   50    53   320.000  1.410
   51    52   570.000  1.229
   51    55   310.000  1.470
   55    56   469.000  1.400
   55    57   469.000  1.400
   56    58   469.000  1.400
   56    62   310.000  1.470
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    66   469.000  1.400
   64    80   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   469.000  1.400
   70    72   450.000  1.364
   71    73   469.000  1.400
   71    74   310.000  1.470
   73    80   469.000  1.400
   73    81   317.000  1.510
   80    57   469.000  1.400
   57    60   450.000  1.364
   60    61   553.000  0.945
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   74    75   570.000  1.229
   74    85   214.000  1.327
   85    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   72    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   62    63   570.000  1.229
   62    65   317.000  1.522
   65    40   268.000  1.529
   65    68   320.000  1.410
   40    41   570.000  1.307
   40    42   340.000  1.090
   68    69   553.000  0.945
   53    54   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    40    65    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    46    60.00000  109.50000
   37    44    45    80.00000  120.40000
   37    44    50    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    50    51    75.00000  107.99600
   44    50    65    63.00000  111.10000
   44    50    53    90.00000  109.61100
   50    44    45    80.00000  120.40000
   50    51    52    80.00000  120.40000
   50    51    55    65.00000  115.47100
   50    65    62    63.00000  111.10000
   50    65    40    58.35000  112.70000
   50    65    68    50.00000  109.50000
   50    53    54    55.00000  108.50000
   51    55    56    60.00000  119.52600
   51    55    57    60.00000  119.52600
   55    51    52    75.00000  123.78400
   55    56    58    63.00000  120.00000
   55    56    62    60.00000  119.52600
   55    57    80    63.00000  120.00000
   55    57    60    70.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    64    63.00000  120.00000
   56    62    63    75.00000  123.78400
   56    62    65    65.00000  115.47100
   58    64    66    63.00000  120.00000
   58    64    80    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    70    63.00000  120.00000
   64    80    73    63.00000  120.00000
   64    80    57    63.00000  120.00000
   66    70    71    63.00000  120.00000
   66    70    72    70.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    71    74    60.00000  119.52600
   70    72    76    75.00000  111.00000
   71    73    80    63.00000  120.00000
   71    73    81    70.00000  120.00000
   71    74    75    75.00000  123.78400
   71    74    85    81.00000  111.40000
   73    80    57    63.00000  120.00000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    84    35.00000  109.50000
   80    64    66    63.00000  120.00000
   80    57    60    70.00000  120.00000
   57    55    56    63.00000  120.00000
   57    60    61    35.00000  113.00000
   81    73    80    70.00000  120.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   74    71    73    60.00000  119.52600
   74    85    86    83.00000  116.90000
   85    74    75    83.00000  123.40000
   85    86    87    35.00000  109.50000
   85    86    88    35.00000  109.50000
   85    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   72    70    71    70.00000  120.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   62    56    58    60.00000  119.52600
