* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    196    328     593
    1     0 S   NP   _N1_     1    28.07900    94.89681   -24.65328
    2     1 S   H    _HN1     2     1.02834    21.10038   155.66474
    3     1 S   H    _H1_     3     1.02775   108.37752  -112.12016
    4     1 S   H    _H2_     4     1.02957    87.34621    -3.66287
    5     1 S   CT   _CA1     5     1.50144   126.56337   109.88695
    6     5 S   HC   _HA1     6     1.09575   105.19901    75.19002
    7     5 S   CO3  _C1_     7     1.53779   112.34292   -44.96779
    8     7 S   O2Z  _O11     8     1.26368   114.98864   -43.83651
    9     7 S   O2Z  _O12     9     1.26233   114.92983   135.17598
   10     5 S   CT   _CB1    10     1.53090   107.40784  -166.92061
   11    10 S   HC   HB11    11     1.09829   109.30387   -50.39683
   12    10 S   HC   HB12    12     1.09815   110.44019    66.15038
   13    10 S   CT   _CG1    13     1.53023   112.69226  -171.45895
   14    13 S   HC   HG11    14     1.09594   110.50651   -65.01646
   15    13 S   HC   HG12    15     1.09659   109.90297    54.18913
   16    13 S   C    _CD1    16     1.51852   112.28325   174.53693
   17    16 S   O    _OE1    17     1.22759   123.27696     1.47724
   18    16 S   N    _N2_    18     1.38534   111.73507  -178.47851
   19    18 S   H    _HN2    19     1.01560   119.11841     3.55567
   20    18 S   CT1  _CA2    20     1.45883   122.88353   178.10370
   21    20 S   HC   _HA2    21     1.09724   108.87579    26.20105
   22    20 S   C    _C2_    22     1.52923   106.83238   -91.01516
   23    22 S   O    _O2_    23     1.23005   122.96174   -29.67558
   24    20 S   CT   _CB2    32     1.53344   112.20075   149.46887
   25    24 S   HC   HB21    33     1.09332   109.42429    55.32149
   26    24 S   HC   HB22    34     1.09408   109.55999   173.88820
   27    22 S   N    _N3_    24     1.38497   112.68175   153.01330
   28    27 S   H    _HN3    25     1.01664   120.36759    -1.47432
   29    24 S   S    _SG2    35     1.82739   110.57880   -66.07845
   30    27 S   CT   _CA3    26     1.45353   122.36994   178.68806
   31    30 S   HC   HA31    27     1.09572   107.55340   -60.97711
   32    30 S   HC   HA32    28     1.09573   107.82181    55.29802
   33    29 S   CT   _C17    36     1.92666   102.51283   170.78311
   34    30 S   CO3  _C3_    29     1.52875   114.47637   177.22314
   35    34 S   O2Z  _O31    30     1.26314   116.13054    -1.90916
   36    34 S   O2Z  _O32    31     1.26461   114.37870   178.16538
   37    33 S   CT   _C18    37     1.60165   109.90677    53.12309
   38    37 S   OM   _O34    38     1.32391   110.24333    57.18019
   39    37 S   HC   _H8_    39     1.10142   102.91243   -67.85011
   40    33 S   CT   _C16    59     1.58405   103.75096   176.76505
   41    40 S   HC   _H7_    60     1.09889   109.06714   -48.68398
   42    33 S   CT   _C19    96     1.56874   105.93782   -64.73665
   43    42 S   HC   _H15    97     1.09100   111.37087  -168.98567
   44    42 S   HC   _H16    98     1.09480   111.10168    73.09607
   45    37 S   CT   _C9_    40     1.58805   114.17999  -177.40965
   46    45 S   HC   _H5_    41     1.09437   105.20215    38.60890
   47    40 S   OH   _O36    61     1.43942   108.48411    65.73486
   48    47 S   HO   _H18    62     0.97243   108.29595  -173.64600
   49    42 S   OH   _O35    99     1.42362   114.14485   -48.46639
   50    49 S   HO   _H17   100     0.97175   107.21364  -176.51625
   51    45 S   CT   _C8_    42     1.55690   111.00382   152.28821
   52    51 S   HC   _H4_    43     1.09435   110.73924   -53.30119
   53    51 S   CT   _C7_    44     1.55140   113.03844   177.54712
   54    51 S   OS   _O39    82     1.42926   106.81281    65.95079
   55    53 S   CT   _C6_    45     1.53399   111.83542    18.78225
   56    55 S   HC   _H12    46     1.09765   110.26643   178.07624
   57    55 S   HC   _H13    47     1.09803   109.89295    61.86091
   58    53 S   OS   _O40    83     1.44572   104.17578   -93.67197
   59    53 S   CM   _C28    88     1.52675   112.34429   147.06142
