* LIGAND DATABASE FILE (OPLS2005)
*
001      99   102    195    320     591
    1     0 S   NP   _N1_     1    29.07787    93.13550   -26.57234
    2     1 S   H    _HN1     2     1.02949    89.79365    12.28954
    3     1 S   H    _H1_     3     1.02828    18.25501  -149.23947
    4     1 S   H    _H2_     4     1.02788   120.36529   -98.99883
    5     1 S   CT   _CA1     5     1.50112   113.11016   124.47160
    6     5 S   HC   _HA1     6     1.09573   105.19376    78.77100
    7     5 S   CO3  _C1_     7     1.53789   112.47810   -41.47090
    8     7 S   O2Z  _O11     8     1.26373   115.00843   -42.36075
    9     7 S   O2Z  _O12     9     1.26241   114.94729   136.78066
   10     5 S   CT   _CB1    10     1.53076   107.41869  -163.23847
   11    10 S   HC   HB11    11     1.09834   109.37497   -49.63876
   12    10 S   HC   HB12    12     1.09813   110.44675    66.97225
   13    10 S   CT   _CG1    13     1.52990   112.60521  -170.60895
   14    13 S   HC   HG11    14     1.09581   110.64157   -65.72255
   15    13 S   HC   HG12    15     1.09670   109.77627    53.51254
   16    13 S   C    _CD1    16     1.51797   112.20952   173.97722
   17    16 S   O    _OE1    17     1.22729   123.26634     7.33163
   18    16 S   N    _N2_    18     1.38645   111.67407  -172.69644
   19    18 S   H    _HN2    19     1.01566   118.93528     1.86865
   20    18 S   CT1  _CA2    20     1.46256   123.45166   177.65849
   21    20 S   HC   _HA2    21     1.09738   109.38487     4.91171
   22    20 S   C    _C2_    22     1.53606   108.41594  -110.58881
   23    22 S   O    _O2_    23     1.23054   122.36646  -146.15239
   24    20 S   CT   _CB2    32     1.53538   111.62661   126.97303
   25    24 S   HC   HB21    33     1.09479   109.36805    56.34307
   26    24 S   HC   HB22    34     1.09325   109.54654   175.27847
   27    22 S   N    _N3_    24     1.38359   113.69587    41.14938
   28    27 S   H    _HN3    25     1.01568   119.60414    -2.92944
   29    24 S   S    _SG2    35     1.83046   111.00529   -64.03853
   30    27 S   CT   _CA3    26     1.45285   123.21640   177.29709
   31    30 S   HC   HA31    27     1.09548   107.48224   -65.37494
   32    30 S   HC   HA32    28     1.09556   108.02137    51.07260
   33    29 S   CT   _C10    36     1.89803   103.07376  -171.64041
   34    30 S   CO3  _C3_    29     1.52964   114.07806   173.09388
   35    34 S   O2Z  _O31    30     1.26376   116.07526    -0.68041
   36    34 S   O2Z  _O32    31     1.26428   114.41144   179.38324
   37    33 S   CM   _C9_    37     1.52339   105.34543    66.73910
   38    37 S   HC   _H13    38     1.09056   116.07766   -81.05084
   39    33 S   CT   _C11    89     1.54789   107.92558   -51.44319
   40    39 S   HC   _H14    90     1.09680   111.10274    65.37290
   41    39 S   HC   _H15    91     1.09757   110.38398   -52.15578
   42    37 S   CMA  _C8_    39     1.35017   126.74918    99.80791
   43    42 S   OM   _O40    40     1.26202   129.28275   178.90050
   44    42 S   CT   _C7_    41     1.52385   119.52593    -0.92598
   45    44 S   HC   _H11    42     1.09985   109.17099   113.82403
   46    44 S   HC   _H12    43     1.10015   110.44958  -129.79638
   47    44 S   CT   _C6_    44     1.53327   115.18293    -8.25707
   48    47 S   HC   _H9_    45     1.09417   108.78159   165.26234
   49    47 S   HC   _H10    46     1.09763   108.20090   -82.26923
   50    33 S   CT   _C5_    47     1.59845   111.20700  -173.27051
   51    50 S   CT   _C14    48     1.58618   109.64743   170.94193
   52    51 S   HC   _H4_    49     1.09839   107.93398    61.94985
   53    50 S   CT   _C4_    96     1.55439   111.55057    49.43321
   54    53 S   HC   _H6_    97     1.09341   112.29556    52.80646
   55    53 S   HC   _H7_    98     1.09490   112.00452   -68.16350
   56    53 S   HC   _H8_    99     1.09305   112.20681   173.37280
   57    51 S   CO4  _C15    50     1.54782   116.36214   177.10606
   58    57 S   O    _O33    51     1.22985   123.92777    -5.75268
   59    57 S   CT   _C16    52     1.52386   116.71329   178.35242
   60    59 S   HC   _H18    53     1.09569   107.23731    68.03385
   61    59 S   HC   _H19    54     1.09377   108.22945  -176.44995
   62    59 S   CT   _C17    55     1.53333   110.05501   -54.59050
   63    62 S   CT   _C18    56     1.55060   106.62897    57.26357
   64    63 S   HC   _H5_    57     1.10245   108.56841    55.31810
   65    62 S   CT   _C28    92     1.55169   109.48588   -65.72429
   66    65 S   HC   _H31    93     1.09436   112.51517   178.97245
   67    65 S   HC   _H32    94     1.09410   112.56538    57.82972
