* LIGAND DATABASE FILE (OPLS2005)
*
001      96   100    193    319     582
    1     0 S   NP   _N1_     1    28.81276    93.68755   -20.28063
    2     1 S   H    _HN1     2     1.02782    84.48453   -68.31557
    3     1 S   H    _H1_     3     1.02962   100.96725    39.29863
    4     1 S   H    _H2_     4     1.02842    28.11252   145.07215
    5     1 S   CT   _CA1     5     1.50095   136.22505   175.05240
    6     5 S   HC   _HA1     6     1.09571   105.29986    44.65474
    7     5 S   CO3  _C1_     7     1.53854   112.26002   -75.69606
    8     7 S   O2Z  _O11     8     1.26363   115.03465   -46.90949
    9     7 S   O2Z  _O12     9     1.26238   114.90741   132.30968
   10     5 S   CT   _CB1    10     1.53093   107.44625   162.61982
   11    10 S   HC   HB11    11     1.09820   109.53926   -50.34893
   12    10 S   HC   HB12    12     1.09833   110.33416    66.24138
   13    10 S   CT   _CG1    13     1.53003   112.59262  -171.46254
   14    13 S   HC   HG11    14     1.09584   110.31061   -58.66871
   15    13 S   HC   HG12    15     1.09618   110.20370    60.51267
   16    13 S   C    _CD1    16     1.51775   112.09082  -179.14202
   17    16 S   O    _OE1    17     1.22726   123.18961   -12.18458
   18    16 S   N    _N2_    18     1.38571   111.66212   168.08920
   19    18 S   H    _HN2    19     1.01588   119.02079     2.17718
   20    18 S   CT1  _CA2    20     1.46190   123.45220  -175.78941
   21    20 S   HC   _HA2    21     1.09735   109.31258   -16.90235
   22    20 S   C    _C2_    22     1.53408   108.27744  -132.67196
   23    22 S   O    _O2_    23     1.23006   122.30515  -145.83073
   24    20 S   CT   _CB2    32     1.53753   111.35716   105.18810
   25    24 S   HC   HB21    33     1.09262   109.36855    55.63578
   26    24 S   HC   HB22    34     1.09459   109.58180   174.34064
   27    22 S   N    _N3_    24     1.38529   113.29672    41.55716
   28    27 S   H    _HN3    25     1.01535   118.89043    -0.55883
   29    24 S   S    _SG2    35     1.82850   111.45611   -66.80792
   30    27 S   CT   _CA3    26     1.45449   123.45591   175.13216
   31    30 S   HC   HA31    27     1.09524   109.23802    24.18435
   32    30 S   HC   HA32    28     1.09498   107.11417   141.18800
   33    29 S   CT   _C14    36     1.92789   103.71268   158.96902
   34    30 S   CO3  _C3_    29     1.52932   113.13640   -99.29890
   35    34 S   O2Z  _O31    30     1.26404   115.42053   -44.01153
   36    34 S   O2Z  _O32    31     1.26359   114.97547   136.93906
   37    33 S   CT   _C13    37     1.61240   101.73253   166.59241
   38    37 S   HC   _H4_    38     1.09710   108.51220   -39.56459
   39    33 S   CT   _C15    89     1.58972   104.27881    54.30181
   40    39 S   HC   _H5_    90     1.09631   108.18846    35.51220
   41    37 S   CT   _C12    39     1.54924   109.84419    77.76837
   42    41 S   HC   _H3_    40     1.09702   109.49075   -49.00301
   43    37 S   CT   _C18    67     1.55568   111.71880  -155.88813
   44    43 S   HC   _H6_    68     1.09557   107.68132   -61.48524
   45    39 S   OH   _O36    91     1.42536   113.46205   -79.76545
   46    45 S   HO   _H30    92     0.97262   107.98669   172.69311
   47    41 S   CT   _C11    41     1.52832   111.03292    68.82604
   48    47 S   HC   _H15    42     1.09846   108.48471  -157.09512
   49    47 S   HC   _H16    43     1.09819   110.06999    87.31997
   50    41 S   CO4  _C26    60     1.52485   114.29403  -163.57559
   51    50 S   O    _O37    61     1.22417   124.84542  -126.58161
   52    43 S   CT   _C19    69     1.52978   118.62798   178.80221
   53    52 S   HC   _H19    70     1.09401   111.96126    79.60929
   54    52 S   HC   _H20    71     1.09539   111.63549   -41.52024
   55    47 S   CM   _C10    44     1.51522   113.85182   -35.90872
   56    50 S   OS   _O38    62     1.36557   109.88071    55.71042
   57    52 S   CT   _C20    72     1.53774   105.16518  -160.56047
   58    57 S   HC   _H21    73     1.09659   110.06774   128.42455
   59    57 S   HC   _H22    74     1.09560   110.07298  -114.82397
   60    55 S   CM   _C9_    45     1.34605   117.12087   159.93223
