* LIGAND DATABASE FILE (OPLS2005)
*
001      98   102    193    318     584
    1     0 S   NP   _N1_     1    30.67211    89.14519   -18.80759
    2     1 S   H    _HN1     2     1.02777   112.27890   -46.74833
    3     1 S   H    _H1_     3     1.02942   123.52070    85.23293
    4     1 S   H    _H2_     4     1.02848    23.59604    36.27498
    5     1 S   CT   _CA1     5     1.49856    88.38137  -160.28009
    6     5 S   HC   _HA1     6     1.09595   105.01189    53.22598
    7     5 S   CO3  _C1_     7     1.53746   112.67757   -66.77583
    8     7 S   O2Z  _O11     8     1.26300   115.17054   -49.61645
    9     7 S   O2Z  _O12     9     1.26259   114.86040   129.61825
   10     5 S   CT   _CB1    10     1.53118   107.73976   170.92136
   11    10 S   HC   HB11    11     1.09829   109.47031   -49.90207
   12    10 S   HC   HB12    12     1.09819   110.81688    66.73041
   13    10 S   CT   _CG1    13     1.52931   111.98870  -170.88764
   14    13 S   HC   HG11    14     1.09567   111.01095   -69.00574
   15    13 S   HC   HG12    15     1.09643   110.76457    49.82233
   16    13 S   C    _CD1    16     1.51269   110.46960   168.84546
   17    16 S   O    _OE1    17     1.22881   121.40010   -86.91732
   18    16 S   N    _N2_    18     1.38337   113.28762    92.09799
   19    18 S   H    _HN2    19     1.01580   119.44746     1.69027
   20    18 S   CT1  _CA2    20     1.46237   123.08344   179.36234
   21    20 S   HC   _HA2    21     1.09762   109.16730     5.92228
   22    20 S   C    _C2_    22     1.53652   109.00144  -109.65838
   23    22 S   O    _O2_    23     1.23074   122.15086  -145.60631
   24    20 S   CT   _CB2    32     1.53741   112.01544   127.53371
   25    24 S   HC   HB21    33     1.09302   109.15264    60.83668
   26    24 S   HC   HB22    34     1.09295   108.24231   179.87489
   27    22 S   N    _N3_    24     1.38485   113.82678    41.90794
   28    27 S   H    _HN3    25     1.01442   119.14560     0.02798
   29    24 S   S    _SG2    35     1.82666   110.98251   -60.33298
   30    27 S   CT   _CA3    26     1.45437   123.21942   175.70153
   31    30 S   HC   HA31    27     1.09539   109.02082    28.85573
   32    30 S   HC   HA32    28     1.09494   107.16582   145.76334
   33    29 S   CT   _C18    36     1.96493   105.45525  -178.00472
   34    30 S   CO3  _C3_    29     1.52918   113.29651   -94.52079
   35    34 S   O2Z  _O31    30     1.26393   115.47301   -44.60276
   36    34 S   O2Z  _O32    31     1.26375   114.96066   136.43331
   37    33 S   CT   _C19    37     1.59273   111.28111     4.89477
   38    37 S   OM   _O39    38     1.32061   111.96623   -83.79061
   39    37 S   HC   _H5_    39     1.09711   105.93240    46.65770
   40    33 S   CT   _C17    78     1.67879   104.76894  -122.89081
   41    37 S   CO4  _C20    40     1.54306   117.34044   156.33968
   42    41 S   O    _O36    41     1.23144   124.19436   156.28351
   43    40 S   CT   _C26    79     1.55593   111.54103   171.50070
   44    43 S   HC   _H21    80     1.09113   112.86574    95.66284
   45    43 S   HC   _H22    81     1.08806   113.35034   -25.84352
   46    43 S   HC   _H23    82     1.09050   114.08067  -143.60230
   47    41 S   OS   _O37    42     1.35065   116.24089   -33.15781
   48    47 S   CT   _C21    43     1.43885   122.44040    35.21185
   49    48 S   HC   _H6_    44     1.08793   105.22812    71.34394
   50    48 S   C5BC _C22    45     1.51213   108.10415  -178.06852
   51    33 S   CT   _C5_    53     1.62433   104.64030   119.20904
   52    50 S   C5BC _C23    46     1.42665   127.95716    37.90245
   53    52 S   HA   _H18    47     1.08099   127.30282     1.52071
   54    51 S   CT   _C6_    54     1.54742   110.72033    66.24113
   55    54 S   HC   _H10    55     1.09743   110.47640   -69.29212
