* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    163    251     481
    1     0 S   NP   _N1_     1    29.12124    95.17070   -24.64157
    2     1 S   H    _HN1     2     1.02784   111.73628   -96.61596
    3     1 S   H    _H1_     3     1.02951    79.41248     9.07153
    4     1 S   H    _H2_     4     1.02830    28.41140   175.81367
    5     1 S   CT   _CA1     5     1.50108   128.37845   116.81044
    6     5 S   HC   _HA1     6     1.09571   105.21740    85.12976
    7     5 S   CO3  _C1_     7     1.53792   112.42643   -35.14865
    8     7 S   O2Z  _O11     8     1.26372   115.00362   -43.35357
    9     7 S   O2Z  _O12     9     1.26236   114.94411   135.80872
   10     5 S   CT   _CB1    10     1.53081   107.42974  -156.87004
   11    10 S   HC   HB11    11     1.09832   109.40515   -49.72827
   12    10 S   HC   HB12    12     1.09817   110.43499    66.87782
   13    10 S   CT   _CG1    13     1.52997   112.60170  -170.71162
   14    13 S   HC   HG11    14     1.09583   110.60846   -64.66977
   15    13 S   HC   HG12    15     1.09665   109.83636    54.58484
   16    13 S   C    _CD1    16     1.51777   112.21413   175.04746
   17    16 S   O    _OE1    17     1.22740   123.26848     5.30083
   18    16 S   N    _N2_    18     1.38668   111.68684  -174.89240
   19    18 S   H    _HN2    19     1.01587   119.01150     1.69581
   20    18 S   CT1  _CA2    20     1.46079   123.31804   178.25146
   21    20 S   HC   _HA2    21     1.09591   109.29612     0.44323
   22    20 S   C    _C2_    22     1.53516   108.92648  -114.61131
   23    22 S   O    _O2_    23     1.23060   122.19442  -149.70817
   24    20 S   CT   _CB2    32     1.53328   111.76187   122.79854
   25    24 S   HC   HB21    33     1.09651   109.69595    63.02072
   26    24 S   HC   HB22    34     1.09573   110.81572  -179.63416
   27    22 S   N    _N3_    24     1.38306   113.72470    37.85736
   28    27 S   H    _HN3    25     1.01595   119.56015    -3.58217
   29    24 S   S    _SG2    35     1.82907   114.72208   -56.92377
   30    27 S   CT   _CA3    26     1.45283   123.20961   176.98027
   31    30 S   HC   HA31    27     1.09550   107.54282   -63.79148
   32    30 S   HC   HA32    28     1.09556   107.94861    52.64257
   33    29 S   CT   _C21    36     1.83267    99.83982   -63.89099
   34    33 S   HC   _H3_    37     1.09381   107.87757   -50.42016
   35    33 S   HC   _H4_    38     1.09017   106.86672    66.64101
   36    30 S   CO3  _C3_    29     1.52955   114.07328   174.62495
   37    36 S   O2Z  _O31    30     1.26377   116.05400    -0.26393
   38    36 S   O2Z  _O32    31     1.26425   114.41678   179.78694
   39    33 S   CT   _C13    39     1.53878   111.14003  -172.61316
   40    39 S   HC   _H36    40     1.10076   107.46331   -40.94799
   41    39 S   CO4  _C6_    41     1.52895   110.75616    74.14243
   42    41 S   O    _O20    42     1.22415   124.92909    11.44128
   43    39 S   CT   _C14    68     1.56685   115.25676  -159.35452
   44    43 S   HC   _H37    69     1.09722   104.14085   173.06961
   45    41 S   OS   _O23    43     1.36462   109.83023  -168.02138
   46    43 S   CT   _C18    70     1.53681   110.93520    61.14777
   47    46 S   HC   _H40    71     1.09302   112.78869   -72.54150
   48    46 S   HC   _H41    72     1.09310   111.30219   166.17836
   49    46 S   HC   _H42    73     1.09581   110.44829    47.79300
   50    45 S   CT   _C16    44     1.44093   116.47765   176.83096
   51    50 S   HC   _H39    45     1.09582   110.91967    37.61346
   52    50 S   CT   _C10    46     1.52350   108.63278   -87.03393
   53    52 S   HC   _H31    47     1.09659   110.50827   165.88321
   54    52 S   HC   _H32    48     1.09401   113.37723    43.13030
   55    52 S   CT   _C11    49     1.52337   102.18699   -76.60442
   56    55 S   HC   _H33    50     1.09706   109.03046    81.24891
   57    55 S   HC   _H34    51     1.09409   111.66775  -159.32727
   58    55 S   NT   _N19    52     1.46683   104.20427   -39.23434
   59    58 S   CT   _C8_    53     1.47561   114.08243   140.65094
   60    59 S   HC   _H27    54     1.09461   109.31099   113.67096
