* LIGAND DATABASE FILE (OPLS2005)
*
001      96    97    170    262     499
    1     0 S   NP   _N1_     1    28.86688    97.64704   -23.47213
    2     1 S   H    _HN1     2     1.02949    65.36247    11.34684
    3     1 S   H    _H1_     3     1.02828    44.99623   167.62407
    4     1 S   H    _H2_     4     1.02786   105.29550   -92.18422
    5     1 S   CT   _CA1     5     1.50109   141.05922   103.79311
    6     5 S   HC   _HA1     6     1.09572   105.19693   101.96497
    7     5 S   CO3  _C1_     7     1.53793   112.48541   -18.28058
    8     7 S   O2Z  _O11     8     1.26372   115.00771   -42.08201
    9     7 S   O2Z  _O12     9     1.26242   114.95284   137.08075
   10     5 S   CT   _CB1    10     1.53081   107.42294  -140.03231
   11    10 S   HC   HB11    11     1.09832   109.38682   -49.58863
   12    10 S   HC   HB12    12     1.09812   110.44033    67.02844
   13    10 S   CT   _CG1    13     1.52985   112.59749  -170.55952
   14    13 S   HC   HG11    14     1.09581   110.63232   -65.54921
   15    13 S   HC   HG12    15     1.09671   109.78136    53.67859
   16    13 S   C    _CD1    16     1.51798   112.24251   174.15219
   17    16 S   O    _OE1    17     1.22729   123.28232     6.97089
   18    16 S   N    _N2_    18     1.38638   111.63873  -173.09155
   19    18 S   H    _HN2    19     1.01572   118.98093     1.73878
   20    18 S   CT1  _CA2    20     1.46274   123.49156   177.80920
   21    20 S   HC   _HA2    21     1.09739   109.28949     4.13863
   22    20 S   C    _C2_    22     1.53605   108.75178  -111.26718
   23    22 S   O    _O2_    23     1.23042   122.34538  -149.55992
   24    20 S   CT   _CB2    32     1.53333   111.39926   126.02678
   25    24 S   HC   HB21    33     1.09588   109.97644    55.71152
   26    24 S   HC   HB22    34     1.09475   110.28380   174.91616
   27    22 S   N    _N3_    24     1.38366   113.75870    38.06718
   28    27 S   H    _HN3    25     1.01563   119.57734    -3.44816
   29    24 S   S    _SG2    35     1.83010   111.21493   -65.07061
   30    27 S   CT   _CA3    26     1.45284   123.23610   177.04004
   31    30 S   HC   HA31    27     1.09549   107.52916   -64.03830
   32    30 S   HC   HA32    28     1.09556   107.96676    52.40230
   33    29 S   CT   _C16    36     1.83667    99.43633   170.68266
   34    33 S   HC   _H5_    37     1.09490   105.96688   -50.92709
   35    30 S   CO3  _C3_    29     1.52967   114.06824   174.37371
   36    35 S   O2Z  _O31    30     1.26381   116.07162    -0.96591
   37    35 S   O2Z  _O32    31     1.26430   114.42069   179.09000
   38    33 S   CM   _C15    38     1.50654   108.15004  -168.52429
   39    38 S   HC   _H24    39     1.08835   117.43504   -68.38814
   40    33 S   CM   _C17    71     1.51084   110.07986    69.72159
   41    40 S   HC   _H25    72     1.09134   115.84882    41.29106
   42    38 S   CM   _C14    40     1.34392   122.75631   113.78700
   43    42 S   HC   _H23    41     1.08815   119.36282    -2.86949
   44    40 S   CMA  _C18    73     1.35413   127.27706  -137.89947
   45    44 S   OM   _O36    74     1.26331   130.00724   177.48612
   46    42 S   CM   _C12    42     1.45637   125.37150   176.69714
   47    44 S   CM   _C19    75     1.48099   119.10845    -3.58976
   48    46 S   CM   _C11    43     1.34789   120.73550   -49.29399
   49    48 S   HC   _H19    44     1.09149   117.99099     1.87283
   50    46 S   CT   _C13    67     1.50248   113.62849   133.82779
   51    50 S   HC   _H20    68     1.09555   110.39350    68.35939
   52    50 S   HC   _H21    69     1.09624   110.41918   -51.30395
   53    50 S   HC   _H22    70     1.09211   113.34991  -170.58011
   54    47 S   CMA  _C20    76     1.36710   122.91045   -83.71538
   55    54 S   OM   _O35    77     1.26598   130.33504    -3.46944
   56    48 S   CT   _C9_    45     1.51079   128.11659  -175.85235
   57    56 S   HC   _H4_    46     1.09292   111.40885     4.13062
   58    54 S   CM   _C21    78     1.48728   118.56632   176.13370
   59    56 S   CT   _C10    47     1.53187   109.03550  -113.77369
   60    59 S   HC   _H16    48     1.09602   111.63283   -61.26736
   61    59 S   HC   _H17    49     1.09541   110.68735   178.58584
