* LIGAND DATABASE FILE (OPLS2005)
*
001      98   101    193    314     583
    1     0 S   NP   _N1_     1    28.70160    96.18883   -23.62272
    2     1 S   H    _HN1     2     1.02951    72.77545    17.05898
    3     1 S   H    _H1_     3     1.02829    37.21473   173.47159
    4     1 S   H    _H2_     4     1.02786   105.87872   -87.69896
    5     1 S   CT   _CA1     5     1.50112   137.68158   118.68999
    6     5 S   HC   _HA1     6     1.09574   105.20160    91.13948
    7     5 S   CO3  _C1_     7     1.53793   112.46019   -29.09778
    8     7 S   O2Z  _O11     8     1.26373   115.00752   -42.54240
    9     7 S   O2Z  _O12     9     1.26242   114.94883   136.61051
   10     5 S   CT   _CB1    10     1.53083   107.42128  -150.87611
   11    10 S   HC   HB11    11     1.09832   109.38033   -49.78932
   12    10 S   HC   HB12    12     1.09814   110.44010    66.81856
   13    10 S   CT   _CG1    13     1.52987   112.60331  -170.77665
   14    13 S   HC   HG11    14     1.09584   110.60743   -65.31435
   15    13 S   HC   HG12    15     1.09669   109.80838    53.91466
   16    13 S   C    _CD1    16     1.51799   112.25982   174.36744
   17    16 S   O    _OE1    17     1.22730   123.30284     5.86996
   18    16 S   N    _N2_    18     1.38652   111.64779  -174.22735
   19    18 S   H    _HN2    19     1.01584   118.94657     1.70949
   20    18 S   CT1  _CA2    20     1.46176   123.37741   177.76875
   21    20 S   HC   _HA2    21     1.09739   109.37326     1.46045
   22    20 S   C    _C2_    22     1.53521   108.62835  -114.03388
   23    22 S   O    _O2_    23     1.23056   122.27569  -148.08948
   24    20 S   CT   _CB2    32     1.53306   111.56826   123.45617
   25    24 S   HC   HB21    33     1.09503   110.08208    56.56776
   26    24 S   HC   HB22    34     1.09523   110.09633   175.57420
   27    22 S   N    _N3_    24     1.38329   113.68752    39.36514
   28    27 S   H    _HN3    25     1.01592   119.57505    -3.35018
   29    24 S   S    _SG2    35     1.82820   111.47053   -64.85419
   30    27 S   CT   _CA3    26     1.45289   123.20828   177.11344
   31    30 S   HC   HA31    27     1.09550   107.51702   -64.42021
   32    30 S   HC   HA32    28     1.09558   107.97385    52.01205
   33    29 S   CT   _C19    36     1.85185    99.66667  -179.60189
   34    33 S   HC   _H3_    37     1.09815   107.25625    28.51522
   35    30 S   CO3  _C3_    29     1.52961   114.08447   174.01097
   36    35 S   O2Z  _O31    30     1.26376   116.06208    -0.49019
   37    35 S   O2Z  _O32    31     1.26428   114.41518   179.56479
   38    33 S   CT   _C9_    38     1.53178   104.79789   -86.15271
   39    38 S   HC   _H34    39     1.09664   110.99730    57.36906
   40    38 S   HC   _H35    40     1.09659   112.47557   -63.75364
   41    38 S   CO4  _C6_    41     1.49995   110.35670   175.61970
   42    41 S   O    _O25    42     1.22847   122.30807  -142.42435
   43    41 S   CM   _C4_    43     1.47246   117.44685    42.06538
   44    43 S   HC   _H33    44     1.08475   116.09392   165.20789
   45    43 S   CM   _C5_    45     1.34305   121.38757   -11.36708
   46    45 S   CT   _C13    46     1.51177   118.71625   173.97188
   47    46 S   F    _F31    47     1.36658   112.01263     4.53959
   48    46 S   HC   _H42    48     1.09463   109.82505  -112.94802
   49    46 S   CT   _C10    49     1.51429   111.36498   124.58816
   50    49 S   HC   _H36    50     1.09656   108.31570   177.59385
   51    49 S   HC   _H37    51     1.09834   109.42040   -67.60370
   52    49 S   CT   _C14    52     1.53290   112.00988    55.31712
   53    52 S   HC   _H43    53     1.09486   107.72738    64.13222
   54    52 S   CT   _C15    54     1.53884   109.71411  -176.65180
   55    54 S   HC   _H44    55     1.10279   105.87041    63.30852
   56    52 S   CT   _C16    68     1.56897   110.71824   -55.62503
   57    56 S   HC   _H45    69     1.10312   104.98502   -59.32268
   58    54 S   CT   _C11    56     1.52593   118.23847   -54.77454
   59    58 S   HC   _H38    57     1.09651   110.90790   -42.26824
   60    58 S   HC   _H39    58     1.09529   111.48815    77.28867
   61    33 S   CT   _C20    70     1.59041   116.33886   148.44962
   62    58 S   CT   _C17    59     1.54794   104.74129  -160.86110
   63    62 S   HC   _H46    60     1.09776   106.63564   123.08601
   64    61 S   CT   _C25    71     1.54929   111.34653    44.65785
   65    64 S   HC   _H55    72     1.09130   113.51172   -55.69814
   66    64 S   HC   _H56    73     1.09427   112.41460  -176.13664
   67    64 S   HC   _H57    74     1.09686   111.00296    64.30191
   68    62 S   CT   _C21    61     1.56995   106.17129     5.71066
   69    62 S   CT   _C24    95     1.52650   111.62388  -120.59115
   70    69 S   HC   _H52    96     1.09497   111.79688    57.47461
   71    69 S   HC   _H53    97     1.09541   110.34503   -62.07106
   72    69 S   HC   _H54    98     1.09462   110.86503   178.67588
   73    54 S   CT   _C22    62     1.54576   114.13014  -177.69378