   68    65 S   HC   _H33    95     1.09548   110.81318   -61.06920
   69    63 S   CT   _C19    58     1.52384   103.77910   168.05912
   70    69 S   HC   _H20    59     1.09497   111.91694  -154.37117
   71    69 S   HC   _H21    60     1.09590   111.50545    85.21832
   72    51 S   CT   _C13    84     1.55302   112.14767   -55.01551
   73    72 S   HC   _H3_    85     1.09546   109.93061   -60.67388
   74    69 S   CT   _C20    61     1.53787   104.57866   -34.03743
   75    74 S   HC   _H22    62     1.09535   108.38239   130.17649
   76    74 S   HC   _H23    63     1.09610   109.89562  -112.86241
   77    72 S   CT   _C12    86     1.52979   109.91494    57.91525
   78    77 S   HC   _H16    87     1.09647   110.06748  -177.38281
   79    77 S   HC   _H17    88     1.09728   110.21961    65.54319
   80    62 S   CT   _C21    64     1.55735   116.71597   167.88755
   81    80 S   CO4  _C22    65     1.53898   115.96372    81.64325
   82    81 S   O    _O34    66     1.23284   121.47299   112.52171
   83    80 S   OH   _O39    82     1.42793   110.15273   -39.32293
   84    83 S   HO   _H30    83     0.97297   108.25933  -168.29718
   85    81 S   CT   _C23    67     1.52083   117.60755   -67.40965
   86    85 S   HC   _H24    68     1.09239   108.87169    74.23774
   87    85 S   HC   _H25    69     1.09369   109.60500   -47.84974
   88    85 S   OS   _O35    70     1.43011   108.65079  -167.13554
   89    88 S   CO4  _C24    71     1.36573   115.20229  -179.61896
   90    89 S   O    _O36    72     1.22343   125.57556    -1.60303
   91    89 S   CT   _C25    73     1.51277   109.09601  -179.80517
   92    91 S   HC   _H26    74     1.09596   108.94125   -41.48548
   93    91 S   HC   _H27    75     1.09568   107.37090    75.66038
   94    91 S   CT   _C26    76     1.52336   112.64766  -163.77863
   95    94 S   HC   _H28    77     1.09723   108.46145  -170.13309
   96    94 S   HC   _H29    78     1.09709   110.02735   -53.35480
   97    94 S   CO3  _C27    79     1.53306   116.02671    69.80819
   98    97 S   O2Z  _O38    80     1.26499   114.08320  -173.69650
   99    97 S   O2Z  _O37    81     1.26141   116.55873     6.74314
  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  13   6   5   8   4   8   5   4  11   4
   3  13  19   8   5   2   1   1  11   5  15   5   4  21  19   9
   9   3   2   1  11   6   5   6   3   8   4   3   2   1   1   8
   8   5   2   1   6   3   2   6   8   4   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    77    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    72    77    78    79    39    40    41    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    77    39    40    41    53  
   42    43    44    50    39  
   40    41    53    42    47    50    51    63    72    73    77    78    79  
   41    50    72    77    78    79  
   50    72    77    78    79  
   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    72    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    59    63    72    73    77    53    54    55    56  
   52    57    58    59    60    61    62    63    64    69    72    73    77    78    79    53    54    55    56  
   57    58    59    63    72    73    77    53  
   54    55    56    57    72  
   55    56  
   56  
    0  
   58    59    60    61    62    63    80    72    73    77    65  
   59    60    61    62    72  
   60    61    62    63    64    69    74    80    81    83    72    65    66    67    68  
   61    62    63    80    65  
   62    63    80    65  
   63    64    69    70    71    74    75    76    80    81    82    85    83    84    72    73    77    65    66    67    68  
   64    69    70    71    74    75    76    80    81    83    72    73    77    78    79    65    66    67    68  
   69    70    71    74    80    72    73    77    65  
   66    67    68    69    72    74    80    81    83  
   67    68    80  
   68    80  
   80  
   70    71    74    75    76    80    81    83    72    73    77  
   71    74    75    76    80    72  
   74    75    76    80    72  
   73    77    78    79    74    80  
   77    78    79  
   75    76    80    81    82    85    83    84  
   76    80    81    83  
   80    81    83  
   78    79  
   79  
    0  
   81    82    85    86    87    88    83    84  
   82    85    86    87    88    89    83    84  
   85    86    87    88    83  
   84    85  
    0  
   86    87    88    89    90    91  
   87    88    89  
   88    89  
   89    90    91    92    93    94  
   90    91    92    93    94    95    96    97  
   91    92    93    94  