   62    59 S   HC   _H18    50     1.09586   110.95559    59.15618
   63    56 S   CT   _C8_    51     1.54634   111.24820   124.88052
   64    63 S   HC   _H14    52     1.09875   108.98000    60.59820
   65    63 S   HC   _H15    53     1.09759   108.19758   175.68280
   66    58 S   CA   _C24    79     1.48612   125.93943  -176.72511
   67    58 S   CM   _C22    91     1.34449   119.72267     1.48754
   68    67 S   HC   _H26    92     1.08485   123.38360  -179.93744
   69    63 S   CT   _C6_    54     1.54641   115.16877   -61.89095
   70    69 S   HC   _H3_    55     1.09720   108.60284    53.98644
   71    66 S   CA   _C25    80     1.40222   120.51633   -92.09992
   72    71 S   HA   _H28    81     1.08727   120.44991     0.13270
   73    67 S   N    _N4_    93     1.36405   121.78441    -1.02946
   74    73 S   H    _H27    94     1.01436   118.18921  -179.31215
   75    69 S   CT   _C7_    56     1.53096   111.92679   -64.32610
   76    75 S   HC   _H11    57     1.09468   111.65439   -52.17386
   77    75 S   HC   _H12    58     1.09495   110.94543  -172.78708
   78    75 S   HC   _H13    59     1.09421   111.05714    68.14240
   79    69 S   CT   _C5_    60     1.54381   111.48058   170.20012
   80    79 S   HC   _H9_    61     1.09682   108.91181  -174.73140
   81    79 S   HC   _H10    62     1.09716   108.95970   -59.37857
   82    71 S   CA   _C26    82     1.39542   120.15529   179.67016
   83    82 S   HA   _H29    83     1.08607   119.83457  -179.72446
   84    47 S   C    _C23    95     1.51457   116.87721    92.71834
   85    84 S   O    _O33    96     1.23030   122.21870     1.26223
   86    79 S   CT   _C4_    63     1.52245   115.46397    63.12291
   87    86 S   HC   _H6_    64     1.09359   111.62908   -61.83079
   88    86 S   HC   _H7_    65     1.09369   111.61144    59.93496
   89    86 S   HC   _H8_    66     1.09509   109.78370   179.09129
   90    82 S   CA   _C27    84     1.39258   119.65183    -0.00000
   91    90 S   CA   _C28    85     1.39323   120.88986     0.02798
   92    91 S   HA   _H30    86     1.08577   121.05326  -179.71333
   93    90 S   OH   _O34    89     1.36661   118.15665  -179.67195
   94    93 S   HO   _H32    90     0.97234   108.48772   178.76473
   95    66 S   CA   _C29    87     1.40358   119.95767    87.47283
   96    95 S   HA   _H31    88     1.08743   120.41092    -0.20653
  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   8   5   4   3
  11   6   2   1   1   9   4   7   3   9   3   8   3  10   9  15
   5   4   2   1   1  10   4  12   8  12   7   3   2   1  12   5
   4  12   7   3  12   8   8   4   3   2   7   3   2   1   6   5
   4   7   3   1   1   3   2   1   1   6   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    48    50    40    41    44  
   42    43    46    40  
   41    44    45    47    54    84    42  
   44    45    47  
   43    46    48    49    56    50    51    52    53  
   46    48    50  
   45    47    54    55    58    73    84    85  
   47    54    84  
   48    49    56    57    59    63    50    51    52    53  
   54    55    58    66    67    73    74    84    85  
   49    56    57    59    60    61    62    63    64    65    69    50    51    52    53  
   56    57    59    63    50  
   51    52    53    56  
   52    53  
   53  
    0  
   55    58    66    71    95    67    68    73    84    85  
   58    66    67    84  
   57    59    60    61    62    63    64    65    69    70    75    79  
   59    60    61    62    63    64    65    69  
   66    71    72    82    91    95    96    67    68    73    74    84  
   60    61    62    63    64    65    69  
   61    62    63  
   62    63  
   63  
   64    65    69    70    75    76    77    78    79    80    81    86  
   65    69    70    75    79  
   69    70    75    79  
   71    72    82    83    90    91    92    95    96    67    68    73  
   68    73    74    84    85    71    95  
   73    74    84  
   70    75    76    77    78    79    80    81    86    87    88    89  
   75    76    77    78    79    80    81    86  
   72    82    83    90    91    95    96    93  
   82    83    90    95  
   74    84    85  
   84    85  
   76    77    78    79    80    81    86  