   56    54 S   HC   _H11    56     1.09653   110.59974   176.22882
   57    51 S   CT   _C4_    95     1.56713   112.77575   -52.56416
   58    57 S   HC   _H7_    96     1.09357   112.61967   -63.47636
   59    57 S   HC   _H8_    97     1.09551   111.10063   176.48498
   60    57 S   HC   _H9_    98     1.09267   113.28374    59.18302
   61    52 S   C5A  _C24    48     1.37425   106.72674  -178.57866
   62    61 S   HA   _H19    49     1.08022   133.82406  -179.67494
   63    54 S   CT   _C7_    57     1.52176   114.41233    53.33484
   64    63 S   HC   _H12    58     1.09214   110.51189    63.63329
   65    63 S   HC   _H13    59     1.09073   105.23569   176.72511
   66    61 S   OA   _O38    50     1.35631   110.46184     0.81565
   67    63 S   CT   _C8_    60     1.54796   112.03418   -61.52211
   68    67 S   HC   _H3_    61     1.09984   105.20655   -52.94006
   69    50 S   C5A  _C25    51     1.38270   127.13741  -138.82014
   70    69 S   HA   _H20    52     1.08059   133.42704    -1.45656
   71    67 S   CT   _C9_    62     1.62168   114.52692  -164.22426
   72    71 S   CM   _C10    63     1.54728   107.47700    57.33575
   73    72 S   HC   _H14    64     1.08661   115.85778   -49.72427
   74    71 S   CT   _C14    71     1.59034   108.11773   177.86769
   75    74 S   HC   _H4_    72     1.10323   103.84034   -62.23476
   76    71 S   CT   _C29    91     1.53869   111.99892   -57.33341
   77    76 S   HC   _H30    92     1.09123   112.69950   -76.23812
   78    76 S   HC   _H31    93     1.09616   111.43648   163.38814
   79    76 S   HC   _H32    94     1.09476   112.09982    45.39628
   80    72 S   CM   _C11    65     1.33952   131.57119   131.20428
   81    80 S   HC   _H15    66     1.08532   120.26035  -176.03859
   82    74 S   CT   _C15    73     1.52872   112.10344    50.90847
   83    82 S   HC   _H16    74     1.09604   110.36639  -174.46087
   84    82 S   HC   _H17    75     1.08980   112.76000    67.85088
   85    80 S   CO4  _C12    67     1.46262   123.80847     5.82585
   86    85 S   O    _O33    68     1.22044   123.88856  -144.65861
   87    82 S   CO4  _C16    76     1.51092   110.87732   -56.88536
   88    87 S   O    _O35    77     1.23055   117.51886  -117.22805
   89    85 S   OS   _O34    69     1.35129   109.51166    43.67716
   90    89 S   CT   _C13    70     1.44283   116.07713   -98.04808
   91    90 S   CT   _C27    83     1.53878   105.25267   176.48459
   92    91 S   HC   _H24    84     1.09755   110.18127    55.75670
   93    91 S   HC   _H25    85     1.09049   112.63744   -61.31089
   94    91 S   HC   _H26    86     1.09396   112.53376   175.54025
   95    90 S   CT   _C28    87     1.54634   107.73255   -70.32857
   96    95 S   HC   _H27    88     1.09654   110.72653   -46.44414
   97    95 S   HC   _H28    89     1.09401   112.42278  -167.29786
   98    95 S   HC   _H29    90     1.09341   111.25923    71.63768
  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
  29   2   1   1  13   6   5  23   6   2  11   4   3   2   8  17
   6  10  14   6   4  12   6   5   4   2   1   1   4   2   9   4
   3   2  15   5   1   1  19  14   5  22   9   6   2   1   1   5
   3   8   4   3   5   2   2   1   9   8   7   3   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    48    51    54    67    87    40    43    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    48    49    50    51    54    55    56    63    67    68    71    82    87    88    40    43    44    45    46    57    58    59    60  
   35    36  
   36  
    0  
   38    39    41    42    47    48    51    54    67    87    40    43    57  
   39    41    42    47    51    40  
   41    42    47    51    40  
   43    44    45    46    76    57    41    48    51    54    63    64    65    67    68    71    72    74    82    83    84    87    88  
   42    47    48    49    50    51  
