* LIGAND DATABASE FILE (OPLS2005)
*
001      99   104    198    328     591
    1     0 S   NP   _N1_     1    28.29303    98.58069   -21.30105
    2     1 S   H    _HN1     2     1.02777   105.47282  -135.93200
    3     1 S   H    _H1_     3     1.02844    69.41540   -31.77568
    4     1 S   H    _H2_     4     1.02977    40.97643   124.50468
    5     1 S   CT   _CA1     5     1.50628   139.18470    67.36527
    6     5 S   HC   _HA1     6     1.09654   104.51083    99.98919
    7     5 S   CO3  _C1_     7     1.54472   110.84122   -15.65323
    8     7 S   O2Z  _O11     8     1.25996   116.81524  -125.99484
    9     7 S   O2Z  _O12     9     1.26615   113.73264    53.18093
   10     5 S   CT   _CB1    10     1.53126   106.90163  -143.89701
   11    10 S   HC   HB11    11     1.09841   109.98362   -40.51705
   12    10 S   HC   HB12    12     1.09781   110.04493    76.07171
   13    10 S   CT   _CG1    13     1.53067   112.62658  -161.13277
   14    13 S   HC   HG11    14     1.09330   110.90671   -58.40107
   15    13 S   HC   HG12    15     1.09658   109.84091    60.67570
   16    13 S   C    _CD1    16     1.51821   112.14909  -178.90639
   17    16 S   O    _OE1    17     1.22772   123.25372     0.51282
   18    16 S   N    _N2_    18     1.38611   111.89796  -179.40258
   19    18 S   H    _HN2    19     1.01521   119.10297     4.74532
   20    18 S   CT1  _CA2    20     1.45847   122.53871   178.07319
   21    20 S   HC   _HA2    21     1.09717   108.82204    27.56159
   22    20 S   C    _C2_    22     1.52939   106.81551   -89.69202
   23    22 S   O    _O2_    23     1.22999   122.93375   -29.00416
   24    20 S   CT   _CB2    32     1.53175   112.57643   150.81564
   25    24 S   HC   HB21    33     1.09529   110.00533    56.48689
   26    24 S   HC   HB22    34     1.09470   109.94625   175.01123
   27    22 S   N    _N3_    24     1.38463   112.65616   153.85926
   28    27 S   H    _HN3    25     1.01661   120.40460    -2.26131
   29    24 S   S    _SG2    35     1.82767   111.53985   -64.29330
   30    27 S   CT   _CA3    26     1.45366   122.42521   178.60170
   31    30 S   HC   HA31    27     1.09570   107.73005   -57.04312
   32    30 S   HC   HA32    28     1.09564   107.67410    59.27123
   33    29 S   CT   _C26    36     1.88099    99.68015   179.55150
   34    33 S   HC   _H8_    37     1.09650   106.04875   -22.44661
   35    30 S   CO3  _C3_    29     1.52882   114.36397  -178.96675
   36    35 S   O2Z  _O31    30     1.26327   116.06103    -2.07386
   37    35 S   O2Z  _O32    31     1.26437   114.40923   177.92812
   38    33 S   CM   _C25    38     1.51600   104.17333    87.89346
   39    38 S   HC   _H22    39     1.09387   113.12274   -55.93364
   40    33 S   CT   _C9_    83     1.60696   114.18189  -138.84285
   41    38 S   CMA  _C24    40     1.35153   131.50557   125.55420
   42    41 S   OM   _O39    41     1.26641   123.91120   178.07990
   43    40 S   CT   _C29    84     1.55109   107.45542   169.16544
   44    43 S   HC   _H29    85     1.09272   112.17407   140.30791
   45    43 S   HC   _H30    86     1.09445   112.82744    20.50719
   46    43 S   HC   _H31    87     1.09118   112.50997   -97.69286
   47    41 S   OS   _O38    42     1.38944   115.18164     2.83144
   48    47 S   CT   _C23    43     1.43678   119.56635   -70.45307
   49    48 S   CT   _C10    44     1.58151   111.70753    84.65586
   50    49 S   HC   _H5_    45     1.09964   105.52077  -116.53844
   51    48 S   CT   _C27    92     1.54596   101.79753  -153.46962
   52    51 S   HC   _H23    93     1.09770   110.40569    55.89460
   53    51 S   HC   _H24    94     1.09574   111.21428   -60.89904
   54    51 S   HC   _H25    95     1.09420   112.88023   175.95620
   55    48 S   CT   _C28    96     1.54619   113.04928   -40.36440
   56    55 S   HC   _H26    97     1.09602   111.19930   -51.32924
   57    55 S   HC   _H27    98     1.09564   111.09489  -171.97615
   58    55 S   HC   _H28    99     1.09514   111.85872    67.92751
   59    49 S   CT   _C11    46     1.54722   112.09082   132.91622
   60    59 S   HC   _H14    47     1.09752   109.04585    59.31918
   61    59 S   HC   _H15    48     1.09259   112.35967   -59.03172
   62    59 S   CO4  _C12    49     1.51652   113.92167   178.50302
   63    62 S   O    _O33    50     1.23052   120.62301  -127.09442