   77    78    79  
   78    79  
   79  
   80    81    86    87    88    89  
   81    86    87    88    89  
   86    87    88    89  
   83    90    91    92    95    93    94  
   90    91    93  
   85  
    0  
   87    88    89  
   88    89  
   89  
    0  
   91    92    95    96    93    94  
   92    95    96    93    94  
   95    96    93  
   94    95  
    0  
   96  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760  -1.259100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   74   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.435000   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
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   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    46   380.000  1.444
   46    48   549.000  1.340
   46    50   317.000  1.510
   48    49   340.000  1.080
   48    56   317.000  1.510
   56    57   340.000  1.090
   56    59   268.000  1.529
   56    63   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    75   268.000  1.529
   69    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    47   465.000  1.376
   47    54   465.000  1.376
   47    84   410.000  1.444
   54    55   745.000  1.250
   54    58   465.000  1.376
   58    66   320.000  1.460
   58    67   549.000  1.340
   66    71   469.000  1.400
   66    95   469.000  1.400
   71    72   367.000  1.080
   71    82   469.000  1.400
   82    83   367.000  1.080
   82    90   469.000  1.400
   90    91   469.000  1.400
   90    93   450.000  1.364
   91    92   367.000  1.080
   91    95   469.000  1.400
   95    96   367.000  1.080
   93    94   553.000  0.945
   67    68   340.000  1.080
   67    73   400.000  1.384
   73    74   434.000  1.010
   73    84   490.000  1.335
   84    85   570.000  1.229
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  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    46    48    70.00000  123.01800
   42    46    50    70.00000  124.00000
   46    42    43    35.00000  120.00000
   46    48    49    35.00000  120.00000
   46    48    56    70.00000  124.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   48    56    57    35.00000  109.50000
   48    56    59    70.00000  112.02700
   48    56    63    70.00000  112.02700
   56    48    49    35.00000  117.00000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    69    58.35000  112.70000
   59    56    57    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    59    58.35000  112.70000
   63    69    70    37.50000  110.70000
   63    69    75    58.35000  112.70000
   63    69    79    58.35000  112.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   69    79    80    37.50000  110.70000
   69    79    81    37.50000  110.70000
   69    79    86    58.35000  112.70000
   75    69    70    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    69    70    37.50000  110.70000
   79    69    75    58.35000  112.70000
   79    86    87    37.50000  110.70000
   79    86    88    37.50000  110.70000
   79    86    89    37.50000  110.70000
   81    79    80    33.00000  107.80000
   86    79    80    37.50000  110.70000
   86    79    81    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   50    46    48    70.00000  124.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    47    70.00000  123.01800
   44    40    41    40.00000  120.50800
   44    47    54    70.00000  117.34000
   44    47    84    60.00000  120.04000
   47    44    45    65.00000  137.10300
   47    54    55    65.00000  137.10300
   47    54    58    70.00000  123.01800
   47    84    73    80.00000  111.56200
   47    84    85    80.00000  125.30000
   54    58    66    60.00000  123.66000
   54    58    67    70.00000  117.34000
   58    54    55    65.00000  137.10300
   58    66    71    60.00000  118.70000
   58    66    95    60.00000  118.70000
   58    67    68    35.00000  120.00000
   58    67    73    75.00000  120.83300
   66    71    72    35.00000  120.00000
   66    71    82    63.00000  120.00000
   66    95    91    63.00000  120.00000
   66    95    96    35.00000  120.00000
   71    82    83    35.00000  120.00000
   71    82    90    63.00000  120.00000