   62    65    40    63.00000  111.10000
   62    65    68    90.00000  109.61100
   65    50    51    63.00000  111.10000
   65    62    63    80.00000  120.40000
   65    40    41    50.00000  109.50000
   65    40    42    37.50000  110.70000
   65    68    69    55.00000  108.50000
   40    33    37    58.35000  112.70000
   42    40    41    45.00000  125.66300
   68    65    40    50.00000  109.50000
   53    50    51    90.00000  109.61100
   53    50    65    50.00000  109.50000
   43    33    37    50.00000  109.50000
   43    33    40    50.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    46   0.14700  1.0 1.0
   29    33    43    46  -1.16150 -1.0 2.0
   29    33    43    46   0.48700  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    50   0.60050  1.0 1.0
   33    37    44    50   0.05600 -1.0 2.0
   33    37    44    50   0.26150  1.0 3.0
   33    43    46    47   0.37050  1.0 3.0
   33    43    46    48   0.37050  1.0 3.0
   33    43    46    49   0.37050  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    46   0.06250  1.0 1.0
   37    33    43    46  -0.01100 -1.0 2.0
   37    33    43    46   0.28050  1.0 3.0
   37    44    50    51   0.65300  1.0 1.0
   37    44    50    51  -0.03850 -1.0 2.0
   37    44    50    51   0.33900  1.0 3.0
   37    44   -50    65   0.60050  1.0 1.0
   37    44   -50    65   0.05600 -1.0 2.0
   37    44   -50    65   0.26150  1.0 3.0
   37    44    50    53   0.55300  1.0 1.0
   37    44    50    53   1.25850 -1.0 2.0
   37    44    50    53  -0.23600  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    50   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    50   0.00000  1.0 1.0
   44    50    51    52   0.30150 -1.0 2.0
   44    50    51    55   0.65300  1.0 1.0
   44    50    51    55  -0.03850 -1.0 2.0
   44    50    51    55   0.33900  1.0 3.0
   44    50    65    62   0.11950  1.0 1.0
   44    50    65    62   0.20300 -1.0 2.0
   44    50    65    62  -0.70800  1.0 3.0
   44    50    65    40  -0.95700  1.0 1.0
   44    50    65    40  -0.18200 -1.0 2.0
   44    50    65    40   0.29450  1.0 3.0
   44    50    65    68  -0.09450  1.0 1.0
   44    50    65    68  -1.12950 -1.0 2.0
   44    50    65    68   0.54000  1.0 3.0
   44    50    53    54   0.91850  1.0 1.0
   44    50    53    54   0.57950  1.0 3.0
   45    44    50    51   0.30150 -1.0 2.0
   45    44    50    65   0.30150 -1.0 2.0
   45    44    50    53   0.30150 -1.0 2.0
   50    51    55    56   2.26350  1.0 1.0
   50    51    55    56   0.76750 -1.0 2.0
   50    51    55    56   0.22500  1.0 3.0
   50    51    55    57   2.26350  1.0 1.0
   50    51    55    57   0.76750 -1.0 2.0
   50    51    55    57   0.22500  1.0 3.0
   50    65   -40    33   0.56750  1.0 1.0
   50    65   -40    33  -0.07550 -1.0 2.0
   50    65   -40    33   0.20000  1.0 3.0
   50    65    40    41   0.62750  1.0 1.0
   50    65    40    41  -0.30950 -1.0 2.0
   50    65    40    41   0.27300  1.0 3.0
   50    65    40    42   0.15000  1.0 3.0
   50    65    68    69  -0.11600  1.0 1.0
   50    65    68    69  -0.09450 -1.0 2.0
   50    65    68    69   0.21250  1.0 3.0
   51    50    65    62   0.11950  1.0 1.0
   51    50    65    62   0.20300 -1.0 2.0
   51    50    65    62  -0.70800  1.0 3.0
   51    50    65    40  -0.95700  1.0 1.0
   51    50    65    40  -0.18200 -1.0 2.0
