* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    148    224     431
    1     0 S   NP   _N1_     1    29.11902    96.16674   -25.19659
    2     1 S   H    _HN1     2     1.02830    36.38463   179.39348
    3     1 S   H    _H1_     3     1.02798   115.93616   -95.51838
    4     1 S   H    _H2_     4     1.02947    71.01208     6.16491
    5     1 S   CT   _CA1     5     1.50124   128.40474   107.65117
    6     5 S   HC   _HA1     6     1.09578   105.19703    96.52668
    7     5 S   CO3  _C1_     7     1.53787   112.20048   -23.70924
    8     7 S   O2Z  _O11     8     1.26365   115.03844   -47.89629
    9     7 S   O2Z  _O12     9     1.26215   114.94235   130.95822
   10     5 S   CT   _CB1    10     1.53066   107.38108  -145.54302
   11    10 S   HC   HB11    11     1.09844   109.45921   -48.67539
   12    10 S   HC   HB12    12     1.09803   110.49830    67.94826
   13    10 S   CT   _CG1    13     1.53006   112.55549  -169.49813
   14    13 S   HC   HG11    14     1.09557   110.80704   -65.43103
   15    13 S   HC   HG12    15     1.09636   109.59065    53.89322
   16    13 S   C    _CD1    16     1.51776   111.90295   174.31680
   17    16 S   O    _OE1    17     1.22766   123.10061    14.02436
   18    16 S   N    _N2_    18     1.38647   111.92538  -166.15364
   19    18 S   H    _HN2    19     1.01573   119.11784     1.61979
   20    18 S   CT1  _CA2    20     1.46242   123.21210   176.45867
   21    20 S   HC   _HA2    21     1.09721   109.23798     7.51105
   22    20 S   C    _C2_    22     1.53740   109.23096  -108.19236
   23    22 S   O    _O2_    23     1.23099   122.05918  -154.21836
   24    20 S   CT   _CB2    32     1.53385   111.65437   129.49987
   25    24 S   HC   HB21    33     1.09329   109.38974    59.10656
   26    24 S   HC   HB22    34     1.09462   109.91618   177.58370
   27    22 S   N    _N3_    24     1.38245   114.10189    33.01285
   28    27 S   H    _HN3    25     1.01532   119.56543    -3.38622
   29    24 S   S    _SG2    35     1.83058   111.57777   -62.76020
   30    27 S   CT   _CA3    26     1.45258   123.35134   177.54449
   31    30 S   HC   HA31    27     1.09544   107.55031   -64.45548
   32    30 S   HC   HA32    28     1.09555   107.97151    52.02450
   33    29 S   CT   _C24    36     1.86508   101.20057   164.26247
   34    30 S   CO3  _C3_    29     1.52980   113.98685   174.00449
   35    34 S   O2Z  _O31    30     1.26393   116.07432     0.47929
   36    34 S   O2Z  _O32    31     1.26422   114.42267  -179.48986
   37    33 S   CM   _C15    37     1.52500   107.50652   -68.03792
   38    37 S   HC   _H33    38     1.09412   112.56871   -55.01063
   39    33 S   CT   _C20    77     1.53609   108.93911    61.08861
   40    39 S   HC   _H40    78     1.09715   111.40550    54.59129
   41    39 S   HC   _H41    79     1.09659   111.00520   172.98594
   42    39 S   HC   _H42    80     1.09456   112.86999   -66.23823
   43    33 S   CT   _C21    81     1.54111   106.07080   177.04547
   44    43 S   HC   _H43    82     1.09693   111.80490   -61.43703
   45    43 S   HC   _H44    83     1.09733   112.33424    59.80305
   46    43 S   HC   _H45    84     1.09725   110.67527   179.30705
   47    37 S   CMA  _C17    39     1.35566   131.81658   124.77553
   48    47 S   OM   _O22    40     1.26528   127.08418     1.91602
   49    47 S   OS   _O27    41     1.42071   109.38374  -179.63203
   50    49 S   CT   _C23    42     1.44440   116.19671   135.24835
   51    50 S   HC   _H48    43     1.09764   108.95086    45.53345
   52    50 S   CM   _C13    44     1.52539   109.56052   162.18695
   53    50 S   CT   _C22    63     1.54849   110.32887   -74.45569
   54    53 S   HC   _H46    64     1.09339   109.84026   172.72525
   55    53 S   HC   _H47    65     1.09625   109.61874    57.67677