   61    60 S   HC   _H14    46     1.08527   121.88524    -3.48987
   62    56 S   CT   _C27    63     1.43034   115.34997   179.27638
   63    62 S   HC   _H31    64     1.09325   108.09467   178.91863
   64    62 S   HC   _H32    65     1.09427   110.30910    60.24978
   65    62 S   HC   _H33    66     1.09414   110.25832   -62.38777
   66    57 S   CT   _C21    75     1.54755   106.68855     7.25866
   67    60 S   CO4  _C8_    47     1.47861   121.77004   171.18684
   68    67 S   O    _O33    48     1.22858   120.04194   175.53836
   69    66 S   CT   _C22    76     1.52708   111.50963  -105.71133
   70    69 S   HC   _H23    77     1.09278   115.19684    86.85547
   71    69 S   HC   _H24    78     1.09803   110.44862   -33.96665
   72    43 S   CT   _C17    85     1.54003   114.15918    57.23324
   73    67 S   CT   _C7_    49     1.50250   117.60067    -8.50127
   74    73 S   HC   _H12    50     1.09591   108.46194   157.02236
   75    73 S   HC   _H13    51     1.09369   109.28566   -85.54609
   76    69 S   CT   _C23    79     1.51181   103.76796  -148.97432
   77    76 S   HC   _H25    80     1.09211   112.55307   -89.76368
   78    76 S   HC   _H26    81     1.09279   111.27138   145.93694
   79    72 S   CT   _C16    86     1.52941   107.01092   -61.04409
   80    79 S   HC   _H17    87     1.09312   111.15020   -64.01555
   81    79 S   HC   _H18    88     1.09788   110.11248  -179.92598
   82    72 S   CT   _C25    93     1.55666   113.74118    59.70230
   83    82 S   HC   _H27    94     1.09466   112.55706    65.11606
   84    82 S   HC   _H28    95     1.09233   113.28675   -55.53156
   85    82 S   HC   _H29    96     1.09640   110.43388  -175.38416
   86    73 S   CT   _C6_    52     1.52278   109.41880    38.15118
   87    86 S   HC   _H10    53     1.09249   105.37056    64.79904
   88    86 S   HC   _H11    54     1.09552   107.77944   179.71333
   89    76 S   CO4  _C24    82     1.49638   102.29882    27.58092
   90    89 S   O    _O34    83     1.22113   125.34780   166.09613
   91    33 S   CT   _C5_    55     1.66291   111.51641   -75.53341
   92    66 S   OS   _O35    84     1.43567   109.89129   140.31268
   93    91 S   CT   _C4_    56     1.56113   114.24745    -8.92370
   94    93 S   HC   _H7_    57     1.09270   111.89905    71.78103
   95    93 S   HC   _H8_    58     1.09399   113.06473   -51.06739
   96    93 S   HC   _H9_    59     1.09746   111.86676  -169.80408
  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
  28   2   1   1  26  10  15   7  15   8  21   8   6   1  12   5
   4   7   2  11   6   5  13   4  12   5   4   9   4   3   2   1
   1  17   8   4  11   7   6  10   7   5   4   5   4   3   8   2
   1   4   2   1   1   7   3   2   2   1   4   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    91    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    55    86    91    93    43    79    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    55    60    73    86    87    88    91    93    94    95    96    50    43    44    52    72    79    80    81    39    40    45    46  
   35    36  
   36  
    0  
   38    41    42    47    48    49    55    86    91    93    50    51    56    43    44    52    53    54    57    66    72    79    39    40    45    82  
   41    42    47    91    50    43    44    52    72    39  
   40    45    46    82    41    43    55    66    72    79    80    81    86    91    93  
   45    46    72    79    80    81    91  
   42    47    48    49    55    60    91    50    51    56    62    43    44    52    72  
   47    48    49    55    50    51    56    43  
   44    52    53    54    57    58    59    66    69    92    72    79    80    81    82    83    84    85    47    50    91  
   52    53    54    57    66    72    79    82  
   46    72    79    80    81    91  
   79  
   48    49    55    60    61    67    86    91    93    50    51    56  
   49    55    60    91    50  
   55    60    91    50  
   51    56    62    63    64    65    55  
   56    62  
   53    54    57    58    59    66    69    92    72    79    82  
   54    57    58    59    66    72  
   57    58    59    66    72  
