* LIGAND DATABASE FILE (OPLS2005)
*
001      91    96    192    329     573
    1     0 S   NP   _N1_     1    29.78043    92.39507   -25.79377
    2     1 S   H    _HN1     2     1.02782   104.74506  -122.09267
    3     1 S   H    _H1_     3     1.02952   103.76235    -8.55777
    4     1 S   H    _H2_     4     1.02841     5.95045   115.73688
    5     1 S   CT   _CA1     5     1.50107   116.67361   113.13270
    6     5 S   HC   _HA1     6     1.09551   105.34349    59.67265
    7     5 S   CO3  _C1_     7     1.53842   112.25126   -60.95665
    8     7 S   O2Z  _O11     8     1.26391   114.99109   -45.09795
    9     7 S   O2Z  _O12     9     1.26215   114.91995   134.08658
   10     5 S   CT   _CB1    10     1.53010   107.44602   177.94681
   11    10 S   HC   HB11    11     1.09820   109.80868   -47.81355
   12    10 S   HC   HB12    12     1.09657   110.02313    68.79485
   13    10 S   CT   _CG1    13     1.52984   112.76580  -168.99361
   14    13 S   HC   HG11    14     1.09584   110.65642   -59.10045
   15    13 S   HC   HG12    15     1.09627   109.93254    60.25222
   16    13 S   C    _CD1    16     1.51740   112.01336  -178.95302
   17    16 S   O    _OE1    17     1.22738   123.23428     3.80215
   18    16 S   N    _N2_    18     1.38626   111.86980  -176.83319
   19    18 S   H    _HN2    19     1.01575   119.14941     4.64334
   20    18 S   CT1  _CA2    20     1.46055   123.18358  -176.42018
   21    20 S   HC   _HA2    21     1.09582   109.04289     7.19481
   22    20 S   C    _C2_    22     1.53550   109.77986  -108.18657
   23    22 S   O    _O2_    23     1.23085   121.84687  -147.81652
   24    20 S   CT   _CB2    32     1.53555   111.72639   128.89581
   25    24 S   HC   HB21    33     1.09678   109.34223    69.59011
   26    24 S   HC   HB22    34     1.09516   110.64397  -173.73077
   27    22 S   N    _N3_    24     1.38375   113.89967    39.76923
   28    27 S   H    _HN3    25     1.01446   119.13565    -0.26393
   29    24 S   S    _SG2    35     1.83148   115.29394   -49.41129
   30    27 S   CT   _CA3    26     1.45470   123.45169   174.82998
   31    30 S   HC   HA31    27     1.09520   109.28241    24.00765
   32    30 S   HC   HA32    28     1.09495   107.11231   141.05197
   33    29 S   CT   _C22    36     1.84874   101.22288   -65.18525
   34    33 S   HC   _H8_    37     1.08945   107.08794    42.23404
   35    30 S   CO3  _C3_    29     1.52940   113.07945   -99.48020
   36    35 S   O2Z  _O31    30     1.26405   115.41231   -43.56174
   37    35 S   O2Z  _O32    31     1.26354   114.97337   137.33929
   38    33 S   CT   _C23    38     1.52256   107.94964   -79.19764
   39    38 S   HC   _H28    39     1.09244   112.05732   150.44451
   40    38 S   HC   _H29    40     1.09314   114.59428    26.24654
   41    38 S   CO4  _C24    41     1.49844   102.74717   -93.40818
   42    41 S   O    _O33    42     1.22116   125.33185   165.83012
   43    41 S   OS   _O34    43     1.36419   110.16828   -15.24969
   44    33 S   CT   _C21    44     1.54807   114.91463   167.04482
   45    44 S   CT   _C20    45     1.55708   116.72924   -34.94982
   46    45 S   HC   _H26    46     1.09750   110.59862   138.58471
   47    45 S   HC   _H27    47     1.09080   114.92267    19.94208
   48    45 S   CT   _C19    48     1.53691   107.31615  -101.95022
   49    48 S   HC   _H24    49     1.09512   111.00141   123.51894
   50    48 S   HC   _H25    50     1.09577   110.28337  -117.40397
   51    48 S   CT   _C18    51     1.52388   104.89968     3.07498
   52    51 S   HC   _H7_    52     1.09989   106.25920    83.15793
   53    51 S   CT   _C13    53     1.53664   117.68227  -157.79645
   54    53 S   HC   _H5_    54     1.09545   109.21447    60.52355
   55    53 S   CT   _C12    55     1.53683   110.95869   -58.58788
   56    55 S   HC   _H18    56     1.09693   109.47213   -59.18058
   57    55 S   HC   _H19    57     1.09611   109.62607    58.57534
   58    53 S   CT   _C14    73     1.55708   109.17519  -179.39607
   59    58 S   HC   _H6_    74     1.10091   105.84290    62.46597
   60    55 S   CT   _C11    58     1.52351   111.83149   179.66312
   61    60 S   HC   _H4_    59     1.09687   108.62986   175.87308
   62    58 S   CT   _C15    75     1.55021   111.54078   -52.08353
   63    62 S   HC   _H20    76     1.09398   110.65041   -71.42579
   64    62 S   HC   _H21    77     1.09522   110.08464   171.80614
   65    60 S   C3T  _C9_    60     1.50484   111.98297    53.71741
   66    62 S   CT   _C16    78     1.53915   113.08492    51.22268
   67    66 S   HC   _H22    79     1.09529   106.97640    67.94033
   68    66 S   HC   _H23    80     1.09625   109.04875  -176.77621
   69    60 S   OH   _O35    90     1.42578   110.13602   -67.55112
   70    69 S   HO   _H33    91     0.97224   107.58966   -56.41781
   71    65 S   C3T  _C10    61     1.52205   116.31002   158.18447
   72    71 S   HC   _H16    62     1.08279   119.32942   139.41166
   73    71 S   HC   _H17    63     1.08464   118.49857    -5.17066
