* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    153    238     449
    1     0 S   NP   _N1_     1    28.77559    98.44768   -20.49012
    2     1 S   H    _HN1     2     1.02777   104.66988  -127.09649
    3     1 S   H    _H1_     3     1.02957    67.78978   -22.95440
    4     1 S   H    _H2_     4     1.02836    42.76602   132.26232
    5     1 S   CT   _CA1     5     1.50127   140.88507    72.46050
    6     5 S   HC   _HA1     6     1.09575   105.21499    98.05110
    7     5 S   CO3  _C1_     7     1.53782   112.35689   -22.13381
    8     7 S   O2Z  _O11     8     1.26364   114.99721   -44.11140
    9     7 S   O2Z  _O12     9     1.26235   114.92616   134.97896
   10     5 S   CT   _CB1    10     1.53095   107.42128  -144.05214
   11    10 S   HC   HB11    11     1.09827   109.32021   -50.58987
   12    10 S   HC   HB12    12     1.09815   110.43322    65.96193
   13    10 S   CT   _CG1    13     1.53017   112.67566  -171.66132
   14    13 S   HC   HG11    14     1.09595   110.49402   -64.55591
   15    13 S   HC   HG12    15     1.09659   109.91886    54.64387
   16    13 S   C    _CD1    16     1.51843   112.31064   175.00582
   17    16 S   O    _OE1    17     1.22750   123.29470     0.58283
   18    16 S   N    _N2_    18     1.38535   111.70297  -179.42122
   19    18 S   H    _HN2    19     1.01567   119.04749     4.33459
   20    18 S   CT1  _CA2    20     1.45876   122.92981   177.75267
   21    20 S   HC   _HA2    21     1.09709   108.99324    23.86180
   22    20 S   C    _C2_    22     1.52902   106.73998   -93.37335
   23    22 S   O    _O2_    23     1.23003   122.97509   -29.13766
   24    20 S   CT   _CB2    32     1.53077   112.07719   147.09971
   25    24 S   HC   HB21    33     1.09560   109.74821    54.45635
   26    24 S   HC   HB22    34     1.09484   110.29117   173.32450
   27    22 S   N    _N3_    24     1.38471   112.65987   153.41513
   28    27 S   H    _HN3    25     1.01654   120.38923    -1.02010
   29    24 S   S    _SG2    35     1.82872   111.18249   -66.35755
   30    27 S   CT   _CA3    26     1.45360   122.41009   178.72912
   31    30 S   HC   HA31    27     1.09567   107.51822   -62.85989
   32    30 S   HC   HA32    28     1.09574   107.88056    53.44592
   33    29 S   CT   _C14    36     1.83891    99.44015   164.99266
   34    33 S   HC   _H7_    37     1.09444   105.18705   -47.25328
   35    30 S   CO3  _C3_    29     1.52890   114.41215   175.50194
   36    35 S   O2Z  _O31    30     1.26327   116.09803     1.37686
   37    35 S   O2Z  _O32    31     1.26455   114.39347  -178.58169
   38    33 S   CA   _C15    38     1.52207   111.33845  -162.57836
   39    33 S   CM   _C13    49     1.51333   110.15067    72.23860
   40    39 S   HC   _H17    50     1.09119   115.67410    71.75202
   41    38 S   CA   _C16    39     1.40498   119.47897   120.07105
   42    41 S   HA   _H18    40     1.08783   120.40492    -0.39958
   43    39 S   CMA  _C12    51     1.35594   126.68150  -109.67302
   44    43 S   OM   _O34    52     1.26707   124.07822  -178.98664
   45    41 S   CA   _C17    41     1.39630   120.80528   179.53103
   46    45 S   HA   _H19    42     1.08623   119.89474   179.95154
   47    43 S   OS   _O33    53     1.41061   111.70367     3.93029
   48    45 S   CA   _C18    43     1.39270   120.09128    -0.12354
   49    48 S   HA   _H20    44     1.08600   120.05482  -179.97202
   50    47 S   CT   _C10    54     1.43347   116.66325  -135.92796
   51    50 S   HC   _H6_    55     1.09803   109.19414   -47.96936
   52    48 S   CA   _C19    45     1.39280   119.88722    -0.06853
   53    52 S   HA   _H21    46     1.08624   119.99437  -179.85735
   54    50 S   CT   _C11    56     1.54192   111.89187    72.48009
   55    54 S   HC   _H15    57     1.09787   109.85495    40.70111
   56    54 S   HC   _H16    58     1.09708   109.36224   -74.59535
   57    50 S   CT   _C9_    69     1.54951   108.87264  -163.75056
   58    57 S   HC   _H5_    70     1.09971   106.35049    76.54814
   59    38 S   CA   _C20    47     1.40538   122.17527   -60.75405
   60    59 S   HA   _H22    48     1.08739   120.53393     0.43521
   61    54 S   CT   _C5_    59     1.54173   112.52852   163.42875
   62    61 S   HC   _H3_    60     1.09578   108.90824   178.14354
   63    57 S   CO4  _C21    71     1.52698   112.65496   -39.43327
   64    63 S   O    _O35    72     1.22405   125.27714   -38.96790