   60    55 S   CT   _C5_    48     1.56030   112.16010   -59.06889
   61    60 S   HC   _H3_    49     1.09280   104.45586   148.65743
   62    59 S   CM   _C29    89     1.34469   123.40233   107.48279
   63    62 S   HC   _H28    90     1.08538   121.35957  -179.97202
   64    62 S   HC   _H29    91     1.08453   122.18844    -0.22642
   65    59 S   CT   _C30    92     1.50766   117.09386   -72.36191
   66    65 S   HC   _H30    93     1.09437   110.58298   -66.91209
   67    65 S   HC   _H31    94     1.09395   111.01423    53.66365
   68    65 S   HC   _H32    95     1.09560   112.05962   173.43368
   69    45 S   CT   _C10    50     1.57359   120.73960   -82.57179
   70    60 S   CT   _C4_    84     1.53883   109.49836   -98.79878
   71    70 S   HC   _H9_    85     1.09262   112.95390    75.19811
   72    70 S   HC   _H10    86     1.09610   110.66019   -45.24247
   73    70 S   HC   _H11    87     1.09100   111.75082  -162.55267
   74    69 S   CT   _C11    51     1.55724   111.43000    33.40919
   75    74 S   HC   _H6_    52     1.09927   107.05964   -75.78598
   76    69 S   OS   _O38    69     1.46177   109.39565   -81.29158
   77    74 S   CM   _C12    53     1.50673   117.32282   172.34778
   78    77 S   HC   _H14    54     1.08304   121.87088    42.18490
   79    76 S   CO   _C21    70     1.44025   115.68564   -42.49119
   80    77 S   CM   _C13    55     1.33441   115.15333  -144.76393
   81    79 S   CA   _C22    71     1.51353   107.45899   177.74805
   82    80 S   CO4  _C14    56     1.47339   105.54521     2.28730
   83    82 S   O    _O33    57     1.22320   122.56451  -173.98474
   84    80 S   CT   _C20    65     1.47749   130.25757  -175.46357
   85    84 S   HC   _H20    66     1.09444   110.59708   119.54375
   86    84 S   HC   _H21    67     1.09476   111.40649    -0.48416
   87    84 S   HC   _H22    68     1.09442   110.45421  -120.41971
   88    81 S   CA   _C23    72     1.40493   120.35204   -82.28039
   89    88 S   HA   _H23    73     1.08797   120.28733    -1.06514
   90    74 S   CT   _C15    58     1.54682   118.18128    46.50598
   91    88 S   CA   _C24    74     1.39631   120.87869   178.67677
   92    91 S   HA   _H24    75     1.08622   119.88188   179.72517
   93    90 S   OH   _O37    63     1.41950   114.26850    36.30245
   94    93 S   HO   _H19    64     0.97185   109.02939    63.59728
   95    91 S   CA   _C25    76     1.39242   120.05941    -0.53082
   96    95 S   HA   _H25    77     1.08598   120.06943  -179.90513
   97    95 S   CA   _C26    78     1.39269   119.84764    -0.29208
   98    97 S   HA   _H26    79     1.08627   119.98102  -179.45571
   99    81 S   CA   _C27    80     1.40398   121.32454    94.98585
  100    99 S   HA   _H27    81     1.08731   120.58613     1.11908
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  20   2   1   1  20   7   6  18   7   7   3   2  18   8   5   1
   1   1  16   7  20   9  16   7   6  10   9  12   7   6   2   1
   3   2   1   1  15   5   2   1   1  12   7   6  10   4   7   8
   9   8   3   4   2   1   1   8   4   2   6   3   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    90    40    41    47    42    43    44    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    51    69    74    82    90    40    41    47    48    93    42    43    44    49    50  
   35    36  
   36  
    0  
   38    39    45    46    51    52    53    60    69    74    90    40    41    47    76    54    42    43    44    49  
   39    45    46    51    69    40    42  
   45    46    51    69    40    42  
   41    47    48    93    94    42    43    44    49    45    69    74    75    77    80    82    83    90  
   47    48    93    42    74    82    90  
   43    44    49    50    45    47    90  
   44    49    50  
   49    50  
   46    51    52    53    55    60    61    69    74    75    77    90    76    79    54    58    70    59  
   51    52    53    60    69    74    76    54  
   48    93    74    82    90  
   90  
   50  
    0  