   56    52 S   CM   _C10    45     1.33859   123.96819    15.53115
   57    56 S   HC   _H31    46     1.08558   121.41867     0.43024
   58    53 S   CM   _C14    66     1.50800   113.42747   -61.65562
   59    58 S   HC   _H32    67     1.08967   113.92817    69.17689
   60    56 S   CO4  _C11    47     1.47269   123.26986   179.52522
   61    60 S   O    _O23    48     1.22562   119.95496   178.36266
   62    58 S   CM   _C16    68     1.34655   128.10779  -110.71023
   63    60 S   CA   _C6_    49     1.47660   118.29400    -2.10441
   64    62 S   CT   _C18    69     1.50539   120.23417   179.59266
   65    64 S   HC   _H34    70     1.09484   110.28844   119.57693
   66    64 S   HC   _H35    71     1.09472   112.24385    -0.64011
   67    64 S   HC   _H36    72     1.09495   110.29480  -120.52245
   68    62 S   CT   _C19    73     1.50237   125.50918     0.52638
   69    68 S   HC   _H37    74     1.09535   109.99817   121.45973
   70    68 S   HC   _H38    75     1.09136   113.79410     1.36114
   71    68 S   HC   _H39    76     1.09503   110.02547  -119.29558
   72    63 S   CA   _C7_    50     1.40131   119.70888     2.77735
   73    72 S   CA   _C9_    51     1.40680   119.07346  -179.89913
   74    52 S   CO4  _C12    61     1.49030   116.67385  -163.43450
   75    74 S   O    _O24    62     1.22685   120.80172     3.21272
   76    73 S   CA   _C5_    52     1.39494   120.89853     0.01978
   77    76 S   HA   _H30    53     1.08685   120.41178   179.94405
   78    73 S   OH   _O26    59     1.36983   123.63055   179.87028
   79    78 S   HO   _H50    60     0.97381   108.99843     1.19975
   80    76 S   CA   _C4_    54     1.38994   119.89683    -0.07402
   81    80 S   HA   _H29    55     1.08677   119.73144  -180.00000
   82    63 S   CA   _C8_    56     1.40596   120.74185  -177.18707
   83    82 S   OH   _O25    57     1.36951   123.55473    -0.00000
   84    83 S   HO   _H49    58     0.97383   109.03649    -0.40542
  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
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
   9  14   7  13   9   4   3   8   4  10   3   8   3   8  11   7
   3   2   1   3   2   1   1  10   9   4   1   7   4   2   1   4
   2   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    53  
   49    50  
   50    51    52    56    74    53    54    55    58  
   51    52    56    57    60    72    74    75    53    54    55    58    59    62  
   52    56    74    53    54    55    58  
   56    57    60    61    63    72    73    74    75    53    54    55    58  
   54    55    58    59    62    64    68    56    74  
   55    58    59    62  
   58    59    62  
   57    60    61    63    72    82    74    75  
   60    61    63    74  
   59    62    64    65    66    67    68    69    70    71  
   62    64    68  
   61    63    72    73    80    82    83    74  
   63    72    82  
   64    65    66    67    68    69    70    71  
   72    73    76    80    81    82    83    84    78    74    75  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    76    77    80    82    83    78    79    74    75  
   76    77    80    81    82    78    79    74    75  
   75    76    78    82  
    0  
   77    80    81    82    83    78    79  
   80    81    82    78  
   79    80  
    0  
   81    82    83    84  
   82    83  
   83    84  
   84  
    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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    56   549.000  1.340
   52    74   320.000  1.462
   56    57   340.000  1.080
   56    60   320.000  1.462
   60    61   570.000  1.229
   60    63   310.000  1.470
   63    72   469.000  1.400
   63    82   469.000  1.400
   72    73   469.000  1.400
   72    74   310.000  1.470
   73    76   469.000  1.400
   73    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   450.000  1.364
