* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    150    223     429
    1     0 S   NP   _N1_     1    29.07097    97.63432   -20.63481
    2     1 S   H    _HN1     2     1.02784    90.89192   -99.63555
    3     1 S   H    _H1_     3     1.02943    66.64099    10.02276
    4     1 S   H    _H2_     4     1.02822    52.05725   148.18144
    5     1 S   CT   _CA1     5     1.50173   155.81091    98.03202
    6     5 S   HC   _HA1     6     1.09570   105.16666    99.89933
    7     5 S   CO3  _C1_     7     1.53817   112.02772   -20.27890
    8     7 S   O2Z  _O11     8     1.26388   115.00692   -48.48436
    9     7 S   O2Z  _O12     9     1.26192   114.94738   130.02156
   10     5 S   CT   _CB1    10     1.53028   107.31637  -142.19281
   11    10 S   HC   HB11    11     1.09839   109.51211   -47.65450
   12    10 S   HC   HB12    12     1.09804   110.47774    68.98652
   13    10 S   CT   _CG1    13     1.52972   112.57187  -168.47094
   14    13 S   HC   HG11    14     1.09443   110.74843   -62.69879
   15    13 S   HC   HG12    15     1.09667   109.78318    56.38194
   16    13 S   C    _CD1    16     1.51835   111.96378   176.57240
   17    16 S   O    _OE1    17     1.22770   123.24900     4.17167
   18    16 S   N    _N2_    18     1.38547   111.84794  -175.15888
   19    18 S   H    _HN2    19     1.01676   118.86271    -0.89700
   20    18 S   CT1  _CA2    20     1.46284   123.47399   176.68985
   21    20 S   HC   _HA2    21     1.09728   109.38425     7.96755
   22    20 S   C    _C2_    22     1.53617   108.88517  -107.73436
   23    22 S   O    _O2_    23     1.23099   122.21966  -147.63994
   24    20 S   CT   _CB2    32     1.53264   111.24817   130.05370
   25    24 S   HC   HB21    33     1.09287   108.92724    57.15047
   26    24 S   HC   HB22    34     1.09511   110.74355   175.18480
   27    22 S   N    _N3_    24     1.38331   113.90968    39.98911
   28    27 S   H    _HN3    25     1.01555   119.65637    -3.50140
   29    24 S   S    _SG2    35     1.83041   111.16519   -65.73512
   30    27 S   CT   _CA3    26     1.45281   123.13291   177.06128
   31    30 S   HC   HA31    27     1.09552   107.57244   -63.01835
   32    30 S   HC   HA32    28     1.09561   107.88799    53.37391
   33    29 S   CT   _C13    36     1.87046   101.29033   145.18890
   34    30 S   CO3  _C3_    29     1.52947   114.17965   175.38043
   35    34 S   O2Z  _O31    30     1.26362   116.12958     1.06845
   36    34 S   O2Z  _O32    31     1.26439   114.39633  -178.91899
   37    33 S   CM   _C8_    37     1.55149   111.44583   -59.32808
   38    33 S   CT   _C14    80     1.54211   107.19240   177.00154
   39    38 S   HC   _H15    81     1.09797   111.49539   -63.76729
   40    38 S   HC   _H16    82     1.09524   111.03881   177.87496
   41    38 S   HC   _H17    83     1.09319   113.61738    56.98461
   42    37 S   CT   _C7_    38     1.55893   117.33647   122.03497
   43    42 S   HC   _H3_    39     1.09996   105.34451  -130.71644
   44    37 S   CMA  _C9_    67     1.37927   123.78861   -56.12756
   45    44 S   OM   _O33    68     1.26995   125.04772   174.80246
   46    42 S   CA   _C15    40     1.52493   112.52200   111.82667
   47    42 S   CM   _C6_    52     1.51417   115.74461   -15.30193
   48    44 S   OS   _O34    69     1.41378   112.36581    -4.17762
   49    46 S   CA   _C16    41     1.41914   122.49763   -58.94060
   50    49 S   HA   _H18    42     1.08892   118.84745     0.00000
   51    47 S   CM   _C5_    53     1.34238   122.55325    15.70623
   52    47 S   CO4  _C21    60     1.48273   117.18346  -166.56194
   53    52 S   O    _O36    61     1.22152   124.17135  -116.94462
   54    48 S   CT   _C10    70     1.43700   118.11777  -152.53109
   55    54 S   HC   _H7_    71     1.09631   111.07048   -49.52850
   56    49 S   CA   _C17    43     1.42011   124.23800  -179.49063
   57    56 S   HA   _H19    44     1.08928   118.23710  -179.67615
   58    33 S   NE   _N4_    54     1.45767   105.64439    64.38751
   59    58 S   H    _H14    55     1.01610   115.61150    56.64378
   60    51 S   CT   _C4_    56     1.50686   124.89393   179.11530
   61    60 S   HC   _H4_    57     1.09613   110.15860   131.44686
   62    60 S   HC   _H5_    58     1.09295   113.64270    12.11855
   63    60 S   HC   _H6_    59     1.09501   110.03602  -109.34233