   61    59 S   HC   _H28    55     1.09551   113.66426    -7.54135
   62    59 S   CM   _C4_    56     1.49378   105.67324  -127.63083
   63    62 S   HC   _H26    57     1.08049   123.79667  -173.14047
   64    62 S   CM   _C5_    58     1.33696   111.14985     6.15925
   65    64 S   CT   _C9_    59     1.48917   127.08466  -175.50739
   66    65 S   HC   _H29    60     1.09695   111.51365    19.31603
   67    65 S   HC   _H30    61     1.09570   109.62899   136.17001
   68    50 S   CT   _C12    84     1.53131   110.95599   161.72922
   69    68 S   HC   _H35    85     1.09783   109.16312  -157.90598
   70    65 S   OS   _O22    62     1.43744   111.40120  -105.41191
   71    70 S   CO4  _C7_    63     1.36641   116.24428    96.11577
   72    71 S   O    _O21    64     1.22613   125.40139    -5.81045
   73    71 S   CT   _C17    65     1.53334   111.09944   172.09980
   74    73 S   CT   _C15    66     1.56675   113.09959    56.95982
   75    74 S   HC   _H38    67     1.09696   106.24628   -66.26271
   76    73 S   CT   _C20    78     1.53574   107.57279   -68.01323
   77    76 S   HC   _H46    79     1.09497   111.65581  -164.28337
   78    76 S   HC   _H47    80     1.09500   111.70018    73.41909
   79    76 S   HC   _H48    81     1.09702   110.77328   -46.47211
   80    73 S   OH   _O24    82     1.42824   106.98219   177.19202
   81    80 S   HO   _H51    83     0.97301   108.15842    57.72614
   82    74 S   CT   _C19    74     1.54008   110.47634   178.62655
   83    82 S   HC   _H43    75     1.09453   112.02057   -55.50495
   84    82 S   HC   _H44    76     1.09012   112.38931  -176.86712
   85    82 S   HC   _H45    77     1.09478   110.79636    64.58888
  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   7   5   4   3
  11   5   4   2   1   1  15   7  10   3  16   8  10   7   3   2
   1  14   8  10   6   5  10   4   3   9   8   5   4   8   3   7
   8   4   3   2   1   6  11   4  12  11   6   6   3   2   1   2
   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    74    43    44    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    50    73    74    75    43    44    46    47    48    49    82  
   41    42    45    74    43    44    46  
   42    45    50    51    52    74    43    44    46    68  
   45    50    43  
   44    46    47    48    49    82    83    84    85    76    80    45    71    73    74    75  
   46    47    48    49    82    73    74    75  
   50    51    52    53    54    55    58    64    68    69  
   47    48    49    82    73    74    75  
   48    49    74  
   49    74  
   74  
   51    52    53    54    55    56    57    58    59    62    64    65    68    69  
   52    53    54    55    58    64    68    69  
   53    54    55    56    57    58    59    64    68    69  
   54    55    56    57    58    68  
   55    56    57    58    68  
   56    57    58    59    60    61    62    64    68    69  
   57    58    59    68  
   58    59    68  
   59    60    61    62    63    64    65    68    69  
   60    61    62    63    64    65    68    69  
   61    62    63    64    68  
   62    63    64    68  
   63    64    65    66    67    70    68    69  
   64    65    68  
   65    66    67    70    71    68    69  
   66    67    70    71    72    73    68    69  
   67    70    71    68  
   70    71    68  
   69    70  
    0  
   71    72    73    74    76    80  
   72    73    74    75    82    76    77    78    79    80    81  
   73    74    76    80  
   74    75    82    83    84    85    76    77    78    79    80    81  
   75    82    83    84    85    76    77    78    79    80    81  
   82    83    84    85    76    80  
   77    78    79    80    81    82  
   78    79    80  
   79    80  
   80  
   81    82  
    0  
   83    84    85  
   84    85  
   85  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    68   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   382.000  1.448
   58    59   382.000  1.448
   58    68   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   317.000  1.510
   64    68   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   320.000  1.410