   65    61 S   CT   _C6_    61     1.53274   112.09315    53.53731
   66    65 S   HC   _H11    62     1.09649   110.66257   152.94410
   67    65 S   HC   _H12    63     1.09487   112.78195    32.55600
   68    63 S   OS   _O36    73     1.36664   109.39206   141.91335
   69    65 S   CT   _C7_    64     1.53150   104.62520   -89.32165
   70    69 S   HC   _H13    65     1.09486   111.88531   123.16577
   71    69 S   HC   _H14    66     1.09655   109.44438  -117.94891
   72    68 S   CT   _C22    74     1.43048   115.20927  -179.16725
   73    72 S   HC   _H23    75     1.09323   108.11800   174.52307
   74    72 S   HC   _H24    76     1.09432   110.62638    55.73039
   75    72 S   HC   _H25    77     1.09400   110.00289   -66.82988
   76    69 S   CT   _C8_    67     1.53440   104.66318     0.63273
   77    76 S   HC   _H4_    68     1.09649   111.89390  -147.88348
   78    61 S   NT   _N4_    78     1.47295   106.49237   -59.89789
   79    78 S   CT   _C4_    79     1.46021   112.98852  -161.74230
   80    79 S   HC   _H8_    80     1.09557   110.00213  -179.49954
   81    79 S   HC   _H9_    81     1.09557   109.99564    63.35465
   82    79 S   HC   _H10    82     1.09472   113.97338   -58.05212
  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   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   6   3  10   5
   3  16   8   3   2  14   6   5  14   7   1   1  14   7  10   3
   9   6   5   5   6   4   3   3   2   1   1   6   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    52    59    60    39    40    43    44    47  
   38    41    59    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    52    53    59    60    39    40    43  
   40    43    44    47    50    41    59  
   43    44    47  
   42    45    46    48    49    52    59    60  
   45    46    48    59  
   44    47    50    51    54    57  
   47    50  
   46    48    49    52    53    59  
   48    49    52  
   50    51    54    55    56    61    76    57    58    63  
   49    52    53    59    60  
   52    53    59  
   51    54    55    56    61    62    65    69    76    77    57    58    63    64    68    78  
   54    55    56    61    76    57    58    63  
   53    59    60  
   59    60  
   55    56    61    62    65    66    67    69    76    57    58    63    78    79  
   56    61    62    65    57    78  
   61    62    65    57    78  
   58    63    64    68    72    78    79    61    65    69    70    71    76    77  
   63    64    68    78    69    76    77  
   60  
    0  
   62    65    66    67    69    70    71    76    77    78    79    80    81    82  
   65    66    67    69    76    78    79  
   64    68    72    73    74    75    78    69    76    77  
   68    72    76  
   66    67    69    70    71    76    77    78    79  
   67    69    70    71    76    78  
   69    70    71    76    78  
   72    73    74    75    76  
   70    71    76    77    78    79  
   71    76    77    78  
   76    77    78  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81    82  
   78    79  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.170000   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   79   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0150   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    59   469.000  1.400
   59    60   367.000  1.080
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    78   382.000  1.448
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    57   268.000  1.529
   76    78   382.000  1.448
   57    58   340.000  1.090
   57    63   317.000  1.522
   63    64   570.000  1.229
   63    68   214.000  1.327
   68    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   78    79   382.000  1.448
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    59    52    63.00000  120.00000
   38    59    60    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    52    63.00000  120.00000
   48    45    46    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    59    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    59    60    35.00000  120.00000
   59    38    41    63.00000  120.00000
   59    52    53    35.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    50    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    50    51    35.00000  109.50000
   47    50    54    50.00000  109.50000