   47    48  
   44    45    46    51    63    67    68    71    82    87    88  
   45    46    67    87  
   46    67    87  
   67    87  
   48    49    50    52    69    51    54    57  
   49    50    52    53    61    66    69    70    51    54    55    56    63    57    58    59    60  
   50    52    69    51    54    57  
   52    53    61    62    66    69    70    51    54    57  
   54    55    56    63    64    65    67    87    57    58    59    60    52    69  
   53    61    62    66    69    70  
   61    62    66    69  
   55    56    63    64    65    67    68    71    57    58    59    60  
   56    63    64    65    67    57  
   63    64    65    67    57  
   58    59    60    63  
   59    60  
   60  
    0  
   62    66    69    70  
   66    69  
   64    65    67    68    71    72    74    87    76  
   65    67    68    71  
   67    68    71  
   69    70  
   68    71    72    73    80    90    74    75    82    87    88    76    77    78    79  
   71    72    74    87    76  
   70  
    0  
   72    73    80    81    85    89    90    74    75    82    83    84    87    91    95    76    77    78    79  
   73    80    81    85    86    89    90    74    75    82    76    77    78    79  
   80    81    85    74    76  
   75    82    83    84    87    88    91    92    93    94    95    96    97    98    76    77    78    79    80    85    89    90  
   82    83    84    87    91    95    76    89    90  
   77    78    79    80    82    90  
   78    79  
   79  
    0  
   81    85    86    89    90  
   85    86    89  
   83    84    87    88    91    95    89    90  
   84    87    88    90  
   87    88    90  
   86    89    90    91    95  
   89    90  
   88    90  
    0  
   90    91    92    93    94    95    96    97    98  
   91    92    93    94    95    96    97    98  
   92    93    94    95    96    97    98  
   93    94    95  
   94    95  
   95  
   96    97    98  
   97    98  
   98  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    51   268.000  1.529
   33    40   268.000  1.529
   37    38   570.000  1.307
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   285.000  1.502
   48    51   268.000  1.529
   50    52   469.000  1.424
   50    69   546.000  1.367
   52    53   367.000  1.080
   52    61   546.000  1.367
   61    62   367.000  1.080
   61    66   340.000  1.360
   66    69   340.000  1.360
   69    70   367.000  1.080
   51    54   268.000  1.529
   51    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    40   268.000  1.529
   71    72   317.000  1.510
   71    74   268.000  1.529
   71    76   268.000  1.529
   72    73   340.000  1.080
   72    80   549.000  1.340
   80    81   340.000  1.080
   80    85   320.000  1.462
   85    86   570.000  1.229
   85    89   214.000  1.327
   89    90   320.000  1.410
   90    74   268.000  1.529
   90    91   268.000  1.529
   90    95   268.000  1.529
   74    75   340.000  1.090
   74    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   317.000  1.522
   87    88   570.000  1.229
   87    40   317.000  1.522
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    50.00000  109.50000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    51    57    58.35000  112.70000
   33    40    67    58.35000  112.70000
   33    40    87    63.00000  111.10000
   33    40    43    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    47    81.00000  111.40000
   39    37    38    45.00000  125.66300
   41    37    38    90.00000  108.74100
   41    37    39    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    85.00000  111.85700
   47    48    51    50.00000  109.50000
   48    50    52    60.00000  130.00000
   48    50    69    60.00000  130.00000
   48    51    54    58.35000  112.70000
   48    51    57    58.35000  112.70000