   70    71   214.000  1.327
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   268.000  1.529
   73    76   268.000  1.529
   73    80   320.000  1.410
   74    75   340.000  1.090
   74    43   268.000  1.529
   74    82   268.000  1.529
   43    44   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   553.000  0.945
   68    69   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    45    81.00000  111.40000
   39    43    74    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    43    46    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    45    50    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    50    51    35.00000  109.50000
   45    50    52    50.00000  109.50000
   45    50    68    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    68    58    56.20000  109.47000
   50    68    64    70.00000  112.02700
   50    68    69    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    56.20000  109.47000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    51.80000  107.20000
   55    58    68    51.80000  107.20000
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    62    75.00000  110.70900
   58    68    64    75.00000  110.70900
   58    68    69    35.00000  109.50000
   59    62    63    35.00000  117.00000
   59    62    64    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    70.00000  124.00000
   62    64    68    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    70    85.00000  110.90400
   64    68    69    35.00000  109.50000
   65    70    71    83.00000  116.90000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   70    71    72    83.00000  123.40000
   70    71    73    81.00000  111.40000
   71    73    74    63.00000  111.10000
   71    73    76    63.00000  111.10000
   71    73    80    90.00000  109.61100
   73    71    72    80.00000  120.40000
   73    74    75    37.50000  110.70000
   73    74    43    58.35000  112.70000
   73    74    82    58.35000  112.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    37.50000  110.70000
   73    80    81    55.00000  108.50000
   74    43    44    37.50000  110.70000
   74    43    46    58.35000  112.70000
   74    82    83    37.50000  110.70000
   74    82    84    37.50000  110.70000
   74    82    85    37.50000  110.70000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    74    75    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    37.50000  110.70000
   46    43    44    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   82    74    75    37.50000  110.70000
   82    74    43    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    73    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    73    74    50.00000  109.50000
   80    73    76    50.00000  109.50000
   68    50    51    37.50000  110.70000
   68    50    52    58.35000  112.70000
   68    58    59    51.80000  107.20000
   68    64    65    65.00000  117.92700
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    45   0.36750  1.0 3.0
   33    39    43    74   0.56750  1.0 1.0
   33    39    43    74  -0.07550 -1.0 2.0
   33    39    43    74   0.20000  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    46   0.56750  1.0 1.0
   33    39    43    46  -0.07550 -1.0 2.0
   33    39    43    46   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    45    50   1.63150  1.0 1.0
   39    41    45    50   2.92000 -1.0 2.0
   39    43    46    47   0.15000  1.0 3.0
   39    43    46    48   0.15000  1.0 3.0
   39    43    46    49   0.15000  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    74   0.15000  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    74  -0.95700  1.0 1.0
   41    39    43    74  -0.18200 -1.0 2.0
   41    39    43    74   0.29450  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    46  -0.95700  1.0 1.0
   41    39    43    46  -0.18200 -1.0 2.0
   41    39    43    46   0.29450  1.0 3.0
   41    45    50    51   0.08050  1.0 3.0
   41    45    50    52  -0.25900  1.0 1.0
   41    45    50    52  -0.47000 -1.0 2.0
   41    45    50    52   0.11750  1.0 3.0