   74    68 S   CO4  _C7_    81     1.54141   112.42277   147.56853
   75    74 S   O    _O26    82     1.23300   121.48385    -1.80233
   76    68 S   OH   _O29    93     1.42676   110.33460   -93.88468
   77    76 S   HO   _H64    94     0.97236   108.64686   -64.21469
   78    73 S   CT   _C12    63     1.54316   106.05928   -61.32617
   79    78 S   HC   _H40    64     1.09704   110.03653   -65.50164
   80    78 S   HC   _H41    65     1.09463   109.93204   177.37870
   81    73 S   CT   _C26    77     1.55161   113.30010    60.64645
   82    81 S   HC   _H58    78     1.09437   112.68824    68.38713
   83    81 S   HC   _H59    79     1.09143   113.22776   -51.81311
   84    81 S   HC   _H60    80     1.09539   110.72013  -171.99428
   85    74 S   CT   _C27    83     1.52035   117.72474   177.79149
   86    85 S   HC   _H61    84     1.09255   108.81887    76.73393
   87    85 S   HC   _H62    85     1.09364   109.73063   -45.42738
   88    78 S   CT   _C18    66     1.54471   113.71144    55.03146
   89    88 S   HC   _H47    67     1.09294   105.74891  -171.20118
   90    85 S   OS   _O30    86     1.43065   108.54973  -164.63372
   91    88 S   OH   _O28    75     1.41965   109.16854    73.61287
   92    91 S   HO   _H63    76     0.97242   107.78276    61.03036
   93    90 S   CO4  _C8_    87     1.36253   115.24682  -178.62101
   94    93 S   O    _O27    88     1.22339   126.18374    -0.09487
   95    93 S   CT   _C23    89     1.49832   109.63627   179.91844
   96    95 S   HC   _H49    90     1.09290   109.83503   -60.89830
   97    95 S   HC   _H50    91     1.09381   109.35637  -179.93439
   98    95 S   HC   _H51    92     1.09289   109.83507    61.01839
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  10   5   4   6   3   9   3  15  11   6   5
  12   5   4  18   8  22   9  15   6  14   6   5   8  14   8   4
   2   1   1  21   6   2   1   1  15  10   5   4   1  10   5   4
   4   2   1   1   6   3   2   3   2   6   1   1   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    56    61    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    52    88    56    57    61    64    65    66    67  
   38    39    40    41    45    56    61    64  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    56    61    64  
   40    41    42    43    61  
   41    42    43    61  
   42    43    44    45    46    61  
   43    44    45  
   44    45    46    47    48    49    56    61    64  
   45    46    61  
   46    47    48    49    50    51    52    88    56    57    61    64    65    66    67  
   47    48    49    50    51    52    53    54    56    61    64  
   48    49    50    51    52    61  
   49    50    51    52    61  
   50    51    52    53    54    55    58    73    88    56    57    61  
   51    52    53    54    56  
   52    53    54    56  
   53    54    55    58    59    60    62    68    73    78    88    89    56    57    61    64    91    81  
   54    55    58    73    88    56    57    61  
   55    58    59    60    62    63    68    73    78    79    80    88    56    57    61    81    82    83    84    74    76    69  
   58    59    60    62    68    73    78    56    81  
   57    61    64    65    66    67    91    92    58    73    78    79    80    88    89  
   61    64    91    78    88    89  
   59    60    62    63    68    73    78    81    74    76    69    70    71    72  
   60    62    63    68    73    69  
   62    63    68    73    69  
   64    65    66    67    91    78    88    89  
   63    68    73    78    81    74    75    85    76    77    69    70    71    72  
   68    73    74    76    69    70    71    72  
   65    66    67    88  
   66    67  
   67  
    0  
   73    78    79    80    88    81    82    83    84    74    75    85    86    87    90    76    77    69    70    71    72  
   70    71    72    73    74    76  
   71    72  
   72  
    0  
   78    79    80    88    89    91    81    82    83    84    74    75    85    76    77  
   75    85    86    87    90    93    76    77    78    81  
   85    86    87    90    76  
   77    78    81    85  
    0  
   79    80    88    89    91    92    81    82    83    84  
   80    88    89    91    81  
   88    89    91    81  
   82    83    84    88  
   83    84  
   84  
    0  
   86    87    90    93    94    95  
   87    90    93  
   90    93  
   89    91    92  
   91    92  
   93    94    95    96    97    98  
   92  
    0  
   94    95    96    97    98  
   95    96    97    98  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.032500   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660   0.152500   1.9750   1.7500   0.005000000  -0.741685710
   47   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    61   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   317.000  1.510
   45    61   317.000  1.510
   46    47   367.000  1.332
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    73   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    69   268.000  1.529
   68    73   268.000  1.529
   68    74   317.000  1.522