   50    48    49    35.00000  109.50000
   50    52    53    35.00000  127.50000
   50    52    61    70.00000  107.30000
   50    69    66    70.00000  110.60000
   50    69    70    35.00000  132.10000
   52    61    62    35.00000  132.10000
   52    61    66    70.00000  110.60000
   61    52    53    35.00000  125.70000
   61    66    69    70.00000  106.50000
   66    61    62    35.00000  113.40000
   66    69    70    35.00000  113.40000
   69    50    52    70.00000  107.30000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    70.00000  112.17500
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    63    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    67    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    40    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    71    72    70.00000  112.02700
   67    71    74    58.35000  112.70000
   67    71    76    58.35000  112.70000
   67    40    87    63.00000  111.10000
   67    40    43    58.35000  112.70000
   71    67    68    37.50000  110.70000
   71    72    73    35.00000  117.00000
   71    72    80    70.00000  124.00000
   71    74    90    58.35000  112.70000
   71    74    75    37.50000  110.70000
   71    74    82    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    37.50000  110.70000
   72    80    81    35.00000  120.00000
   72    80    85    65.00000  118.96000
   80    72    73    35.00000  120.00000
   80    85    86    80.00000  123.72100
   80    85    89    90.00000  111.29400
   85    80    81    40.00000  117.72500
   85    89    90    83.00000  116.90000
   89    85    86    83.00000  123.40000
   89    90    74    50.00000  109.50000
   89    90    91    50.00000  109.50000
   89    90    95    50.00000  109.50000
   90    74    75    37.50000  110.70000
   90    74    82    58.35000  112.70000
   90    91    92    37.50000  110.70000
   90    91    93    37.50000  110.70000
   90    91    94    37.50000  110.70000
   90    95    96    37.50000  110.70000
   90    95    97    37.50000  110.70000
   90    95    98    37.50000  110.70000
   74    71    72    70.00000  112.02700
   74    82    83    37.50000  110.70000
   74    82    84    37.50000  110.70000
   74    82    87    63.00000  111.10000
   82    74    75    37.50000  110.70000
   82    87    88    80.00000  120.40000
   82    87    40    70.00000  116.00000
   84    82    83    33.00000  107.80000
   87    82    83    35.00000  109.50000
   87    82    84    35.00000  109.50000
   87    40    43    63.00000  111.10000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    67    71    58.35000  112.70000
   40    87    88    80.00000  120.40000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   91    90    74    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   95    90    74    58.35000  112.70000
   95    90    91    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   76    71    72    70.00000  112.02700
   76    71    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   57    51    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.56750  1.0 1.0
   29    33    37    38  -0.07550 -1.0 2.0
   29    33    37    38   0.20000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
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   57    51    54    63   0.56750  1.0 1.0
   57    51    54    63  -0.07550 -1.0 2.0
   57    51    54    63   0.20000  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    47    41    42  10.50000 -1.0 2.0
   52    69    50    48   4.00000 -1.0 2.0
   61    53    52    50   1.10000 -1.0 2.0
   66    62    61    52   1.10000 -1.0 2.0
   66    70    69    50   1.10000 -1.0 2.0
   71    73    72    80   1.10000 -1.0 2.0
   85    81    80    72   1.10000 -1.0 2.0
   80    89    85    86  10.50000 -1.0 2.0
   82    40    87    88  10.50000 -1.0 2.0
END