   82    71    72    35.00000  120.00000
   82    90    91    63.00000  120.00000
   82    90    93    70.00000  120.00000
   90    82    83    35.00000  120.00000
   90    91    92    35.00000  120.00000
   90    91    95    63.00000  120.00000
   90    93    94    35.00000  113.00000
   91    95    96    35.00000  120.00000
   95    66    71    63.00000  120.00000
   95    91    92    35.00000  120.00000
   93    90    91    70.00000  120.00000
   67    58    66    60.00000  123.66000
   67    73    74    45.00000  117.55000
   67    73    84    70.00000  120.89900
   73    67    68    45.00000  111.09300
   73    84    85    80.00000  122.90000
   84    47    54    60.00000  120.04000
   84    73    74    35.00000  119.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    47   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    42    46    48   0.28850  1.0 1.0
   38    42    46    48   2.61350 -1.0 2.0
   38    42    46    48   0.78400  1.0 3.0
   38    42    46    50  -0.18600  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    48    49   7.00000 -1.0 2.0
   42    46    48    56   7.00000 -1.0 2.0
   42    46    50    51   0.00000  1.0 1.0
   42    46    50    52   0.00000  1.0 1.0
   42    46    50    53   0.00000  1.0 1.0
   43    42    46    48  -0.18600  1.0 3.0
   43    42    46    50   0.00000  1.0 1.0
   46    48    56    57   0.00000  1.0 1.0
   46    48    56    59   0.09850  1.0 1.0
   46    48    56    59   0.15250 -1.0 2.0
   46    48    56    59  -0.50650  1.0 3.0
   46    48    56    63   0.09850  1.0 1.0
   46    48    56    63   0.15250 -1.0 2.0
   46    48    56    63  -0.50650  1.0 3.0
   48    46    50    51   0.00000  1.0 1.0
   48    46    50    52   0.00000  1.0 1.0
   48    46    50    53   0.00000  1.0 1.0
   48    56    59    60   0.15000  1.0 3.0
   48    56    59    61   0.15000  1.0 3.0
   48    56    59    62   0.15000  1.0 3.0
   48    56    63    64   0.15000  1.0 3.0
   48    56    63    65   0.15000  1.0 3.0
   48    56    63    69   0.34400  1.0 1.0
   48    56    63    69   0.09450 -1.0 2.0
   48    56    63    69   0.11100  1.0 3.0
   49    48    56    57   0.33100  1.0 3.0
   49    48    56    59   0.00000  1.0 1.0
   49    48    56    63   0.00000  1.0 1.0
   56    63    69    70   0.15000  1.0 3.0
   56    63    69    75   0.56750  1.0 1.0
   56    63    69    75  -0.07550 -1.0 2.0
   56    63    69    75   0.20000  1.0 3.0
   56    63    69    79   0.56750  1.0 1.0
   56    63    69    79  -0.07550 -1.0 2.0
   56    63    69    79   0.20000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    69   0.15000  1.0 3.0
   59    56    63    64   0.15000  1.0 3.0
   59    56    63    65   0.15000  1.0 3.0
   59    56    63    69   0.56750  1.0 1.0
   59    56    63    69  -0.07550 -1.0 2.0
   59    56    63    69   0.20000  1.0 3.0
   63    56    59    60   0.15000  1.0 3.0
   63    56    59    61   0.15000  1.0 3.0
   63    56    59    62   0.15000  1.0 3.0
   63    69    75    76   0.15000  1.0 3.0
   63    69    75    77   0.15000  1.0 3.0
   63    69    75    78   0.15000  1.0 3.0
   63    69    79    80   0.15000  1.0 3.0
   63    69    79    81   0.15000  1.0 3.0
   63    69    79    86   0.56750  1.0 1.0
   63    69    79    86  -0.07550 -1.0 2.0
   63    69    79    86   0.20000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    75   0.15000  1.0 3.0
   64    63    69    79   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    75   0.15000  1.0 3.0
   65    63    69    79   0.15000  1.0 3.0
   69    79    86    87   0.15000  1.0 3.0
   69    79    86    88   0.15000  1.0 3.0
   69    79    86    89   0.15000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   70    69    79    80   0.15000  1.0 3.0
   70    69    79    81   0.15000  1.0 3.0
   70    69    79    86   0.15000  1.0 3.0
   75    69    79    80   0.15000  1.0 3.0
   75    69    79    81   0.15000  1.0 3.0
   75    69    79    86   0.56750  1.0 1.0
   75    69    79    86  -0.07550 -1.0 2.0
   75    69    79    86   0.20000  1.0 3.0
   79    69    75    76   0.15000  1.0 3.0
   79    69    75    77   0.15000  1.0 3.0
   79    69    75    78   0.15000  1.0 3.0
   80    79    86    87   0.15000  1.0 3.0
   80    79    86    88   0.15000  1.0 3.0