   51    50    65    40   0.29450  1.0 3.0
   51    50    65    68  -0.09450  1.0 1.0
   51    50    65    68  -1.12950 -1.0 2.0
   51    50    65    68   0.54000  1.0 3.0
   51    50    53    54   0.91850  1.0 1.0
   51    50    53    54   0.57950  1.0 3.0
   51    55    56    58   3.62500 -1.0 2.0
   51    55   -56    62   3.62500 -1.0 2.0
   51    55    57    80   3.62500 -1.0 2.0
   51    55    57    60   3.62500 -1.0 2.0
   52    51    55    56   1.05000 -1.0 2.0
   52    51    55    57   1.05000 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    64   3.62500 -1.0 2.0
   55    56    62    63   1.05000 -1.0 2.0
   55    56    62    65   2.26350  1.0 1.0
   55    56    62    65   0.76750 -1.0 2.0
   55    56    62    65   0.22500  1.0 3.0
   55    57    60    61   0.84100 -1.0 2.0
   56    55    57    80   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   56    58    64    66   3.62500 -1.0 2.0
   56    58   -64    80   3.62500 -1.0 2.0
   56    62   -65    50   0.05850 -1.0 2.0
   56    62   -65    50   0.17250  1.0 3.0
   56    62    65    40   0.05850 -1.0 2.0
   56    62    65    40   0.17250  1.0 3.0
   56    62    65    68   0.65300  1.0 1.0
   56    62    65    68  -0.03850 -1.0 2.0
   56    62    65    68   0.33900  1.0 3.0
   58    56    62    63   1.05000 -1.0 2.0
   58    56    62    65   2.26350  1.0 1.0
   58    56    62    65   0.76750 -1.0 2.0
   58    56    62    65   0.22500  1.0 3.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    70   3.62500 -1.0 2.0
   58    64    80    73   3.62500 -1.0 2.0
   58    64    80    57   3.62500 -1.0 2.0
   59    58    64    66   3.62500 -1.0 2.0
   59    58    64    80   3.62500 -1.0 2.0
   64    66    70    71   3.62500 -1.0 2.0
   64    66    70    72   3.62500 -1.0 2.0
   64    80   -57    55   3.62500 -1.0 2.0
   64    80    57    60   3.62500 -1.0 2.0
   66    64    80    73   3.62500 -1.0 2.0
   66    64    80    57   3.62500 -1.0 2.0
   66    70   -71    73   3.62500 -1.0 2.0
   66    70    71    74   3.62500 -1.0 2.0
   66    70    72    76   1.63200 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    72   3.62500 -1.0 2.0
   70    71    73    80   3.62500 -1.0 2.0
   70    71    73    81   3.62500 -1.0 2.0
   70    71    74    75   1.05000 -1.0 2.0
   70    71    74    85   0.98750 -1.0 2.0
   70    72    76    77   0.08050  1.0 3.0
   70    72    76    78   0.08050  1.0 3.0
   70    72    76    79   0.08050  1.0 3.0
   71    70    72    76   1.63200 -1.0 2.0
   71    73   -80    64   3.62500 -1.0 2.0
   71    73    80    57   3.62500 -1.0 2.0
   71    73    81    82   0.00000  1.0 1.0
   71    73    81    83   0.00000  1.0 1.0
   71    73    81    84   0.00000  1.0 1.0
   71    74    85    86   0.59950  1.0 1.0
   71    74    85    86   3.24850 -1.0 2.0
   73    71    74    75   1.05000 -1.0 2.0
   73    71    74    85   0.98750 -1.0 2.0
   73    80    57    55   3.62500 -1.0 2.0
   73    80    57    60   3.62500 -1.0 2.0
   80    64    66    67   3.62500 -1.0 2.0
   80    64   -66    70   3.62500 -1.0 2.0
   80    73    81    82   0.00000  1.0 1.0
   80    73    81    83   0.00000  1.0 1.0
   80    73    81    84   0.00000  1.0 1.0
   80    57    60    61   0.84100 -1.0 2.0
   57    55   -56    58   3.62500 -1.0 2.0
   57    55    56    62   3.62500 -1.0 2.0
   81    73    80    64   3.62500 -1.0 2.0
   81    73    80    57   3.62500 -1.0 2.0