   52    53    55    56    57    60    69    74    76    79    81    54    58    59    62    65  
   53    55    69    79    54    58    59  
   55    56    57    60    61    69    76    79    81    54    58    70    59    62    63    64    65    66    67    68  
   58    59    55    69    76    79    81    88    99  
   56    57    60    61    69    74    76    79    58    70    71    72    73    59    62    65  
   57    60    61    69    58    70    59  
   60    61    69    58    70    59  
   59    62    65    60    69    76    79    81    88    99  
   62    63    64    65    66    67    68    60    79  
   61    69    74    75    77    90    76    79    70    71    72    73  
   69    74    76    70    71    72    73  
   63    64    65    66    67    68  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   74    75    77    78    80    82    90    93    76    79    81    70    71    72    73  
   71    72    73    74    76  
   72    73  
   73  
    0  
   75    77    78    80    82    83    90    93    94    84    76    79  
   77    78    80    82    90    93    76  
   79    81    88    99    77    90  
   78    80    82    83    90    93    84    85    86    87  
   80    82    90    84  
   81    88    89    91    97    99   100  
   82    83    90    93    84    85    86    87  
   88    89    91    92    95    97    98    99   100  
   83    90    93    94    84    85    86    87  
   90    93    84  
   85    86    87    90  
   86    87  
   87  
    0  
   89    91    92    95    96    97    99   100  
   91    92    95    99  
   93    94  
   92    95    96    97    98    99  
   95    96    97  
   94  
    0  
   96    97    98    99   100  
   97    98    99  
   98    99   100  
   99   100  
  100  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   39   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.715000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   99   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.307
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    69   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    54   320.000  1.410
   53    55   268.000  1.529
   53    58   320.000  1.410
   53    59   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    69   268.000  1.529
   60    70   268.000  1.529
   69    74   268.000  1.529
   69    76   320.000  1.410
   74    75   340.000  1.090
   74    77   317.000  1.510
   74    90   268.000  1.529
   77    78   340.000  1.080
   77    80   549.000  1.340
   80    82   320.000  1.462
   80    84   317.000  1.510
   82    83   570.000  1.229
   82    90   317.000  1.522
   90    40   268.000  1.529
   90    93   320.000  1.410
   40    41   340.000  1.090
   40    47   320.000  1.410
   47    48   553.000  0.945
   93    94   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   76    79   320.000  1.380
   79    81   270.000  1.504
   79    54   320.000  1.380
   79    58   320.000  1.380
   81    88   469.000  1.400
   81    99   469.000  1.400
   88    89   367.000  1.080
   88    91   469.000  1.400
   91    92   367.000  1.080
   91    95   469.000  1.400
   95    96   367.000  1.080
   95    97   469.000  1.400
   97    98   367.000  1.080
   97    99   469.000  1.400
   99   100   367.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   59    62   549.000  1.340
   59    65   317.000  1.510
   62    63   340.000  1.080
   62    64   340.000  1.080
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   320.000  1.410
   49    50   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    50.00000  109.50000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    90    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    47    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    49    50.00000  109.50000
   37    45    46    37.50000  110.70000
   37    45    51    58.35000  112.70000
   37    45    69    58.35000  112.70000
   39    37    38    45.00000  125.66300
   45    37    38    50.00000  109.50000
   45    37    39    37.50000  110.70000
   45    51    52    37.50000  110.70000