   60    61    67    68    73    86    87    88    91    93    94    95    96  
   62    63    64    65  
   58    59    66    69    70    71    76    89    92    72    79    82  
   59    66    69    92    72  
   66    69    92    72  
   61    67    68    73    74    75    86    91    93  
   67    68    73    91  
   63    64    65  
   64    65  
   65  
    0  
   69    70    71    76    77    78    89    90    92    72    79    80    81    82    83    84    85  
   68    73    74    75    86    87    88    91  
   73    74    75    86  
   70    71    76    77    78    89    90    92    72    79    82  
   71    76    77    78    89    92    72  
   76    77    78    89    92    72  
   79    80    81    82    83    84    85    76    89    92  
   74    75    86    87    88    91    93  
   75    86    87    88    91  
   86    87    88    91  
   77    78    89    90    92  
   78    89    90    92  
   89    90    92  
   80    81    82    83    84    85    91    92  
   81    82  
   82  
   83    84    85    92  
   84    85  
   85  
    0  
   87    88    91    93    94    95    96  
   88    91    93  
   91    93  
   90    92  
   92  
   93    94    95    96  
    0  
   94    95    96  
   95    96  
   96  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   92   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   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    91   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    43   268.000  1.529
   41    42   340.000  1.090
   41    47   268.000  1.529
   41    50   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    55   317.000  1.510
   55    60   549.000  1.340
   55    91   317.000  1.510
   60    61   340.000  1.080
   60    67   320.000  1.462
   67    68   570.000  1.229
   67    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    91   268.000  1.529
   91    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   50    51   570.000  1.229
   50    56   214.000  1.327
   56    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   43    44   340.000  1.090
   43    52   268.000  1.529
   43    72   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    66   268.000  1.529
   66    69   268.000  1.529
   66    92   320.000  1.410
   66    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    89   317.000  1.522
   89    90   570.000  1.229
   89    92   214.000  1.327
   72    79   268.000  1.529
   72    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    39   268.000  1.529
   39    40   340.000  1.090
   39    45   320.000  1.410
   45    46   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   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    91    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    43    58.35000  112.70000
   33    91    55    70.00000  112.02700
   33    91    86    58.35000  112.70000
   33    91    93    58.35000  112.70000
   33    39    79    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    45    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    47    58.35000  112.70000
   37    41    50    63.00000  111.10000
   37    43    44    37.50000  110.70000
   37    43    52    58.35000  112.70000
   37    43    72    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    55    70.00000  112.02700
   41    50    51    80.00000  120.40000
   41    50    56    81.00000  111.40000
   47    41    42    37.50000  110.70000
   47    55    60    70.00000  124.00000
   47    55    91    65.00000  117.92700
   49    47    48    33.00000  107.80000
   55    47    48    35.00000  109.50000
   55    47    49    35.00000  109.50000
   55    60    61    35.00000  120.00000
   55    60    67    65.00000  118.96000
   55    91    86    70.00000  112.02700
   55    91    93    70.00000  112.02700
   60    67    68    80.00000  123.72100
   60    67    73    65.00000  118.62400
   67    60    61    40.00000  117.72500
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    86    63.00000  111.10000
   73    67    68    80.00000  120.40000
   73    86    87    37.50000  110.70000
   73    86    88    37.50000  110.70000