   80    79    86    89   0.15000  1.0 3.0
   81    79    86    87   0.15000  1.0 3.0
   81    79    86    88   0.15000  1.0 3.0
   81    79    86    89   0.15000  1.0 3.0
   50    46    48    49   7.00000 -1.0 2.0
   50    46    48    56   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    47    54   7.00000 -1.0 2.0
   40    44    47    84   7.00000 -1.0 2.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    47   7.00000 -1.0 2.0
   44    47    54    55   7.00000 -1.0 2.0
   44    47    54    58   7.00000 -1.0 2.0
   44    47    84    73   0.49500  1.0 1.0
   44    47    84    73   1.31600 -1.0 2.0
   44    47    84    73  -0.02300  1.0 3.0
   44    47    84    85   1.00000 -1.0 2.0
   45    44    47    54   7.00000 -1.0 2.0
   45    44    47    84   7.00000 -1.0 2.0
   47    54    58    66   7.00000 -1.0 2.0
   47    54    58    67   7.00000 -1.0 2.0
   54    47    84    73   0.49500  1.0 1.0
   54    47    84    73   1.31600 -1.0 2.0
   54    47    84    73  -0.02300  1.0 3.0
   54    47    84    85   1.00000 -1.0 2.0
   54    58    66    71   0.15800  1.0 1.0
   54    58    66    71   1.85350 -1.0 2.0
   54    58    66    71  -0.48700  1.0 3.0
   54    58    66    95   0.15800  1.0 1.0
   54    58    66    95   1.85350 -1.0 2.0
   54    58    66    95  -0.48700  1.0 3.0
   54    58    67    68   7.00000 -1.0 2.0
   54    58   -67    73   7.00000 -1.0 2.0
   55    54    58    66   7.00000 -1.0 2.0
   55    54    58    67   7.00000 -1.0 2.0
   58    66    71    72   3.62500 -1.0 2.0
   58    66    71    82   3.62500 -1.0 2.0
   58    66    95    91   3.62500 -1.0 2.0
   58    66    95    96   3.62500 -1.0 2.0
   58    67    73    74   0.78350 -1.0 2.0
   58    67    73    84  -0.18900  1.0 1.0
   58    67    73    84   1.70900 -1.0 2.0
   66    58    67    68   7.00000 -1.0 2.0
   66    58    67    73   7.00000 -1.0 2.0
   66    71    82    83   3.62500 -1.0 2.0
   66    71    82    90   3.62500 -1.0 2.0
   71    66    95    91   3.62500 -1.0 2.0
   71    66    95    96   3.62500 -1.0 2.0
   71    82   -90    91   3.62500 -1.0 2.0
   71    82    90    93   3.62500 -1.0 2.0
   72    71    82    83   3.62500 -1.0 2.0
   72    71    82    90   3.62500 -1.0 2.0
   82    90    91    92   3.62500 -1.0 2.0
   82    90    91    95   3.62500 -1.0 2.0
   82    90    93    94   0.84100 -1.0 2.0
   83    82    90    91   3.62500 -1.0 2.0
   83    82    90    93   3.62500 -1.0 2.0
   90    91   -95    66   3.62500 -1.0 2.0
   90    91    95    96   3.62500 -1.0 2.0
   91    90    93    94   0.84100 -1.0 2.0
   92    91    95    66   3.62500 -1.0 2.0
   92    91    95    96   3.62500 -1.0 2.0
   95    66    71    72   3.62500 -1.0 2.0
   95    66   -71    82   3.62500 -1.0 2.0
   93    90    91    92   3.62500 -1.0 2.0
   93    90    91    95   3.62500 -1.0 2.0
   67    58    66    71   0.15800  1.0 1.0
   67    58    66    71   1.85350 -1.0 2.0
   67    58    66    71  -0.48700  1.0 3.0
   67    58    66    95   0.15800  1.0 1.0
   67    58    66    95   1.85350 -1.0 2.0
   67    58    66    95  -0.48700  1.0 3.0
   67    73   -84    47   2.45000 -1.0 2.0
   67    73    84    85   2.67200 -1.0 2.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    84   1.44600  1.0 1.0
   74    73    84    47   2.56700 -1.0 2.0
   74    73    84    85   2.45000 -1.0 2.0
   84    47    54    55   7.00000 -1.0 2.0
   84    47   -54    58   7.00000 -1.0 2.0
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
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   42    50    46    48  15.00000 -1.0 2.0
   56    49    48    46  15.00000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   47    45    44    40  15.00000 -1.0 2.0
   44    84    47    54   1.10000 -1.0 2.0
   58    55    54    47   1.10000 -1.0 2.0
   54    66    58    67   1.10000 -1.0 2.0
   71    95    66    58   4.00000 -1.0 2.0
   82    72    71    66   1.10000 -1.0 2.0
   90    83    82    71   1.10000 -1.0 2.0
   91    93    90    82   4.00000 -1.0 2.0
   95    92    91    90   1.10000 -1.0 2.0
   91    96    95    66   1.10000 -1.0 2.0
   73    68    67    58   1.10000 -1.0 2.0
   74    84    73    67   1.00000 -1.0 2.0
   47    73    84    85  10.50000 -1.0 2.0
END