   74    44 S   CT   _C17    81     1.57901   115.98708  -154.32187
   75    65 S   C3T  _C8_    64     1.50096   120.89012    89.44977
   76    75 S   HC   _H3_    65     1.07942   120.58867    -4.52515
   77    74 S   CT   _C25    82     1.55890   109.41473  -156.26500
   78    77 S   HC   _H30    83     1.09404   112.83119   -47.79064
   79    77 S   HC   _H31    84     1.09275   113.02738  -168.41115
   80    77 S   HC   _H32    85     1.09630   110.44667    72.01762
   81    75 S   CT   _C7_    66     1.49864   109.22073  -140.54071
   82    81 S   HC   _H14    67     1.09402   111.87819  -139.94480
   83    81 S   HC   _H15    68     1.09528   109.84753    99.61207
   84    81 S   CT   _C6_    69     1.53590   104.67097   -19.07370
   85    84 S   HC   _H12    70     1.09271   111.54234   155.62487
   86    84 S   HC   _H13    71     1.09798   108.82173   -87.07756
   87    65 S   CT   _C5_    72     1.54533   118.05095   -46.55071
   88    87 S   CT   _C4_    86     1.53619   110.64435   -82.18712
   89    88 S   HC   _H9_    87     1.09399   111.85181    72.10333
   90    88 S   HC   _H10    88     1.09585   111.32687   -47.37419
   91    88 S   HC   _H11    89     1.09478   111.55141  -166.78149
  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
  16   8   2   1   1   8   5   4   5   2   9  18  11   6   5  11
   5   4  19   7  19   9  14   6   5  21   8  13   6  11   6   5
  18   8   3   2   4   1  10   5   4   4   9   5   3   2   1   1
   7   5   4   7   3   2   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    74  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    48    51    66    74    77  
   38    39    40    41    43    44    45    74  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    74  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    74  
   43    44  
   44    45    46    47    48    51    66    74    77  
   45    46    47    48    49    50    51    52    53    62    66    67    68    74    77    78    79    80  
   46    47    48    49    50    51    52    53    66    74    77  
   47    48    49    50    51    74  
   48    49    50    51    74  
   49    50    51    52    53    54    55    58    66    74    77  
   50    51    52    53    74  
   51    52    53    74  
   52    53    54    55    56    57    60    87    58    59    62    66    67    68    74    77    78    79    80  
   53    54    55    58    66    74    77  
   54    55    56    57    60    61    65    84    87    58    59    62    63    64    66    74    77    88    69  
   55    56    57    60    87    58    59    62    74  
   56    57    60    61    65    71    75    87    58    59    62    74    69    70  
   57    60    61    65    58    69  
   60    61    65    58    69  
   59    62    63    64    66    67    68    74    88    89    90    91    60    65    71    75    81    84    85    86    87  
   62    63    64    66    88    65    84    87  
   61    65    71    72    73    75    76    81    84    87    88    69    70  
   65    71    75    87    69    70  
   63    64    66    67    68    74    77    88    65    84    87  
   64    66    67    68    74    87  
   66    67    68    74    87  
   71    72    73    75    76    81    82    83    84    85    86    87    88    89    90    91    69    70  
   67    68    74    77    78    79    80    87  
   68    74    77  
   74    77  
   70    71    75    87  
    0  
   72    73    75    76    81    82    83    84    87    88  
   73    75    76    81    87  
   75    76    81    87  
   77    78    79    80  
   76    81    82    83    84    85    86    87    88  
   81    82    83    84    87  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   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    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    44   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   214.000  1.327
   43    44   320.000  1.410
   44    45   268.000  1.529
   44    74   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    74   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    65   275.000  1.510
   60    69   320.000  1.410
   65    71   260.000  1.509
   65    75   260.000  1.509
   65    87   275.000  1.510
   71    72   340.000  1.088
   71    73   340.000  1.088
   71    75   260.000  1.509
   75    76   340.000  1.088
   75    81   275.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    58   268.000  1.529
   87    88   268.000  1.529
   58    59   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   69    70   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    44    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    44    43    50.00000  109.50000
   33    44    45    58.35000  112.70000
   33    44    74    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    81.00000  111.40000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    50.00000  109.50000
   43    44    74    50.00000  109.50000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    45    46    37.50000  110.70000