   83    84   553.000  0.945
   78    79   553.000  0.945
   74    75   570.000  1.229
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    59   340.000  1.080
   58    62   549.000  1.340
   62    64   317.000  1.510
   62    68   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  110.90400
   49    50    53    50.00000  109.50000
   50    52    56    70.00000  124.00000
   50    52    74    65.00000  116.34900
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    58    70.00000  112.02700
   52    50    51    35.00000  109.50000
   52    56    57    35.00000  120.00000
   52    56    60    65.00000  118.96000
   52    74    72    65.00000  117.02400
   52    74    75    80.00000  123.72100
   56    60    61    80.00000  123.72100
   56    60    63    65.00000  117.02400
   60    56    57    40.00000  117.72500
   60    63    72    60.00000  119.52600
   60    63    82    60.00000  119.52600
   63    60    61    75.00000  123.78400
   63    72    73    63.00000  120.00000
   63    72    74    60.00000  119.52600
   63    82    80    63.00000  120.00000
   63    82    83    70.00000  120.00000
   72    73    76    63.00000  120.00000
   72    73    78    70.00000  120.00000
   72    74    75    75.00000  123.78400
   73    76    77    35.00000  120.00000
   73    76    80    63.00000  120.00000
   73    78    79    35.00000  113.00000
   76    80    81    35.00000  120.00000
   76    80    82    63.00000  120.00000
   80    76    77    35.00000  120.00000
   80    82    83    70.00000  120.00000
   82    63    72    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  113.00000
   78    73    76    70.00000  120.00000
   74    52    56    65.00000  118.96000
   74    72    73    60.00000  119.52600
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.02700
   53    58    59    35.00000  117.00000
   53    58    62    70.00000  124.00000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    62    64    70.00000  124.00000
   58    62    68    70.00000  124.00000
   62    58    59    35.00000  120.00000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    35.00000  109.50000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    62    64    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51   0.08050  1.0 3.0
   47    49    50    52  -0.48150  1.0 1.0
   47    49    50    52   0.09250 -1.0 2.0
   47    49    50    52  -0.12850  1.0 3.0
   47    49    50    53  -0.46850  1.0 1.0
   47    49    50    53   0.09300 -1.0 2.0
   47    49    50    53  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    52    56   0.39000  1.0 1.0
   49    50    52    56  -0.05800 -1.0 2.0
   49    50    52    56  -0.55150  1.0 3.0
   49    50    52    74   0.09700  1.0 1.0
   49    50    52    74   0.15600 -1.0 2.0
   49    50    52    74  -0.50800  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    58   0.61850  1.0 1.0
   49    50    53    58  -0.22750 -1.0 2.0
   49    50    53    58   0.15300  1.0 3.0
   50    52    56    57   7.00000 -1.0 2.0
   50    52    56    60   7.00000 -1.0 2.0
   50    52    74    72   1.50000 -1.0 2.0
   50    52    74    75  -0.64400  1.0 1.0
   50    52    74    75   0.26850 -1.0 2.0
   50    53    58    59   0.00000  1.0 1.0
   50    53    58    62   0.09850  1.0 1.0
   50    53    58    62   0.15250 -1.0 2.0
   50    53    58    62  -0.50650  1.0 3.0
   51    50    52    56   0.00000  1.0 1.0
   51    50    52    74   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    58   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    58   0.31000  1.0 1.0
   52    50    53    58   0.14700 -1.0 2.0
   52    50    53    58   0.07550  1.0 3.0
   52    56    60    61   1.00000 -1.0 2.0
   52    56    60    63  -1.65800  1.0 1.0
   52    56    60    63   0.77650 -1.0 2.0
