* LIGAND DATABASE FILE (OPLS2005)
*
001      99   102    198    330     607
    1     0 S   NP   _N1_     1    29.15426    94.03009   -16.68646
    2     1 S   H    _HN1     2     1.02841    63.08957   -47.86340
    3     1 S   H    _H1_     3     1.02736   123.94316    45.73309
    4     1 S   H    _H2_     4     1.03006    44.38539   124.01873
    5     1 S   CT   _CA1     5     1.50294   122.37832  -149.03539
    6     5 S   HC   _HA1     6     1.09675   104.41301    15.56791
    7     5 S   CO3  _C1_     7     1.54662   111.64837  -100.28000
    8     7 S   O2Z  _O11     8     1.26183   116.79056  -127.29491
    9     7 S   O2Z  _O12     9     1.26569   113.84668    52.31615
   10     5 S   CT   _CB1    10     1.53235   107.66962   132.05108
   11    10 S   HC   HB11    11     1.09810   110.56924   -36.90348
   12    10 S   HC   HB12    12     1.09681   110.27553    79.92472
   13    10 S   CT   _CG1    13     1.53000   111.76057  -157.25714
   14    13 S   HC   HG11    14     1.09529   111.67860   -47.34911
   15    13 S   HC   HG12    15     1.09639   110.27509    70.86176
   16    13 S   C    _CD1    16     1.51401   110.89846  -169.30635
   17    16 S   O    _OE1    17     1.22835   121.73550   -88.55757
   18    16 S   N    _N2_    18     1.38393   112.88312    90.78415
   19    18 S   H    _HN2    19     1.01605   118.98206     3.09592
   20    18 S   CT1  _CA2    20     1.45992   122.87736   175.23428
   21    20 S   HC   _HA2    21     1.09717   108.96094    26.12993
   22    20 S   C    _C2_    22     1.52927   106.66308   -90.95419
   23    22 S   O    _O2_    23     1.22994   122.95830   -30.32103
   24    20 S   CT   _CB2    32     1.53251   112.13357   149.77636
   25    24 S   HC   HB21    33     1.09303   109.53197    52.79634
   26    24 S   HC   HB22    34     1.09533   110.31417   171.07478
   27    22 S   N    _N3_    24     1.38485   112.66408   152.33793
   28    27 S   H    _HN3    25     1.01654   120.40021    -1.37345
   29    24 S   S    _SG2    35     1.82895   110.35756   -69.94269
   30    27 S   CT   _CA3    26     1.45357   122.38731   178.79407
   31    30 S   HC   HA31    27     1.09566   107.57096   -61.11892
   32    30 S   HC   HA32    28     1.09570   107.82203    55.17811
   33    29 S   CT   _C20    36     1.91445   102.79469   153.57861
   34    30 S   CO3  _C3_    29     1.52875   114.42589   177.12519
   35    34 S   O2Z  _O31    30     1.26323   116.10488    -0.63735
   36    34 S   O2Z  _O32    31     1.26453   114.39004   179.40917
   37    33 S   CM   _C25    37     1.51311   104.90316    50.99757
   38    37 S   HC   _H29    38     1.08969   116.73845   -88.84586
   39    33 S   CT   _C19    85     1.54662   106.99458   -69.86877
   40    39 S   HC   _H23    86     1.09877   109.80747   171.58198
   41    39 S   HC   _H24    87     1.09664   112.14116    57.83209
   42    37 S   CMA  _C24    39     1.35083   124.95688    89.63725
   43    42 S   OM   _O35    40     1.26210   129.25019  -178.78727
   44    42 S   CT   _C23    41     1.53094   119.57877     2.01674
   45    44 S   HC   _H27    42     1.10113   108.53513   121.57357
   46    44 S   HC   _H28    43     1.09992   110.08318  -122.83898
   47    44 S   CT   _C22    44     1.54402   117.23344     0.35277
   48    47 S   HC   _H25    45     1.09695   107.70858   150.90010
   49    47 S   HC   _H26    46     1.09642   109.00253   -95.66686
   50    33 S   CT   _C21    47     1.59283   112.04932   170.11821
   51    50 S   CT   _C16    48     1.56874   108.24971    60.97971
   52    51 S   HC   _H7_    49     1.08992   104.83453   -58.60315
   53    50 S   CT   _C26    96     1.56121   112.71475  -178.02503
   54    53 S   HC   _H30    97     1.09160   113.41065   -58.74703
   55    53 S   HC   _H31    98     1.09581   110.65427  -179.32189
   56    53 S   HC   _H32    99     1.09366   112.93140    61.44706
   57    51 S   CT   _C15    50     1.53928   118.17307  -173.74116
   58    57 S   HC   _H21    51     1.09686   109.48415   -75.29163
   59    57 S   HC   _H22    52     1.09397   110.96214    42.63407
   60    57 S   CT   _C14    53     1.55711   110.78629   164.22735
   61    60 S   HC   _H6_    54     1.09622   107.74601   154.32713
   62    60 S   CT   _C13    55     1.56781   114.34040    31.77742
   63    60 S   OH   _O37    94     1.42809   107.44017   -91.30995
   64    63 S   HO   _H34    95     0.97227   107.74257   -61.12893
   65    62 S   CT   _C12    56     1.55345   107.20079    28.28626
   66    65 S   HC   _H5_    57     1.10519   105.81722    55.00518
   67    62 S   CT   _C27    90     1.55120   113.14579   -96.76968
   68    67 S   HC   _H35    91     1.09445   111.72831   -56.61427
   69    67 S   HC   _H36    92     1.09258   111.84561  -175.63363
   70    67 S   HC   _H37    93     1.08915   113.75023    64.25458
   71    65 S   CT   _C11    58     1.51657   104.70419   165.29669
   72    71 S   HC   _H19    59     1.09457   112.35629  -157.60197
   73    71 S   HC   _H20    60     1.09386   112.02584    80.66948