   64    62 S   CT   _C13    51     1.52994   116.35273    55.13046
   65    64 S   CT   _C8_    52     1.57215   103.27206   -57.47826
   66    65 S   HC   _H4_    53     1.09108   104.16984   -51.22597
   67    64 S   CT   _C22    88     1.54962   106.65628    65.35943
   68    67 S   HC   _H19    89     1.09296   112.61314  -177.04647
   69    67 S   HC   _H20    90     1.09727   110.72356    63.36769
   70    67 S   HC   _H21    91     1.08764   114.24199   -54.04911
   71    65 S   CT   _C7_    54     1.53994   110.52291  -161.44844
   72    71 S   HC   _H3_    55     1.09023   112.00997  -174.69068
   73    71 S   CT   _C6_    56     1.54306   111.09922    65.17404
   74    73 S   HC   _H12    57     1.09763   108.36989    94.03639
   75    73 S   HC   _H13    58     1.09678   107.23406  -151.85779
   76    71 S   OH   _O40    81     1.42288   111.19469   -56.49668
   77    76 S   HO   _H32    82     0.97236   107.92368  -175.07017
   78    73 S   CT   _C5_    59     1.56195   116.53848   -28.53310
   79    78 S   CT   _C17    60     1.57808   109.01874  -144.55826
   80    79 S   HC   _H7_    61     1.09941   109.85050    57.73919
   81    78 S   CT   _C4_    77     1.55312   112.09129    95.77452
   82    81 S   HC   _H9_    78     1.09582   111.38184   171.15589
   83    81 S   HC   _H10    79     1.09313   111.39393    50.91549
   84    81 S   HC   _H11    80     1.08996   114.04582   -69.69665
   85    79 S   C5BC _C18    62     1.50825   114.50832   -61.47897
   86    79 S   OS   _O36    70     1.45433   111.22259   174.24589
   87    85 S   C5BC _C19    63     1.42544   127.41272    90.82433
   88    87 S   HA   _H16    64     1.08079   127.46878    -0.38512
   89    86 S   CO4  _C16    71     1.36343   121.69295   -47.95525
   90    89 S   O    _O35    72     1.22456   122.31899  -168.83075
   91    87 S   C5A  _C20    65     1.37449   106.71323   179.89165
   92    91 S   HA   _H17    66     1.08022   133.82298   179.62780
   93    89 S   C3T  _C15    73     1.47662   117.28056    13.17889
   94    93 S   HC   _H6_    74     1.08353   115.01240   165.50670
   95    91 S   OA   _O37    67     1.35600   110.46863    -0.77228
   96    64 S   C3T  _C14    75     1.56741   111.86572  -175.20041
   97    85 S   C5A  _C21    68     1.38235   127.69131   -90.84554
   98    97 S   HA   _H18    69     1.08096   133.31662     0.45413
   99    93 S   O3T  _O34    76     1.42860   114.47593   -54.66826
  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   9   5   4   3
  19   7   2   1   1   9   4  24   6   2  11   4   3   2  12  15
  18   7   8   3   2   1   4   2   1   1   8   4   3  13   4  18
  16   6   8   3   2   1  10   6  16   6   5   2   1  15  18   7
   8   3   2   1  10   8   6   4   5   4   4   2   3   2   2   1
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    49    65    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    47    48    49    50    59    64    65    66    71    40    43    44    45    46  
   38    39    41    49    65    40    43  
   36    37  
   37  
    0  
   39    41    42    47    48    49    65    40    43  
   41    42    47    40  
   43    44    45    46    67    51    55    41    47    48    49    50    59    60    61    62    64    65    66    71    72    73    76    96  
   42    47    48    49    51    55  
   47    48  
   44    45    46    48    49    50    59    64    65    66    71  
   45    46    49    65  
   46    49    65  
   49    65  
   48    49    50    59    51    52    53    54    55    56    57    58  
   49    50    59    60    61    62    65    51    52    53    54    55    56    57    58  
   50    59    60    61    62    63    64    65    66    71    51    52    53    54    55    56    57    58  
   59    60    61    62    65    51    55  
   52    53    54    55    56    57    58    59  
   53    54    55  
   54    55  
   55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    64    65    96    67  
   61    62    63    64  
   62    63    64  
   63    64    65    66    71    78    93    96    99    67    68    69    70  
   64    65    96    67  
   65    66    71    72    73    78    79    89    93    94    96    99    81    76    67    68    69    70  
   66    71    72    73    74    75    78    93    96    99    76    77    67    68    69    70  
   71    72    73    96    76    67  