   74    71    73    80   3.62500 -1.0 2.0
   74    71    73    81   3.62500 -1.0 2.0
   74    85    86    87   0.08050  1.0 3.0
   74    85    86    88   0.08050  1.0 3.0
   74    85    86    89   0.08050  1.0 3.0
   75    74    85    86   3.00000 -1.0 2.0
   72    70    71    73   3.62500 -1.0 2.0
   72    70    71    74   3.62500 -1.0 2.0
   62    56    58    59   3.62500 -1.0 2.0
   62    56    58    64   3.62500 -1.0 2.0
   62    65    40    33  -0.95700  1.0 1.0
   62    65    40    33  -0.18200 -1.0 2.0
   62    65    40    33   0.29450  1.0 3.0
   62    65    40    41  -0.09450  1.0 1.0
   62    65    40    41  -1.12950 -1.0 2.0
   62    65    40    41   0.54000  1.0 3.0
   62    65    40    42  -0.11250  1.0 3.0
   62    65    68    69   0.91850  1.0 1.0
   62    65    68    69   0.57950  1.0 3.0
   63    62    65    50   0.30150 -1.0 2.0
   63    62    65    40   0.30150 -1.0 2.0
   63    62    65    68   0.30150 -1.0 2.0
   65    50    51    52   0.30150 -1.0 2.0
   65    50   -51    55   0.05850 -1.0 2.0
   65    50   -51    55   0.17250  1.0 3.0
   65    50    53    54  -0.11600  1.0 1.0
   65    50    53    54  -0.09450 -1.0 2.0
   65    50    53    54   0.21250  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    44  -0.95700  1.0 1.0
   40    33   -37    44  -0.18200 -1.0 2.0
   40    33   -37    44   0.29450  1.0 3.0
   40    33    43    46   0.06250  1.0 1.0
   40    33    43    46  -0.01100 -1.0 2.0
   40    33    43    46   0.28050  1.0 3.0
   40    65    68    69  -0.11600  1.0 1.0
   40    65    68    69  -0.09450 -1.0 2.0
   40    65    68    69   0.21250  1.0 3.0
   68    65    40    33   0.86500  1.0 1.0
   68    65    40    33  -0.17500 -1.0 2.0
   68    65    40    33   0.20800  1.0 3.0
   68    65    40    41   3.69350  1.0 1.0
   68    65    40    41  -1.82950 -1.0 2.0
   68    65    40    42   0.23400  1.0 3.0
   53    50    51    52   0.30150 -1.0 2.0
   53    50    51    55   0.65300  1.0 1.0
   53    50    51    55  -0.03850 -1.0 2.0
   53    50    51    55   0.33900  1.0 3.0
   53    50    65    62  -0.09450  1.0 1.0
   53    50    65    62  -1.12950 -1.0 2.0
   53    50    65    62   0.54000  1.0 3.0
   53    50    65    40   0.86500  1.0 1.0
   53    50    65    40  -0.17500 -1.0 2.0
   53    50    65    40   0.20800  1.0 3.0
   53    50    65    68   3.75450  1.0 1.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    44  -0.09450  1.0 1.0
   43    33    37    44  -1.12950 -1.0 2.0
   43    33    37    44   0.54000  1.0 3.0
   43    33    40    65   0.62750  1.0 1.0
   43    33    40    65  -0.30950 -1.0 2.0
   43    33    40    65   0.27300  1.0 3.0
   43    33    40    41   1.11900  1.0 1.0
   43    33    40    41  -1.16350 -1.0 2.0
   43    33    40    41  -0.34150  1.0 3.0
   43    33    40    42   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    50    44    45  10.50000 -1.0 2.0
   50    55    51    52  10.50000 -1.0 2.0
   56    57    55    51   4.00000 -1.0 2.0
   58    62    56    55   4.00000 -1.0 2.0
   64    59    58    56   1.10000 -1.0 2.0
   66    80    64    58   4.00000 -1.0 2.0
   70    67    66    64   1.10000 -1.0 2.0
   71    72    70    66   4.00000 -1.0 2.0
   73    74    71    70   4.00000 -1.0 2.0
   80    81    73    71   4.00000 -1.0 2.0
   73    57    80    64   4.00000 -1.0 2.0
   80    60    57    55   4.00000 -1.0 2.0
   71    85    74    75  10.50000 -1.0 2.0
   56    65    62    63  10.50000 -1.0 2.0
END