   74    51 S   CT   _C17    81     1.55922   111.45025    59.26462
   75    74 S   HC   _H8_    82     1.09858   108.28041    57.68529
   76    71 S   CT   _C10    61     1.52737   103.75124   -37.24318
   77    76 S   HC   _H17    62     1.09394   109.17686   135.42393
   78    76 S   HC   _H18    63     1.09635   110.19951  -106.89106
   79    74 S   CT   _C18    83     1.53695   111.53085   -56.99017
   80    79 S   HC   _H9_    84     1.09461   109.80858   -71.75238
   81    62 S   CT   _C9_    64     1.57908   114.41530   137.31212
   82    81 S   HC   _H4_    65     1.10036   108.02919   -37.41884
   83    79 S   OH   _O36    88     1.42753   109.72856   170.15817
   84    83 S   HO   _H33    89     0.97560   107.30908   151.52542
   85    81 S   CT   _C5_    66     1.55973   118.91678    85.12394
   86    85 S   HC   _H3_    67     1.09523   108.25769    55.87637
   87    85 S   CT   _C4_    68     1.53289   111.91350   -62.61411
   88    87 S   HC   _H10    69     1.09494   111.27530   -50.76731
   89    87 S   HC   _H11    70     1.09369   111.91393  -171.29044
   90    87 S   HC   _H12    71     1.09016   111.27286    70.45725
   91    85 S   CT   _C6_    72     1.55418   111.79913   174.43701
   92    91 S   HC   _H13    73     1.09399   111.41235   -37.55534
   93    91 S   HC   _H14    74     1.09757   109.24583    78.91426
   94    91 S   CT   _C7_    75     1.53158   113.68464  -159.10481
   95    94 S   HC   _H15    76     1.09771   108.11613  -174.44614
   96    94 S   HC   _H16    77     1.09525   110.39711   -58.55712
   97    94 S   CO3  _C8_    78     1.53540   116.59203    66.12206
   98    97 S   O2Z  _O34    79     1.26470   114.22764  -161.68887
   99    97 S   O2Z  _O33    80     1.26246   116.67856    18.65351
  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  12   5   4   3
  23   2   1   1  14   5  14   6   5   8   4   8   5   4  11   4
   3  14  20   9   5   2   1   1  13   6   5  16   6  23   4   1
  19   9   9   3   2   1  11   6   5   7   3   8   4   3   3   2
  11   4   1   1  12   8   7   3   2   1   8   5   4   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    79    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    74    79    80    39    40    41    83    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    79    39    40    41    53  
   42    43    44    50    39  
   40    41    83    84    53    42    47    50    51    65    74    75    79    80  
   41    83    50    74    79    80  
   83    50    74    79    80  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    74    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    59    60    65    74    75    79    53    54    55    56  
   52    57    58    59    60    61    62    65    66    71    74    75    79    80    83    63    53    54    55    56  
   57    58    59    60    65    74    75    79    53  
   54    55    56    57    74  
   55    56  
   56  
    0  
   58    59    60    61    62    65    81    74    75    79    67    63    64  
   59    60    61    62    74    63  
   60    61    62    74    63  
   61    62    65    66    71    76    81    82    85    74    67    68    69    70    63    64  
   62    65    81    67    63    64  
   65    66    71    72    73    76    77    78    81    82    85    86    87    91    74    75    79    67    68    69    70    63    64  
   64    65    67    81  
    0  
   66    71    72    73    76    77    78    81    82    85    74    75    79    80    83    67    68    69    70  
   71    72    73    76    81    74    75    79    67  
   68    69    70    71    74    76    81    82    85  
   69    70    81  
   70    81  
   81  
   72    73    76    77    78    81    82    85    74    75    79  
   73    76    77    78    81    74  
   76    77    78    81    74  
   75    79    80    83    84    76    81  
   79    80    83  
   77    78    81    82    85    86    87    91  
   78    81    82    85  
   81    82    85  
   80    83    84  
   83    84  
   82    85    86    87    88    89    90    91    92    93    94  
   85    86    87    91  
   84  
    0  
   86    87    88    89    90    91    92    93    94    95    96    97  
   87    88    89    90    91    92    93    94  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91  
   91  
   92    93    94    95    96    97    98    99  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99  
   98    99  
   99  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   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   3.5000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.120000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    74   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    63   320.000  1.410
   62    65   268.000  1.529
   62    81   268.000  1.529
   62    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    85   268.000  1.529
   85    86   340.000  1.090
   85    87   268.000  1.529