   64    52 S   OS   _O37    62     1.35816   108.60549    62.78867
   65    54 S   CT   _C11    72     1.52742   110.87814    74.08970
   66    65 S   HC   _H8_    73     1.09534   111.02843    55.28586
   67    65 S   HC   _H9_    74     1.09455   111.05533   176.19965
   68    65 S   HC   _H10    75     1.09444   111.35462   -63.34873
   69    54 S   CT   _C12    76     1.52691   106.40302  -166.57001
   70    69 S   HC   _H11    77     1.09586   110.99881   -59.39554
   71    69 S   HC   _H12    78     1.09416   111.34828   179.35563
   72    69 S   HC   _H13    79     1.09487   110.53405    58.56453
   73    56 S   CA   _C18    45     1.40303   123.19323     0.57369
   74    73 S   HA   _H20    46     1.08229   122.42878   179.86438
   75    64 S   CT   _C22    63     1.42978   115.08458  -178.73051
   76    75 S   HC   _H21    64     1.09325   108.11514   179.57989
   77    75 S   HC   _H22    65     1.09432   110.28511    60.90324
   78    75 S   HC   _H23    66     1.09422   110.29407   -61.69706
   79    73 S   CB   _C19    47     1.40515   114.26700     0.48979
   80    46 S   CB   _C20    48     1.41815   124.69612   123.22066
   81    80 S   N5A  _N5_    49     1.34070   129.45954    -0.05595
   82    81 S   OA   _O35    50     1.38153   106.21318  -179.82983
   83    79 S   N5A  _N6_    51     1.33887   128.93825   179.13430
  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  11   5   4   3
  16   2   1   1  18   8   3   2   1  18   7   9   2  13  13  10
   8   4   9   8   2   9   8   6   3   5   1   3   2   1   1   4
   7   3   2   1   3   2   1   1   6   3   3   2   1   1   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    58    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    58    59    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    58    59    60    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    80    47    51    58    59    52    44    45    48    54    38    39    40    41  
   39    40    41    42    44    51    58    59  
   40    41    58  
   41    58  
   58  
   43    46    49    50    56    79    80    81    47    51    58    60    52    53    64    44    45    48  
   46    49    80    47    51    52    44  
   45    48    54    55    65    69    46    47    58  
   48    54  
   49    50    56    57    73    79    80    81    82    83    47    51    52  
   51    58    59    60    61    62    63    52    53    64    75    49    80  
   54    55    65    66    67    68    69    70    71    72  
   50    56    57    73    74    79    80    81  
   56    57    73    80  
   58    59    60    61    62    63    52    53    64  
   53    64    75    76    77    78    58    60  
   64    75  
   55    65    66    67    68    69    70    71    72  
   65    66    67    68    69    70    71    72  
   57    73    74    79    80    83  
   73    74    79  
   59    60    61    62    63  
   60  
   61    62    63  
   62    63  
   63  
    0  
   75    76    77    78  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    79    80    81    82    83  
   79    80    83  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.402800   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.344200   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.074000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.155200   1.3810   1.2100   0.030040813   0.268726247
   58   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   59   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.476100   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.246900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700   0.522500   2.5000   1.7750   0.001000000  -0.843144165
   81   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
   82   3.0000   0.1700   0.049000   1.7000   1.5000   0.001000000  -0.126889456
   83   3.2800   0.1700  -0.399000   1.8000   1.6000   0.001000000  -0.511443539
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    58   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    80   475.000  1.379
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    57   367.000  1.080
   56    73   469.000  1.400
   73    74   367.000  1.080
   73    79   475.000  1.379
   79    80   400.000  1.418
   79    83   515.000  1.335
   80    81   515.000  1.335
   81    82   462.000  1.399
   82    83   462.000  1.399
   47    51   549.000  1.340