   44    45    47    37.50000  110.70000
   44    45    48    58.35000  112.70000
   44    74    51    58.35000  112.70000
   44    74    66    58.35000  112.70000
   44    74    77    58.35000  112.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    74    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    58.35000  112.70000
   51    53    58    58.35000  112.70000
   51    74    66    58.35000  112.70000
   51    74    77    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    60    58.35000  112.70000
   53    58    87    58.35000  112.70000
   53    58    59    37.50000  110.70000
   53    58    62    58.35000  112.70000
   55    53    54    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    65    70.00000  112.37300
   55    60    69    50.00000  109.50000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    65    71    60.00000  120.94000
   60    65    75    60.00000  120.94000
   60    65    87    58.35000  112.70000
   60    69    70    55.00000  108.50000
   65    60    61    45.00000  109.38400
   65    71    72    37.50000  117.20000
   65    71    73    37.50000  117.20000
   65    71    75    10.00000   60.00500
   65    75    71    10.00000   60.00500
   65    75    76    37.50000  117.20000
   65    75    81    60.00000  120.94000
   65    87    84    70.00000  112.37300
   65    87    58    70.00000  112.37300
   65    87    88    70.00000  112.37300
   71    75    76    37.50000  117.20000
   71    75    81    60.00000  120.94000
   73    71    72    35.00000  114.30000
   75    65    71    10.00000   60.00500
   75    71    72    37.50000  117.20000
   75    71    73    37.50000  117.20000
   75    81    82    45.00000  109.38400
   75    81    83    45.00000  109.38400
   75    81    84    70.00000  112.37300
   81    75    76    40.00000  115.04500
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    58    58.35000  112.70000
   84    87    88    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    65    71    60.00000  120.94000
   87    65    75    60.00000  120.94000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   87    58    59    37.50000  110.70000
   87    58    62    58.35000  112.70000
   87    88    89    37.50000  110.70000
   87    88    90    37.50000  110.70000
   87    88    91    37.50000  110.70000
   58    53    54    37.50000  110.70000
   58    53    55    58.35000  112.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    66    58.35000  112.70000
   62    58    59    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    74    58.35000  112.70000
   64    62    63    33.00000  107.80000
   66    62    63    37.50000  110.70000
   66    62    64    37.50000  110.70000
   66    74    77    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    44    45    58.35000  112.70000
   74    51    52    37.50000  110.70000
   74    51    53    58.35000  112.70000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   88    87    58    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   69    60    61    35.00000  109.50000
   69    60    65    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    44    43   0.56750  1.0 1.0
   29    33    44    43  -0.07550 -1.0 2.0
   29    33    44    43   0.20000  1.0 3.0
   29    33    44    45   0.44750  1.0 1.0
   29    33    44    45  -0.17800 -1.0 2.0
   29    33    44    45   0.20200  1.0 3.0
   29    33    44    74   0.44750  1.0 1.0
   29    33    44    74  -0.17800 -1.0 2.0
   29    33    44    74   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.36750  1.0 3.0
   33    44    45    46   0.15000  1.0 3.0
   33    44    45    47   0.15000  1.0 3.0
   33    44    45    48   0.56750  1.0 1.0
   33    44    45    48  -0.07550 -1.0 2.0
   33    44    45    48   0.20000  1.0 3.0
   33    44    74    51   0.56750  1.0 1.0
   33    44    74    51  -0.07550 -1.0 2.0
   33    44    74    51   0.20000  1.0 3.0
   33    44    74    66   0.56750  1.0 1.0
   33    44    74    66  -0.07550 -1.0 2.0
   33    44    74    66   0.20000  1.0 3.0
   33    44    74    77   0.56750  1.0 1.0
   33    44    74    77  -0.07550 -1.0 2.0
   33    44    74    77   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.23400  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
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   88    87    58    53  -0.07550 -1.0 2.0
   88    87    58    53   0.20000  1.0 3.0
   88    87    58    59   0.15000  1.0 3.0
   88    87    58    62   0.56750  1.0 1.0
   88    87    58    62  -0.07550 -1.0 2.0
   88    87    58    62   0.20000  1.0 3.0
   69    60    65    71   0.86500  1.0 1.0
   69    60    65    71  -0.17500 -1.0 2.0
   69    60    65    71   0.20800  1.0 3.0
   69    60    65    75   0.86500  1.0 1.0
   69    60    65    75  -0.17500 -1.0 2.0
   69    60    65    75   0.20800  1.0 3.0
   69    60    65    87   0.86500  1.0 1.0
   69    60    65    87  -0.17500 -1.0 2.0
   69    60    65    87   0.20800  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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
END