   41    45    50    68  -0.25900  1.0 1.0
   41    45    50    68  -0.47000 -1.0 2.0
   41    45    50    68   0.11750  1.0 3.0
   42    41    45    50   3.00000 -1.0 2.0
   45    50    52    53   0.23400  1.0 3.0
   45    50    52    54   0.23400  1.0 3.0
   45    50    52    55   0.62750  1.0 1.0
   45    50    52    55  -0.30950 -1.0 2.0
   45    50    52    55   0.27300  1.0 3.0
   45    50    68    58   1.74050  1.0 1.0
   45    50    68    64   0.61850  1.0 1.0
   45    50    68    64  -0.22750 -1.0 2.0
   45    50    68    64   0.15300  1.0 3.0
   45    50    68    69   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.53400  1.0 1.0
   50    52   -55    58  -0.09950 -1.0 2.0
   50    52   -55    58   0.05700  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    68    58   0.15000  1.0 3.0
   51    50    68    64   0.15000  1.0 3.0
   51    50    68    69   0.15000  1.0 3.0
   52    50   -68    58   1.53400  1.0 1.0
   52    50   -68    58  -0.09950 -1.0 2.0
   52    50   -68    58   0.05700  1.0 3.0
   52    50    68    64   0.34400  1.0 1.0
   52    50    68    64   0.09450 -1.0 2.0
   52    50    68    64   0.11100  1.0 3.0
   52    50    68    69   0.15000  1.0 3.0
   52    55    58    59   0.23450  1.0 1.0
   52    55    58    59   0.02050 -1.0 2.0
   52    55    58    59   0.25250  1.0 3.0
   52    55   -58    68   0.23450  1.0 1.0
   52    55   -58    68   0.02050 -1.0 2.0
   52    55   -58    68   0.25250  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    59    60   0.28000  1.0 3.0
   55    58    59    61   0.28000  1.0 3.0
   55    58    59    62  -0.60800  1.0 1.0
   55    58    59    62   1.10050 -1.0 2.0
   55    58    59    62   0.47000  1.0 3.0
   55    58   -68    50   0.23450  1.0 1.0
   55    58   -68    50   0.02050 -1.0 2.0
   55    58   -68    50   0.25250  1.0 3.0
   55    58    68    64  -0.60800  1.0 1.0
   55    58    68    64   1.10050 -1.0 2.0
   55    58    68    64   0.47000  1.0 3.0
   55    58    68    69   0.28000  1.0 3.0
   56    55    58    59   0.28000  1.0 3.0
   56    55    58    68   0.28000  1.0 3.0
   57    55    58    59   0.28000  1.0 3.0
   57    55    58    68   0.28000  1.0 3.0
   58    59    62    63   0.00000  1.0 1.0
   58    59   -62    64   0.90200  1.0 1.0
   58    59   -62    64   0.57900 -1.0 2.0
   58    59   -62    64  -0.62100  1.0 3.0
   59    58    68    50   0.23450  1.0 1.0
   59    58    68    50   0.02050 -1.0 2.0
   59    58    68    50   0.25250  1.0 3.0
   59    58   -68    64  -0.60800  1.0 1.0
   59    58   -68    64   1.10050 -1.0 2.0
   59    58   -68    64   0.47000  1.0 3.0
   59    58    68    69   0.28000  1.0 3.0
   59    62    64    65   7.00000 -1.0 2.0
   59    62   -64    68   7.00000 -1.0 2.0
   60    59    62    63   0.33100  1.0 3.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.33100  1.0 3.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    65    66   0.00000  1.0 1.0
   62    64    65    67   0.00000  1.0 1.0
   62    64    65    70   0.39000  1.0 1.0
   62    64    65    70  -0.05800 -1.0 2.0
   62    64    65    70  -0.55150  1.0 3.0
   62    64    68    50   0.09850  1.0 1.0
   62    64    68    50   0.15250 -1.0 2.0
   62    64    68    50  -0.50650  1.0 3.0
   62    64   -68    58   0.90200  1.0 1.0
   62    64   -68    58   0.57900 -1.0 2.0
   62    64   -68    58  -0.62100  1.0 3.0
   62    64    68    69   0.00000  1.0 1.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    68   7.00000 -1.0 2.0
   64    65    70    71  -0.82050  1.0 1.0
   64    65    70    71   0.00600 -1.0 2.0
   64    65    70    71   0.04400  1.0 3.0
   65    64    68    50   0.46850  1.0 1.0
   65    64    68    50   0.08550 -1.0 2.0
   65    64    68    50   0.09800  1.0 3.0
   65    64    68    58   0.52100  1.0 1.0
   65    64    68    58  -0.20350 -1.0 2.0
   65    64    68    58   0.29750  1.0 3.0
   65    64    68    69   0.34800  1.0 3.0
   65    70    71    72   3.00000 -1.0 2.0
   65    70    71    73   1.63150  1.0 1.0
   65    70    71    73   2.92000 -1.0 2.0
   66    65    70    71   0.08050  1.0 3.0
   67    65    70    71   0.08050  1.0 3.0