   45    51    53    58.35000  112.70000
   45    51    54    50.00000  109.50000
   45    69    60    58.35000  112.70000
   45    69    74    58.35000  112.70000
   45    69    76    50.00000  109.50000
   51    45    46    37.50000  110.70000
   51    53    55    58.35000  112.70000
   51    53    58    50.00000  109.50000
   51    53    59    70.00000  112.02700
   51    54    79    60.00000  109.50000
   53    51    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    60    58.35000  112.70000
   53    58    79    60.00000  109.50000
   53    59    62    70.00000  124.00000
   53    59    65    65.00000  117.92700
   55    60    61    37.50000  110.70000
   55    60    69    58.35000  112.70000
   55    60    70    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    69    74    58.35000  112.70000
   60    69    76    50.00000  109.50000
   60    70    71    37.50000  110.70000
   60    70    72    37.50000  110.70000
   60    70    73    37.50000  110.70000
   69    45    46    37.50000  110.70000
   69    45    51    58.35000  112.70000
   69    60    61    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    77    70.00000  112.02700
   69    74    90    58.35000  112.70000
   69    76    79    60.00000  109.50000
   74    77    78    35.00000  117.00000
   74    77    80    70.00000  124.00000
   74    90    82    63.00000  111.10000
   74    90    40    58.35000  112.70000
   74    90    93    50.00000  109.50000
   77    74    75    35.00000  109.50000
   77    80    82    65.00000  118.96000
   77    80    84    70.00000  124.00000
   80    77    78    35.00000  120.00000
   80    82    83    80.00000  123.72100
   80    82    90    65.00000  118.62400
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   82    90    40    63.00000  111.10000
   82    90    93    90.00000  109.61100
   90    74    75    37.50000  110.70000
   90    74    77    70.00000  112.02700
   90    82    83    80.00000  120.40000
   90    40    41    37.50000  110.70000
   90    40    47    50.00000  109.50000
   90    93    94    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    47    48    55.00000  108.50000
   47    40    41    35.00000  109.50000
   93    90    40    50.00000  109.50000
   84    80    82    65.00000  116.34900
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   76    69    74    50.00000  109.50000
   76    79    81    90.00000  107.97000
   76    79    54    92.60000  111.55000
   76    79    58    92.60000  111.55000
   79    81    88    60.00000  120.68000
   79    81    99    60.00000  120.68000
   81    88    89    35.00000  120.00000
   81    88    91    63.00000  120.00000
   81    99    97    63.00000  120.00000
   81    99   100    35.00000  120.00000
   88    91    92    35.00000  120.00000
   88    91    95    63.00000  120.00000
   91    88    89    35.00000  120.00000
   91    95    96    35.00000  120.00000
   91    95    97    63.00000  120.00000
   95    91    92    35.00000  120.00000
   95    97    98    35.00000  120.00000
   95    97    99    63.00000  120.00000
   97    95    96    35.00000  120.00000
   97    99   100    35.00000  120.00000
   99    81    88    63.00000  120.00000
   99    97    98    35.00000  120.00000
   54    51    52    35.00000  109.50000
   54    51    53    50.00000  109.50000
   54    79    81    90.00000  107.97000
   58    53    55    50.00000  109.50000
   58    79    81    90.00000  107.97000
   58    79    54    92.60000  111.55000
   70    60    61    37.50000  110.70000
   70    60    69    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   59    53    55    70.00000  112.02700
   59    53    58    85.00000  110.90400
   59    62    63    35.00000  120.00000
   59    62    64    35.00000  120.00000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   64    62    63    35.00000  117.00000
   65    59    62    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    49    50    55.00000  108.50000
   44    42    43    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    44    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    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