   47    50    57    50.00000  109.50000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    61    58.35000  112.70000
   50    57    76    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    63    63.00000  111.10000
   54    50    51    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    65    58.35000  112.70000
   54    61    78    56.20000  109.47000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    69    58.35000  112.70000
   61    78    76    51.80000  107.20000
   61    78    79    51.80000  107.20000
   65    61    62    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    76    58.35000  112.70000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    57    58.35000  112.70000
   69    76    78    56.20000  109.47000
   71    69    70    33.00000  107.80000
   76    69    70    37.50000  110.70000
   76    69    71    37.50000  110.70000
   76    57    58    37.50000  110.70000
   76    57    63    63.00000  111.10000
   76    78    79    51.80000  107.20000
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    76    77    37.50000  110.70000
   57    63    64    80.00000  120.40000
   57    63    68    81.00000  111.40000
   63    57    58    35.00000  109.50000
   63    68    72    83.00000  116.90000
   68    63    64    83.00000  123.40000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   78    61    62    35.00000  109.50000
   78    61    65    56.20000  109.47000
   78    76    77    35.00000  109.50000
   78    76    57    56.20000  109.47000
   78    79    80    35.00000  109.50000
   78    79    81    35.00000  109.50000
   78    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    59    52   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    59    52   3.62500 -1.0 2.0
   41    38    59    60   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45   -48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    52    53   3.62500 -1.0 2.0
   45    48    52    59   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    52   -59    38   3.62500 -1.0 2.0
   48    52    59    60   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    59   3.62500 -1.0 2.0
   53    52    59    38   3.62500 -1.0 2.0
   53    52    59    60   3.62500 -1.0 2.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   0.18050 -1.0 2.0
   39    43    47    50  -2.26850  1.0 1.0
   39    43    47    50   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    50    51   0.08050  1.0 3.0
   43    47    50    54  -0.46850  1.0 1.0
   43    47    50    54   0.09300 -1.0 2.0
   43    47    50    54  -0.12850  1.0 3.0
   43    47    50    57  -0.46850  1.0 1.0
   43    47    50    57   0.09300 -1.0 2.0
   43    47    50    57  -0.12850  1.0 3.0
   44    43    47    50   2.00000 -1.0 2.0
   47    50    54    55   0.23400  1.0 3.0
   47    50    54    56   0.23400  1.0 3.0
   47    50    54    61   0.62750  1.0 1.0
   47    50    54    61  -0.30950 -1.0 2.0
   47    50    54    61   0.27300  1.0 3.0
   47    50    57    76   0.62750  1.0 1.0
   47    50    57    76  -0.30950 -1.0 2.0
   47    50    57    76   0.27300  1.0 3.0
   47    50    57    58   0.23400  1.0 3.0
   47    50    57    63  -0.09450  1.0 1.0
   47    50    57    63  -1.12950 -1.0 2.0
   47    50    57    63   0.54000  1.0 3.0
   50    54    61    62   0.15000  1.0 3.0
   50    54    61    65   0.56750  1.0 1.0
   50    54    61    65  -0.07550 -1.0 2.0
   50    54    61    65   0.20000  1.0 3.0
   50    54    61    78   1.53400  1.0 1.0
   50    54    61    78  -0.09950 -1.0 2.0
   50    54    61    78   0.05700  1.0 3.0
   50    57    63    64   0.30150 -1.0 2.0
   50    57    63    68   0.36750  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    61   0.15000  1.0 3.0
   51    50    57    76   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    63  -0.11250  1.0 3.0
   54    50    57    76   0.56750  1.0 1.0
   54    50    57    76  -0.07550 -1.0 2.0
   54    50    57    76   0.20000  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    63  -0.95700  1.0 1.0
   54    50    57    63  -0.18200 -1.0 2.0
   54    50    57    63   0.29450  1.0 3.0
   54    61    65    66   0.15000  1.0 3.0
   54    61    65    67   0.15000  1.0 3.0
   54    61    65    69   0.56750  1.0 1.0
   54    61    65    69  -0.07550 -1.0 2.0
   54    61    65    69   0.20000  1.0 3.0
   54    61   -78    76   0.23450  1.0 1.0
   54    61   -78    76   0.02050 -1.0 2.0