   70    71    73    74   0.36750  1.0 3.0
   70    71    73    76   0.36750  1.0 3.0
   70    71    73    80   0.30750  1.0 1.0
   70    71    73    80   1.13850 -1.0 2.0
   70    71    73    80   0.38850  1.0 3.0
   71    73    74    75  -0.11250  1.0 3.0
   71    73    74    43  -0.95700  1.0 1.0
   71    73    74    43  -0.18200 -1.0 2.0
   71    73    74    43   0.29450  1.0 3.0
   71    73    74    82  -0.95700  1.0 1.0
   71    73    74    82  -0.18200 -1.0 2.0
   71    73    74    82   0.29450  1.0 3.0
   71    73    76    77  -0.11250  1.0 3.0
   71    73    76    78  -0.11250  1.0 3.0
   71    73    76    79  -0.11250  1.0 3.0
   71    73    80    81   0.91850  1.0 1.0
   71    73    80    81   0.57950  1.0 3.0
   72    71    73    74   0.30150 -1.0 2.0
   72    71    73    76   0.30150 -1.0 2.0
   72    71    73    80   0.30150 -1.0 2.0
   73    74    43    39   0.56750  1.0 1.0
   73    74    43    39  -0.07550 -1.0 2.0
   73    74    43    39   0.20000  1.0 3.0
   73    74    43    44   0.15000  1.0 3.0
   73    74    43    46   0.56750  1.0 1.0
   73    74    43    46  -0.07550 -1.0 2.0
   73    74    43    46   0.20000  1.0 3.0
   73    74    82    83   0.15000  1.0 3.0
   73    74    82    84   0.15000  1.0 3.0
   73    74    82    85   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   74    73    80    81  -0.11600  1.0 1.0
   74    73    80    81  -0.09450 -1.0 2.0
   74    73    80    81   0.21250  1.0 3.0
   74    43    46    47   0.15000  1.0 3.0
   74    43    46    48   0.15000  1.0 3.0
   74    43    46    49   0.15000  1.0 3.0
   75    74    43    39   0.15000  1.0 3.0
   75    74    43    44   0.15000  1.0 3.0
   75    74    43    46   0.15000  1.0 3.0
   75    74    82    83   0.15000  1.0 3.0
   75    74    82    84   0.15000  1.0 3.0
   75    74    82    85   0.15000  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    45   0.36750  1.0 3.0
   43    74    82    83   0.15000  1.0 3.0
   43    74    82    84   0.15000  1.0 3.0
   43    74    82    85   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   82    74    43    39   0.56750  1.0 1.0
   82    74    43    39  -0.07550 -1.0 2.0
   82    74    43    39   0.20000  1.0 3.0
   82    74    43    44   0.15000  1.0 3.0
   82    74    43    46   0.56750  1.0 1.0
   82    74    43    46  -0.07550 -1.0 2.0
   82    74    43    46   0.20000  1.0 3.0
   76    73    74    75   0.15000  1.0 3.0
   76    73    74    43   0.56750  1.0 1.0
   76    73    74    43  -0.07550 -1.0 2.0
   76    73    74    43   0.20000  1.0 3.0
   76    73    74    82   0.56750  1.0 1.0
   76    73    74    82  -0.07550 -1.0 2.0
   76    73    74    82   0.20000  1.0 3.0
   76    73    80    81  -0.11600  1.0 1.0
   76    73    80    81  -0.09450 -1.0 2.0
   76    73    80    81   0.21250  1.0 3.0
   80    73    74    75   0.23400  1.0 3.0
   80    73    74    43   0.86500  1.0 1.0
   80    73    74    43  -0.17500 -1.0 2.0
   80    73    74    43   0.20800  1.0 3.0
   80    73    74    82   0.86500  1.0 1.0
   80    73    74    82  -0.17500 -1.0 2.0
   80    73    74    82   0.20800  1.0 3.0
   80    73    76    77   0.23400  1.0 3.0
   80    73    76    78   0.23400  1.0 3.0
   80    73    76    79   0.23400  1.0 3.0
   68    50    52    53   0.15000  1.0 3.0
   68    50    52    54   0.15000  1.0 3.0
   68    50   -52    55   0.56750  1.0 1.0
   68    50   -52    55  -0.07550 -1.0 2.0
   68    50   -52    55   0.20000  1.0 3.0
   68    58    59    60   0.28000  1.0 3.0
   68    58    59    61   0.28000  1.0 3.0
   68    58   -59    62  -0.60800  1.0 1.0
   68    58   -59    62   1.10050 -1.0 2.0
   68    58   -59    62   0.47000  1.0 3.0
   68    64    65    66   0.34800  1.0 3.0
   68    64    65    67   0.34800  1.0 3.0
   68    64    65    70   0.09700  1.0 1.0
   68    64    65    70   0.15600 -1.0 2.0
   68    64    65    70  -0.50800  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
   38    30    36    37  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
   59    63    62    64   1.10000 -1.0 2.0
   65    68    64    62   1.10000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
END