   47    52   320.000  1.462
   51    58   425.000  1.378
   51    60   317.000  1.510
   58    59   434.000  1.010
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   52    53   570.000  1.229
   52    64   214.000  1.327
   64    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    65   268.000  1.529
   54    69   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    58    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    58    51    50.00000  121.00000
   33    58    59    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    80    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    52    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    56    63.00000  120.00000
   46    80    79    65.00000  118.98700
   46    80    81    60.00000  134.84400
   49    56    57    35.00000  120.00000
   49    56    73    63.00000  120.00000
   56    49    50    35.00000  120.00000
   56    73    74    35.00000  120.00000
   56    73    79    70.00000  117.01800
   73    56    57    35.00000  120.00000
   73    79    80    65.00000  118.98700
   73    79    83    60.00000  134.84400
   79    73    74    40.00000  121.44600
   79    80    81    80.00000  113.57000
   79    83    82   120.00000  103.45200
   80    46    49    70.00000  117.01800
   80    81    82   120.00000  103.45200
   81    82    83   120.00000  111.70000
   83    79    80    80.00000  113.57000
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    58    70.00000  124.03900
   47    51    60    70.00000  124.00000
   47    52    53    80.00000  123.72100
   47    52    64    90.00000  111.29400
   51    58    59    35.00000  114.50000
   51    60    61    35.00000  109.50000
   51    60    62    35.00000  109.50000
   51    60    63    35.00000  109.50000
   58    33    37    80.00000  112.42400
   60    51    58    75.00000  116.24600
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   52    47    51    65.00000  118.96000
   52    64    75    83.00000  116.90000
   64    52    53    83.00000  123.40000
   64    75    76    35.00000  109.50000
   64    75    77    35.00000  109.50000
   64    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    54    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    65    50.00000  109.50000
   48    54    69    50.00000  109.50000
   54    65    66    37.50000  110.70000
   54    65    67    37.50000  110.70000
   54    65    68    37.50000  110.70000
   54    69    70    37.50000  110.70000
   54    69    71    37.50000  110.70000
   54    69    72    37.50000  110.70000
   65    54    55    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    54    55    37.50000  110.70000
   69    54    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    58    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    58    51  -0.12500  1.0 1.0
   29    33    58    51  -0.12500 -1.0 2.0
   29    33    58    51   0.25000  1.0 3.0
   29    33    58    59  -0.12500  1.0 1.0
   29    33    58    59  -0.12500 -1.0 2.0
   29    33    58    59   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    58    51  -0.12500  1.0 1.0
   37    33    58    51  -0.12500 -1.0 2.0
   37    33    58    51   0.25000  1.0 3.0
   37    33    58    59  -0.12500  1.0 1.0
   37    33    58    59  -0.12500 -1.0 2.0
   37    33    58    59   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    80   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    52   0.09700  1.0 1.0
   37    42    47    52   0.15600 -1.0 2.0
   37    42    47    52  -0.50800  1.0 3.0
   37    44    48    54  -2.26850  1.0 1.0
   37    44    48    54   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    56   3.62500 -1.0 2.0
   42    46    80    79   3.62500 -1.0 2.0
   42    46    80    81   3.62500 -1.0 2.0
   42    47    51    58   7.00000 -1.0 2.0
   42    47    51    60   7.00000 -1.0 2.0
   42    47    52    53  -0.64400  1.0 1.0
   42    47    52    53   0.26850 -1.0 2.0
   42    47    52    64  -0.15000  1.0 1.0
   42    47    52    64   0.89550 -1.0 2.0
   42    47    52    64  -0.06900  1.0 3.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    80   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    52   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    52   0.09700  1.0 1.0
   46    42    47    52   0.15600 -1.0 2.0
   46    42    47    52  -0.50800  1.0 3.0
   46    49    56    57   3.62500 -1.0 2.0