   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   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0150   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   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   317.000  1.522
   51    72   268.000  1.529
   57    58   570.000  1.229
   57    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   268.000  1.529
   62    80   268.000  1.529
   62    65   268.000  1.529
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   268.000  1.529
   80    81   317.000  1.522
   80    83   320.000  1.410
   81    82   570.000  1.229
   81    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   214.000  1.327
   89    90   570.000  1.229
   89    91   317.000  1.522
   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
   83    84   553.000  0.945
   72    73   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   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    77    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    63.00000  111.10000
   50    51    72    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    80.00000  120.40000
   51    57    59    70.00000  116.00000
   51    72    63    58.35000  112.70000
   51    72    73    37.50000  110.70000
   51    72    77    58.35000  112.70000
   57    51    52    35.00000  109.50000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    63.00000  111.10000
   59    57    58    80.00000  120.40000
   59    62    63    58.35000  112.70000
   59    62    80    58.35000  112.70000
   59    62    65    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    69    58.35000  112.70000
   62    63    72    58.35000  112.70000
   62    80    74    58.35000  112.70000
   62    80    81    63.00000  111.10000
   62    80    83    50.00000  109.50000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    74    58.35000  112.70000
   63    72    73    37.50000  110.70000
   63    72    77    58.35000  112.70000
   69    63    64    37.50000  110.70000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    80    58.35000  112.70000
   71    69    70    33.00000  107.80000
   74    69    70    37.50000  110.70000
   74    69    71    37.50000  110.70000
   74    80    81    63.00000  111.10000
   74    80    83    50.00000  109.50000
   76    74    75    33.00000  107.80000
   80    62    63    58.35000  112.70000
   80    74    75    37.50000  110.70000
   80    74    76    37.50000  110.70000
   80    81    82    80.00000  120.40000
   80    81    85    70.00000  116.00000
   80    83    84    55.00000  108.50000
   81    85    86    35.00000  109.50000
   81    85    87    35.00000  109.50000
   81    85    88    90.00000  108.74100
   85    81    82    80.00000  120.40000
   85    88    89    83.00000  116.90000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   88    89    90    83.00000  123.40000
   88    89    91    81.00000  111.40000
   89    91    92    35.00000  109.50000
   89    91    93    35.00000  109.50000
   89    91    94    63.00000  111.10000
   91    89    90    80.00000  120.40000
   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
   83    80    81    90.00000  109.61100
   72    51    52    37.50000  110.70000
   72    51    57    63.00000  111.10000
   72    63    64    37.50000  110.70000
   72    63    69    58.35000  112.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    39    58.35000  112.70000
   77    72    73    37.50000  110.70000
   77    39    40    37.50000  110.70000
   77    39    41    37.50000  110.70000
   79    77    78    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    77    78    37.50000  110.70000
   39    77    79    37.50000  110.70000
   41    39    40    33.00000  107.80000
   65    62    63    58.35000  112.70000
   65    62    80    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   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
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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
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   65    62    80    83  -0.17500 -1.0 2.0
   65    62    80    83   0.20800  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57  -0.95700  1.0 1.0
   53    50    51    57  -0.18200 -1.0 2.0
   53    50    51    57   0.29450  1.0 3.0
   53    50    51    72   0.56750  1.0 1.0
   53    50    51    72  -0.07550 -1.0 2.0
   53    50    51    72   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
   51    59    57    58  10.50000 -1.0 2.0
   80    85    81    82  10.50000 -1.0 2.0
   88    91    89    90  10.50000 -1.0 2.0
   98    94    97    99  10.50000 -1.0 2.0
END