   68    76   320.000  1.410
   73    78   268.000  1.529
   73    81   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    88   268.000  1.529
   88    89   340.000  1.090
   88    56   268.000  1.529
   88    91   320.000  1.410
   56    57   340.000  1.090
   56    61   268.000  1.529
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   91    92   553.000  0.945
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   74    75   570.000  1.229
   74    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    90   320.000  1.410
   90    93   214.000  1.327
   93    94   570.000  1.229
   93    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   76    77   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    61    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    61    45    70.00000  112.02700
   33    61    56    58.35000  112.70000
   33    61    64    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    70.00000  124.00000
   43    45    61    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    46    47    85.00000  110.69400
   45    46    48    35.00000  109.50000
   45    46    49    70.00000  112.02700
   45    61    56    70.00000  112.02700
   45    61    64    70.00000  112.02700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    40.00000  107.00000
   49    46    47    50.00000  109.50000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    73    58.35000  112.70000
   52    56    88    58.35000  112.70000
   52    56    57    37.50000  110.70000
   52    56    61    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    73    68    58.35000  112.70000
   54    73    78    58.35000  112.70000
   54    73    81    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    68    58.35000  112.70000
   58    62    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    68    73    58.35000  112.70000
   62    68    74    63.00000  111.10000
   62    68    76    50.00000  109.50000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   68    62    63    37.50000  110.70000
   68    73    78    58.35000  112.70000
   68    73    81    58.35000  112.70000
   68    74    75    80.00000  120.40000
   68    74    85    70.00000  116.00000
   68    76    77    55.00000  108.50000
   73    54    55    37.50000  110.70000
   73    54    58    58.35000  112.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    88    58.35000  112.70000
   73    81    82    37.50000  110.70000
   73    81    83    37.50000  110.70000
   73    81    84    37.50000  110.70000
   78    88    89    37.50000  110.70000
   78    88    56    58.35000  112.70000
   78    88    91    50.00000  109.50000
   80    78    79    33.00000  107.80000
   88    78    79    37.50000  110.70000
   88    78    80    37.50000  110.70000
   88    56    57    37.50000  110.70000
   88    56    61    58.35000  112.70000
   88    91    92    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    88    89    37.50000  110.70000
   56    61    64    58.35000  112.70000
   61    33    34    37.50000  110.70000
   61    33    38    58.35000  112.70000
   61    45    46    65.00000  117.92700
   61    56    57    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   91    88    89    35.00000  109.50000
   91    88    56    50.00000  109.50000
   81    73    78    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   74    68    73    63.00000  111.10000
   74    85    86    35.00000  109.50000
   74    85    87    35.00000  109.50000
   74    85    90    90.00000  108.74100
   85    74    75    80.00000  120.40000
   85    90    93    83.00000  116.90000
   87    85    86    33.00000  107.80000
   90    85    86    35.00000  109.50000
   90    85    87    35.00000  109.50000
   90    93    94    83.00000  123.40000
   90    93    95    81.00000  111.40000
   93    95    96    35.00000  109.50000
   93    95    97    35.00000  109.50000
   93    95    98    35.00000  109.50000
   95    93    94    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   76    68    73    50.00000  109.50000
   76    68    74    90.00000  109.61100
   69    62    63    37.50000  110.70000
   69    62    68    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    61    45   0.56750  1.0 1.0
   29    33    61    45  -0.07550 -1.0 2.0
   29    33    61    45   0.20000  1.0 3.0
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   76    68    74    85   0.55300  1.0 1.0
   76    68    74    85   1.25850 -1.0 2.0
   76    68    74    85  -0.23600  1.0 3.0
   69    62    68    73   0.56750  1.0 1.0
   69    62    68    73  -0.07550 -1.0 2.0
   69    62    68    73   0.20000  1.0 3.0
   69    62    68    74  -0.95700  1.0 1.0
   69    62    68    74  -0.18200 -1.0 2.0
   69    62    68    74   0.29450  1.0 3.0
   69    62    68    76   0.86500  1.0 1.0
   69    62    68    76  -0.17500 -1.0 2.0
   69    62    68    76   0.20800  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   46    61    45    43   1.10000 -1.0 2.0
   68    85    74    75  10.50000 -1.0 2.0
   90    95    93    94  10.50000 -1.0 2.0
END