   46    49    56    73   3.62500 -1.0 2.0
   46    80    81    82   3.62500 -1.0 2.0
   49    46    80    79   3.62500 -1.0 2.0
   49    46    80    81   3.62500 -1.0 2.0
   49    56    73    74   3.62500 -1.0 2.0
   49    56   -73    79   3.62500 -1.0 2.0
   50    49    56    57   3.62500 -1.0 2.0
   50    49    56    73   3.62500 -1.0 2.0
   56    73    79    80   3.62500 -1.0 2.0
   56    73    79    83   3.62500 -1.0 2.0
   57    56    73    74   3.62500 -1.0 2.0
   57    56    73    79   3.62500 -1.0 2.0
   73    79   -80    46   3.62500 -1.0 2.0
   73    79    80    81   3.62500 -1.0 2.0
   73    79    83    82   3.62500 -1.0 2.0
   74    73    79    80   3.62500 -1.0 2.0
   74    73    79    83   3.62500 -1.0 2.0
   79    80   -81    82   3.62500 -1.0 2.0
   80    46    49    50   3.62500 -1.0 2.0
   80    46   -49    56   3.62500 -1.0 2.0
   80    79   -83    82   3.62500 -1.0 2.0
   80    81   -82    83   3.62500 -1.0 2.0
   81    82   -83    79   3.62500 -1.0 2.0
   83    79    80    46   3.62500 -1.0 2.0
   83    79   -80    81   3.62500 -1.0 2.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    80   0.18050 -1.0 2.0
   47    51   -58    33  -0.54700  1.0 1.0
   47    51   -58    33   1.23000 -1.0 2.0
   47    51    58    59   1.00000 -1.0 2.0
   47    51    60    61   0.00000  1.0 1.0
   47    51    60    62   0.00000  1.0 1.0
   47    51    60    63   0.00000  1.0 1.0
   47    52    64    75   2.00000 -1.0 2.0
   51    47    52    53   1.00000 -1.0 2.0
   51    47    52    64  -0.56150  1.0 1.0
   51    47    52    64   2.19150 -1.0 2.0
   58    33   -37    42   0.09700  1.0 1.0
   58    33   -37    42   0.15600 -1.0 2.0
   58    33   -37    42  -0.50800  1.0 3.0
   58    33    37    44   0.62150  1.0 1.0
   58    33    37    44   0.42850 -1.0 2.0
   58    33    37    44  -0.68200  1.0 3.0
   58    33    38    39   0.22950  1.0 3.0
   58    33    38    40   0.22950  1.0 3.0
   58    33    38    41   0.22950  1.0 3.0
   58    51    60    61  -0.18050  1.0 3.0
   58    51    60    62  -0.18050  1.0 3.0
   58    51    60    63  -0.18050  1.0 3.0
   60    51    58    33   1.00000 -1.0 2.0
   60    51    58    59   2.40850 -1.0 2.0
   52    47    51    58   7.00000 -1.0 2.0
   52    47    51    60   7.00000 -1.0 2.0
   52    64    75    76   0.08050  1.0 3.0
   52    64    75    77   0.08050  1.0 3.0
   52    64    75    78   0.08050  1.0 3.0
   53    52    64    75   3.00000 -1.0 2.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    54    55   0.08050  1.0 3.0
   44    48    54    65  -0.46850  1.0 1.0
   44    48    54    65   0.09300 -1.0 2.0
   44    48    54    65  -0.12850  1.0 3.0
   44    48    54    69  -0.46850  1.0 1.0
   44    48    54    69   0.09300 -1.0 2.0
   44    48    54    69  -0.12850  1.0 3.0
   45    44    48    54   2.00000 -1.0 2.0
   48    54    65    66   0.23400  1.0 3.0
   48    54    65    67   0.23400  1.0 3.0
   48    54    65    68   0.23400  1.0 3.0
   48    54    69    70   0.23400  1.0 3.0
   48    54    69    71   0.23400  1.0 3.0
   48    54    69    72   0.23400  1.0 3.0
   55    54    65    66   0.15000  1.0 3.0
   55    54    65    67   0.15000  1.0 3.0
   55    54    65    68   0.15000  1.0 3.0
   55    54    69    70   0.15000  1.0 3.0
   55    54    69    71   0.15000  1.0 3.0
   55    54    69    72   0.15000  1.0 3.0
   65    54    69    70   0.15000  1.0 3.0
   65    54    69    71   0.15000  1.0 3.0
   65    54    69    72   0.15000  1.0 3.0
   69    54    65    66   0.15000  1.0 3.0
   69    54    65    67   0.15000  1.0 3.0
   69    54    65    68   0.15000  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    58    51   0.25450  1.0 1.0
   38    33    58    51  -0.61700 -1.0 2.0
   38    33    58    51  -0.23550  1.0 3.0
   38    33    58    59   0.00000  1.0 1.0
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    42    37    44   1.10000 -1.0 2.0
   49    80    46    42   4.00000 -1.0 2.0
   56    50    49    46   1.10000 -1.0 2.0
   73    57    56    49   1.10000 -1.0 2.0
   79    74    73    56   1.10000 -1.0 2.0
   80    83    79    73   4.00000 -1.0 2.0
   79    81    80    46   4.00000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   60    58    51    47   1.10000 -1.0 2.0
   59    51    58    33   1.00000 -1.0 2.0
   47    64    52    53  10.50000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