   68    69    70    71    78    93    96    99  
   69    70    96  
   70    96  
   96  
   72    73    74    75    78    79    96    81    76    77  
   73    74    75    78    76    77  
   74    75    78    79    80    85    86    93    96    99    81    82    83    84    76    77  
   75    78    79    96    81    76  
   78    79    96    81    76  
   77    78  
    0  
   79    80    85    87    97    86    89    93    94    96    99    81    82    83    84  
   80    85    87    88    91    95    97    98    86    89    90    93    96    99    81    82    83    84  
   85    87    97    86    89    96    81  
   82    83    84    85    86    93    96    99  
   83    84    96  
   84    96  
   96  
   87    88    91    92    95    97    98    86    89    96  
   89    90    93    94    96    99    87    97  
   88    91    92    95    97    98  
   91    92    95    97  
   90    93    94    96    99  
   93    94    96    99  
   92    95    97    98  
   95    97  
   94    96    99  
   96    99  
   97    98  
   99  
   98  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   96   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   97   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   99   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    47   440.000  1.360
   47    48   320.000  1.410
   48    49   268.000  1.529
   48    51   268.000  1.529
   48    55   268.000  1.529
   49    50   340.000  1.090
   49    59   268.000  1.529
   49    40   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.522
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   268.000  1.529
   64    96   275.000  1.510
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    40   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   268.000  1.529
   78    79   268.000  1.529
   78    96   275.000  1.510
   78    81   268.000  1.529
   79    80   340.000  1.090
   79    85   285.000  1.502
   79    86   320.000  1.410
   85    87   469.000  1.424
   85    97   546.000  1.367
   87    88   367.000  1.080
   87    91   546.000  1.367
   91    92   367.000  1.080
   91    95   340.000  1.360
   95    97   340.000  1.360
   97    98   367.000  1.080
   86    89   214.000  1.327
   89    90   570.000  1.229
   89    93   290.000  1.496
   93    94   340.000  1.088
   93    96   260.000  1.509
   93    99   335.000  1.432
   96    99   335.000  1.432
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   76    77   553.000  0.945
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    49    58.35000  112.70000
   33    40    65    58.35000  112.70000
   33    40    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    47    80.00000  120.01400
   41    38    39    40.00000  120.50800
   41    47    48    90.00000  111.18400
   47    41    42    65.00000  121.00000
   47    48    49    50.00000  109.50000
   47    48    51    50.00000  109.50000
   47    48    55    50.00000  109.50000
   48    49    50    37.50000  110.70000
   48    49    59    58.35000  112.70000
   48    49    40    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    62    63.00000  111.10000
   49    40    65    58.35000  112.70000
   49    40    43    58.35000  112.70000
   59    49    50    37.50000  110.70000
   59    62    63    80.00000  120.40000
   59    62    64    70.00000  116.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    63.00000  111.10000
   62    64    96    63.00000  111.10000
   62    64    67    63.00000  111.10000
   64    62    63    80.00000  120.40000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    40    58.35000  112.70000
   64    96    78    58.35000  112.70000
   64    96    93    60.00000  120.94000
   64    96    99    80.00000  116.47100
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    58.35000  112.70000
   65    71    76    50.00000  109.50000
   65    40    43    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    78    58.35000  112.70000
   71    76    77    55.00000  108.50000
   73    71    72    37.50000  110.70000
   73    78    79    58.35000  112.70000
   73    78    96    70.00000  112.37300
   73    78    81    58.35000  112.70000
   75    73    74    33.00000  107.80000
   78    73    74    37.50000  110.70000
   78    73    75    37.50000  110.70000
   78    79    80    37.50000  110.70000
   78    79    85    70.00000  112.17500