   85    91   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   317.000  1.522
   97    98   656.000  1.250
   97    99   656.000  1.250
   74    75   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    39   268.000  1.529
   79    83   320.000  1.410
   39    40   340.000  1.090
   39    41   340.000  1.090
   83    84   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   63    64   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    79    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    74    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   51    74    65    58.35000  112.70000
   51    74    75    37.50000  110.70000
   51    74    79    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    63    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    65    58.35000  112.70000
   60    62    81    58.35000  112.70000
   60    62    67    58.35000  112.70000
   60    63    64    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    71    58.35000  112.70000
   62    65    74    58.35000  112.70000
   62    81    76    58.35000  112.70000
   62    81    82    37.50000  110.70000
   62    81    85    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    76    58.35000  112.70000
   65    74    75    37.50000  110.70000
   65    74    79    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    81    58.35000  112.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    85    58.35000  112.70000
   78    76    77    33.00000  107.80000
   81    62    65    58.35000  112.70000
   81    76    77    37.50000  110.70000
   81    76    78    37.50000  110.70000
   81    85    86    37.50000  110.70000
   81    85    87    58.35000  112.70000
   81    85    91    58.35000  112.70000
   85    81    82    37.50000  110.70000
   85    87    88    37.50000  110.70000
   85    87    89    37.50000  110.70000
   85    87    90    37.50000  110.70000
   85    91    92    37.50000  110.70000
   85    91    93    37.50000  110.70000
   85    91    94    58.35000  112.70000
   87    85    86    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    85    86    37.50000  110.70000
   91    85    87    58.35000  112.70000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    70.00000  109.69300
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    97    98    70.00000  117.00000
   94    97    99    70.00000  117.00000
   96    94    95    33.00000  107.80000
   97    94    95    35.00000  109.50000
   97    94    96    35.00000  109.50000
   99    97    98    80.00000  126.00000
   74    51    52    37.50000  110.70000
   74    51    57    58.35000  112.70000
   74    65    66    37.50000  110.70000
   74    65    71    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    39    58.35000  112.70000
   74    79    83    50.00000  109.50000
   79    74    75    37.50000  110.70000
   79    39    40    37.50000  110.70000
   79    39    41    37.50000  110.70000
   79    83    84    55.00000  108.50000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    79    80    37.50000  110.70000
   41    39    40    33.00000  107.80000
   83    79    80    35.00000  109.50000
   83    79    39    50.00000  109.50000
   67    62    65    58.35000  112.70000
   67    62    81    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    50.00000  109.50000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
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   39    79    83    84  -0.09450 -1.0 2.0
   39    79    83    84   0.21250  1.0 3.0
   83    79    39    33   0.86500  1.0 1.0
   83    79    39    33  -0.17500 -1.0 2.0
   83    79    39    33   0.20800  1.0 3.0
   83    79    39    40   0.23400  1.0 3.0
   83    79    39    41   0.23400  1.0 3.0
   67    62    65    66   0.15000  1.0 3.0
   67    62    65    71   0.56750  1.0 1.0
   67    62    65    71  -0.07550 -1.0 2.0
   67    62    65    71   0.20000  1.0 3.0
   67    62    65    74   0.56750  1.0 1.0
   67    62    65    74  -0.07550 -1.0 2.0
   67    62    65    74   0.20000  1.0 3.0
   67    62    81    76   0.56750  1.0 1.0
   67    62    81    76  -0.07550 -1.0 2.0
   67    62    81    76   0.20000  1.0 3.0
   67    62    81    82   0.15000  1.0 3.0
   67    62    81    85   0.56750  1.0 1.0
   67    62    81    85  -0.07550 -1.0 2.0
   67    62    81    85   0.20000  1.0 3.0
   63    60    62    65   0.86500  1.0 1.0
   63    60    62    65  -0.17500 -1.0 2.0
   63    60    62    65   0.20800  1.0 3.0
   63    60    62    81   0.86500  1.0 1.0
   63    60    62    81  -0.17500 -1.0 2.0
   63    60    62    81   0.20800  1.0 3.0
   63    60    62    67   0.86500  1.0 1.0
   63    60    62    67  -0.17500 -1.0 2.0
   63    60    62    67   0.20800  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    74   0.56750  1.0 1.0
   53    50    51    74  -0.07550 -1.0 2.0
   53    50    51    74   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
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   98    94    97    99  10.50000 -1.0 2.0
END