   73    86    91    58.35000  112.70000
   75    73    74    33.00000  107.80000
   86    73    74    37.50000  110.70000
   86    73    75    37.50000  110.70000
   86    91    93    58.35000  112.70000
   88    86    87    33.00000  107.80000
   91    33    37    58.35000  112.70000
   91    55    60    70.00000  124.00000
   91    86    87    37.50000  110.70000
   91    86    88    37.50000  110.70000
   91    93    94    37.50000  110.70000
   91    93    95    37.50000  110.70000
   91    93    96    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   50    41    42    35.00000  109.50000
   50    41    47    63.00000  111.10000
   50    56    62    83.00000  116.90000
   56    50    51    83.00000  123.40000
   56    62    63    35.00000  109.50000
   56    62    64    35.00000  109.50000
   56    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    41    58.35000  112.70000
   43    52    53    37.50000  110.70000
   43    52    54    37.50000  110.70000
   43    52    57    58.35000  112.70000
   43    72    66    58.35000  112.70000
   43    72    79    58.35000  112.70000
   43    72    82    58.35000  112.70000
   52    43    44    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    66    69    58.35000  112.70000
   57    66    92    50.00000  109.50000
   57    66    72    58.35000  112.70000
   59    57    58    33.00000  107.80000
   66    57    58    37.50000  110.70000
   66    57    59    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    76    58.35000  112.70000
   66    92    89    83.00000  116.90000
   66    72    79    58.35000  112.70000
   66    72    82    58.35000  112.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    89    63.00000  111.10000
   71    69    70    33.00000  107.80000
   76    69    70    37.50000  110.70000
   76    69    71    37.50000  110.70000
   76    89    90    80.00000  120.40000
   76    89    92    81.00000  111.40000
   78    76    77    33.00000  107.80000
   89    76    77    35.00000  109.50000
   89    76    78    35.00000  109.50000
   92    66    69    50.00000  109.50000
   92    89    90    83.00000  123.40000
   72    43    44    37.50000  110.70000
   72    43    52    58.35000  112.70000
   72    66    69    58.35000  112.70000
   72    66    92    50.00000  109.50000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    39    58.35000  112.70000
   72    82    83    37.50000  110.70000
   72    82    84    37.50000  110.70000
   72    82    85    37.50000  110.70000
   79    39    40    37.50000  110.70000
   79    39    45    50.00000  109.50000
   81    79    80    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    91    58.35000  112.70000
   39    79    80    37.50000  110.70000
   39    79    81    37.50000  110.70000
   39    45    46    55.00000  108.50000
   45    39    40    35.00000  109.50000
   82    72    79    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    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    91   0.01700  1.0 1.0
   24    29    33    91  -0.23550 -1.0 2.0
   24    29    33    91   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    91    55   0.56750  1.0 1.0
   29    33    91    55  -0.07550 -1.0 2.0
   29    33    91    55   0.20000  1.0 3.0
   29    33    91    86   0.44750  1.0 1.0
   29    33    91    86  -0.17800 -1.0 2.0
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   39    33    91    86   0.56750  1.0 1.0
   39    33    91    86  -0.07550 -1.0 2.0
   39    33    91    86   0.20000  1.0 3.0
   39    33    91    93   0.56750  1.0 1.0
   39    33    91    93  -0.07550 -1.0 2.0
   39    33    91    93   0.20000  1.0 3.0
   40    39    45    46   0.19450  1.0 3.0
   82    72    79    80   0.15000  1.0 3.0
   82    72    79    81   0.15000  1.0 3.0
   82    72    79    39   0.56750  1.0 1.0
   82    72    79    39  -0.07550 -1.0 2.0
   82    72    79    39   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
   47    91    55    60   1.10000 -1.0 2.0
   67    61    60    55   1.10000 -1.0 2.0
   60    73    67    68  10.50000 -1.0 2.0
   41    56    50    51  10.50000 -1.0 2.0
   76    92    89    90  10.50000 -1.0 2.0
END