   78    79    86    50.00000  109.50000
   78    96    93    60.00000  120.94000
   78    96    99    80.00000  116.47100
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   79    85    87    60.00000  130.00000
   79    85    97    60.00000  130.00000
   79    86    89    83.00000  116.90000
   85    79    80    35.00000  109.50000
   85    87    88    35.00000  127.50000
   85    87    91    70.00000  107.30000
   85    97    95    70.00000  110.60000
   85    97    98    35.00000  132.10000
   87    91    92    35.00000  132.10000
   87    91    95    70.00000  110.60000
   91    87    88    35.00000  125.70000
   91    95    97    70.00000  106.50000
   95    91    92    35.00000  113.40000
   95    97    98    35.00000  113.40000
   97    85    87    70.00000  107.30000
   86    79    80    35.00000  109.50000
   86    79    85    85.00000  111.85700
   86    89    90    83.00000  123.40000
   86    89    93    81.00000  111.40000
   89    93    94    40.00000  116.18000
   89    93    96    65.00000  117.18000
   89    93    99    80.00000  114.91000
   93    89    90    75.00000  121.36600
   93    96    99    15.00000   60.43100
   93    99    96    15.00000   59.14900
   96    64    65    70.00000  112.37300
   96    78    79    70.00000  112.37300
   96    93    94    37.50000  117.20000
   99    93    94    50.00000  114.27700
   99    93    96    15.00000   60.43100
   81    78    79    58.35000  112.70000
   81    78    96    70.00000  112.37300
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    49    50    37.50000  110.70000
   40    49    59    58.35000  112.70000
   40    65    66    37.50000  110.70000
   40    65    71    58.35000  112.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   67    64    65    58.35000  112.70000
   67    64    96    70.00000  112.37300
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    48    49    58.35000  112.70000
   55    48    51    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
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   40    49   -59    62  -0.95700  1.0 1.0
   40    49   -59    62  -0.18200 -1.0 2.0
   40    49   -59    62   0.29450  1.0 3.0
   40    65    71    72   0.15000  1.0 3.0
   40    65    71    73   0.56750  1.0 1.0
   40    65    71    73  -0.07550 -1.0 2.0
   40    65    71    73   0.20000  1.0 3.0
   40    65    71    76   0.86500  1.0 1.0
   40    65    71    76  -0.17500 -1.0 2.0
   40    65    71    76   0.20800  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.56750  1.0 1.0
   67    64    65    71  -0.07550 -1.0 2.0
   67    64    65    71   0.20000  1.0 3.0
   67    64    65    40   0.56750  1.0 1.0
   67    64    65    40  -0.07550 -1.0 2.0
   67    64    65    40   0.20000  1.0 3.0
   67    64    96    78   0.56750  1.0 1.0
   67    64    96    78  -0.07550 -1.0 2.0
   67    64    96    78   0.20000  1.0 3.0
   67    64    96    93   0.07850  1.0 1.0
   67    64    96    93  -0.03950 -1.0 2.0
   67    64    96    93   0.67350  1.0 3.0
   67    64    96    99   0.02550  1.0 1.0
   67    64    96    99  -0.02600 -1.0 2.0
   67    64    96    99   1.20400  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    59   0.56750  1.0 1.0
   51    48    49    59  -0.07550 -1.0 2.0
   51    48    49    59   0.20000  1.0 3.0
   51    48    49    40   0.56750  1.0 1.0
   51    48    49    40  -0.07550 -1.0 2.0
   51    48    49    40   0.20000  1.0 3.0
   51    48    55    56   0.15000  1.0 3.0
   51    48    55    57   0.15000  1.0 3.0
   51    48    55    58   0.15000  1.0 3.0
   55    48    49    50   0.15000  1.0 3.0
   55    48    49    59   0.56750  1.0 1.0
   55    48    49    59  -0.07550 -1.0 2.0
   55    48    49    59   0.20000  1.0 3.0
   55    48    49    40   0.56750  1.0 1.0
   55    48    49    40  -0.07550 -1.0 2.0
   55    48    49    40   0.20000  1.0 3.0
   55    48    51    52   0.15000  1.0 3.0
   55    48    51    53   0.15000  1.0 3.0
   55    48    51    54   0.15000  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
   33    39    38    41   1.10000 -1.0 2.0
   42    47    41    38   1.10000 -1.0 2.0
   59    64    62    63  10.50000 -1.0 2.0
   87    97    85    79   4.00000 -1.0 2.0
   91    88    87    85   1.10000 -1.0 2.0
   95    92    91    87   1.10000 -1.0 2.0
   95    98    97    85   1.10000 -1.0 2.0
   86    93    89    90  10.50000 -1.0 2.0
END