   56    52    74    72  -1.65800  1.0 1.0
   56    52    74    72   0.77650 -1.0 2.0
   56    52    74    75   1.00000 -1.0 2.0
   56    60   -63    72  -0.11500  1.0 1.0
   56    60   -63    72   1.10450 -1.0 2.0
   56    60   -63    72  -0.48050  1.0 3.0
   56    60    63    82  -0.11500  1.0 1.0
   56    60    63    82   1.10450 -1.0 2.0
   56    60    63    82  -0.48050  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    63   1.64500 -1.0 2.0
   60    63    72    73   3.62500 -1.0 2.0
   60    63    72    74   3.62500 -1.0 2.0
   60    63    82    80   3.62500 -1.0 2.0
   60    63    82    83   3.62500 -1.0 2.0
   61    60    63    72   1.05000 -1.0 2.0
   61    60    63    82   1.05000 -1.0 2.0
   63    72    73    76   3.62500 -1.0 2.0
   63    72    73    78   3.62500 -1.0 2.0
   63    72   -74    52  -0.11500  1.0 1.0
   63    72   -74    52   1.10450 -1.0 2.0
   63    72   -74    52  -0.48050  1.0 3.0
   63    72    74    75   1.05000 -1.0 2.0
   63    82    83    84   0.84100 -1.0 2.0
   72    63    82    80   3.62500 -1.0 2.0
   72    63    82    83   3.62500 -1.0 2.0
   72    73    76    77   3.62500 -1.0 2.0
   72    73   -76    80   3.62500 -1.0 2.0
   72    73    78    79   0.84100 -1.0 2.0
   73    72    74    52  -0.11500  1.0 1.0
   73    72    74    52   1.10450 -1.0 2.0
   73    72    74    52  -0.48050  1.0 3.0
   73    72    74    75   1.05000 -1.0 2.0
   73    76    80    81   3.62500 -1.0 2.0
   73    76    80    82   3.62500 -1.0 2.0
   76    73    78    79   0.84100 -1.0 2.0
   76    80   -82    63   3.62500 -1.0 2.0
   76    80    82    83   3.62500 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   77    76    80    82   3.62500 -1.0 2.0
   80    82    83    84   0.84100 -1.0 2.0
   81    80    82    63   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    63   -72    73   3.62500 -1.0 2.0
   82    63    72    74   3.62500 -1.0 2.0
   78    73    76    77   3.62500 -1.0 2.0
   78    73    76    80   3.62500 -1.0 2.0
   74    52    56    57   7.00000 -1.0 2.0
   74    52   -56    60   7.00000 -1.0 2.0
   74    72    73    76   3.62500 -1.0 2.0
   74    72    73    78   3.62500 -1.0 2.0
   53    50    52    56   0.09850  1.0 1.0
   53    50    52    56   0.15250 -1.0 2.0
   53    50    52    56  -0.50650  1.0 3.0
   53    50    52    74   0.09700  1.0 1.0
   53    50    52    74   0.15600 -1.0 2.0
   53    50    52    74  -0.50800  1.0 3.0
   53    58    62    64   7.00000 -1.0 2.0
   53    58    62    68   7.00000 -1.0 2.0
   54    53    58    59   0.33100  1.0 3.0
   54    53    58    62   0.00000  1.0 1.0
   55    53    58    59   0.33100  1.0 3.0
   55    53    58    62   0.00000  1.0 1.0
   58    62    64    65   0.00000  1.0 1.0
   58    62    64    66   0.00000  1.0 1.0
   58    62    64    67   0.00000  1.0 1.0
   58    62    68    69   0.00000  1.0 1.0
   58    62    68    70   0.00000  1.0 1.0
   58    62    68    71   0.00000  1.0 1.0
   59    58    62    64   7.00000 -1.0 2.0
   59    58    62    68   7.00000 -1.0 2.0
   64    62    68    69   0.34800  1.0 3.0
   64    62    68    70   0.34800  1.0 3.0
   64    62    68    71   0.34800  1.0 3.0
   68    62    64    65   0.34800  1.0 3.0
   68    62    64    66   0.34800  1.0 3.0
   68    62    64    67   0.34800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   50    74    52    56   1.10000 -1.0 2.0
   60    57    56    52   1.10000 -1.0 2.0
   56    63    60    61  10.50000 -1.0 2.0
   72    82    63    60   4.00000 -1.0 2.0
   73    74    72    63   4.00000 -1.0 2.0
   76    78    73    72   4.00000 -1.0 2.0
   80    77    76    73   1.10000 -1.0 2.0
   82    81    80    76   1.10000 -1.0 2.0
   80    83    82    63   4.00000 -1.0 2.0
   52    72    74    75  10.50000 -1.0 2.0
   53    59    58    62  15.00000 -1.0 2.0
   64    68    62    58  15.00000 -1.0 2.0
END