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   98    97    99    81   3.62500 -1.0 2.0
   98    97    99   100   3.62500 -1.0 2.0
   99    81    88    89   3.62500 -1.0 2.0
   99    81   -88    91   3.62500 -1.0 2.0
   54    51    53    55   0.62750  1.0 1.0
   54    51    53    55  -0.30950 -1.0 2.0
   54    51    53    55   0.27300  1.0 3.0
   54    51   -53    58   1.11900  1.0 1.0
   54    51   -53    58  -1.16350 -1.0 2.0
   54    51   -53    58  -0.34150  1.0 3.0
   54    51    53    59   0.61850  1.0 1.0
   54    51    53    59  -0.22750 -1.0 2.0
   54    51    53    59   0.15300  1.0 3.0
   54    79    81    88   0.64500  1.0 1.0
   54    79    81    88   0.14800 -1.0 2.0
   54    79    81    88   0.20650  1.0 3.0
   54    79    81    99   0.64500  1.0 1.0
   54    79    81    99   0.14800 -1.0 2.0
   54    79    81    99   0.20650  1.0 3.0
   54    79   -58    53  -0.53350  1.0 1.0
   54    79   -58    53  -0.78350 -1.0 2.0
   54    79   -58    53   0.33750  1.0 3.0
   58    53    55    56   0.23400  1.0 3.0
   58    53    55    57   0.23400  1.0 3.0
   58    53    55    60   0.62750  1.0 1.0
   58    53    55    60  -0.30950 -1.0 2.0
   58    53    55    60   0.27300  1.0 3.0
   58    53    59    62   0.39000  1.0 1.0
   58    53    59    62  -0.05800 -1.0 2.0
   58    53    59    62  -0.55150  1.0 3.0
   58    53    59    65   0.09700  1.0 1.0
   58    53    59    65   0.15600 -1.0 2.0
   58    53    59    65  -0.50800  1.0 3.0
   58    79    81    88   0.64500  1.0 1.0
   58    79    81    88   0.14800 -1.0 2.0
   58    79    81    88   0.20650  1.0 3.0
   58    79    81    99   0.64500  1.0 1.0
   58    79    81    99   0.14800 -1.0 2.0
   58    79    81    99   0.20650  1.0 3.0
   58    79   -54    51  -0.53350  1.0 1.0
   58    79   -54    51  -0.78350 -1.0 2.0
   58    79   -54    51   0.33750  1.0 3.0
   70    60    69    45   0.56750  1.0 1.0
   70    60    69    45  -0.07550 -1.0 2.0
   70    60    69    45   0.20000  1.0 3.0
   70    60    69    74   0.56750  1.0 1.0
   70    60    69    74  -0.07550 -1.0 2.0
   70    60    69    74   0.20000  1.0 3.0
   70    60    69    76   0.62750  1.0 1.0
   70    60    69    76  -0.30950 -1.0 2.0
   70    60    69    76   0.27300  1.0 3.0
   59    53    55    56   0.15000  1.0 3.0
   59    53    55    57   0.15000  1.0 3.0
   59    53    55    60   0.34400  1.0 1.0
   59    53    55    60   0.09450 -1.0 2.0
   59    53    55    60   0.11100  1.0 3.0
   59    53    58    79  -0.77900  1.0 1.0
   59    53    58    79  -0.36900 -1.0 2.0
   59    53    58    79   0.40400  1.0 3.0
   62    59    65    66   0.00000  1.0 1.0
   62    59    65    67   0.00000  1.0 1.0
   62    59    65    68   0.00000  1.0 1.0
   65    59    62    63   7.00000 -1.0 2.0
   65    59    62    64   7.00000 -1.0 2.0
   42    33    37    38   0.62750  1.0 1.0
   42    33    37    38  -0.30950 -1.0 2.0
   42    33    37    38   0.27300  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45   0.56750  1.0 1.0
   42    33    37    45  -0.07550 -1.0 2.0
   42    33    37    45   0.20000  1.0 3.0
   42    33    40    90   0.56750  1.0 1.0
   42    33    40    90  -0.07550 -1.0 2.0
   42    33    40    90   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    47   0.86500  1.0 1.0
   42    33    40    47  -0.17500 -1.0 2.0
   42    33    40    47   0.20800  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   44    42    49    50   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
   35    30    34    36  10.50000 -1.0 2.0
   74    78    77    80   1.10000 -1.0 2.0
   82    84    80    77   1.10000 -1.0 2.0
   80    90    82    83  10.50000 -1.0 2.0
   88    99    81    79   4.00000 -1.0 2.0
   91    89    88    81   1.10000 -1.0 2.0
   95    92    91    88   1.10000 -1.0 2.0
   97    96    95    91   1.10000 -1.0 2.0
   99    98    97    95   1.10000 -1.0 2.0
   97   100    99    81   1.10000 -1.0 2.0
   53    65    59    62  15.00000 -1.0 2.0
   63    64    62    59  15.00000 -1.0 2.0
END