   54    61   -78    76   0.25250  1.0 3.0
   54    61    78    79   0.58650  1.0 1.0
   54    61    78    79   0.12600 -1.0 2.0
   54    61    78    79   0.33350  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    65   0.15000  1.0 3.0
   55    54    61    78   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    65   0.15000  1.0 3.0
   56    54    61    78   0.15000  1.0 3.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    71   0.15000  1.0 3.0
   61    65   -69    76   0.56750  1.0 1.0
   61    65   -69    76  -0.07550 -1.0 2.0
   61    65   -69    76   0.20000  1.0 3.0
   61    78    79    80   0.28000  1.0 3.0
   61    78    79    81   0.28000  1.0 3.0
   61    78    79    82   0.28000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    69   0.15000  1.0 3.0
   62    61    78    76   0.28000  1.0 3.0
   62    61    78    79   0.28000  1.0 3.0
   65    61   -78    76   0.23450  1.0 1.0
   65    61   -78    76   0.02050 -1.0 2.0
   65    61   -78    76   0.25250  1.0 3.0
   65    61    78    79   0.58650  1.0 1.0
   65    61    78    79   0.12600 -1.0 2.0
   65    61    78    79   0.33350  1.0 3.0
   65    69    76    77   0.15000  1.0 3.0
   65    69    76    57   0.56750  1.0 1.0
   65    69    76    57  -0.07550 -1.0 2.0
   65    69    76    57   0.20000  1.0 3.0
   65    69   -76    78   1.53400  1.0 1.0
   65    69   -76    78  -0.09950 -1.0 2.0
   65    69   -76    78   0.05700  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    76   0.15000  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    71   0.15000  1.0 3.0
   67    65    69    76   0.15000  1.0 3.0
   69    76    57    50   0.56750  1.0 1.0
   69    76    57    50  -0.07550 -1.0 2.0
   69    76    57    50   0.20000  1.0 3.0
   69    76    57    58   0.15000  1.0 3.0
   69    76    57    63  -0.95700  1.0 1.0
   69    76    57    63  -0.18200 -1.0 2.0
   69    76    57    63   0.29450  1.0 3.0
   69    76   -78    61   0.23450  1.0 1.0
   69    76   -78    61   0.02050 -1.0 2.0
   69    76   -78    61   0.25250  1.0 3.0
   69    76    78    79   0.58650  1.0 1.0
   69    76    78    79   0.12600 -1.0 2.0
   69    76    78    79   0.33350  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    57   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   71    69    76    77   0.15000  1.0 3.0
   71    69    76    57   0.15000  1.0 3.0
   71    69    76    78   0.15000  1.0 3.0
   76    57    63    64   0.30150 -1.0 2.0
   76    57    63    68   0.36750  1.0 3.0
   76    78    79    80   0.28000  1.0 3.0
   76    78    79    81   0.28000  1.0 3.0
   76    78    79    82   0.28000  1.0 3.0
   77    76    57    50   0.15000  1.0 3.0
   77    76    57    58   0.15000  1.0 3.0
   77    76    57    63  -0.11250  1.0 3.0
   77    76    78    61   0.28000  1.0 3.0
   77    76    78    79   0.28000  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    61   0.56750  1.0 1.0
   57    50    54    61  -0.07550 -1.0 2.0
   57    50    54    61   0.20000  1.0 3.0
   57    76   -78    61   0.23450  1.0 1.0
   57    76   -78    61   0.02050 -1.0 2.0
   57    76   -78    61   0.25250  1.0 3.0
   57    76    78    79   0.58650  1.0 1.0
   57    76    78    79   0.12600 -1.0 2.0
   57    76    78    79   0.33350  1.0 3.0
   57    63    68    72   1.63150  1.0 1.0
   57    63    68    72   2.92000 -1.0 2.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    68   0.00000  1.0 1.0
   63    68    72    73   0.08050  1.0 3.0
   63    68    72    74   0.08050  1.0 3.0
   63    68    72    75   0.08050  1.0 3.0
   64    63    68    72   3.00000 -1.0 2.0
   78    61    65    66   0.15000  1.0 3.0
   78    61    65    67   0.15000  1.0 3.0
   78    61   -65    69   1.53400  1.0 1.0
   78    61   -65    69  -0.09950 -1.0 2.0
   78    61   -65    69   0.05700  1.0 3.0
   78    76   -57    50   1.53400  1.0 1.0
   78    76   -57    50  -0.09950 -1.0 2.0
   78    76   -57    50   0.05700  1.0 3.0
   78    76    57    58   0.15000  1.0 3.0
   78    76    57    63  -3.56550  1.0 1.0
   78    76    57    63  -0.67500 -1.0 2.0
   78    76    57    63   1.11300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    59    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   52    49    48    45   1.10000 -1.0 2.0
   59    53    52    48   1.10000 -1.0 2.0
   52    60    59    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   57    68    63    64  10.50000 -1.0 2.0
END
