* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    164    253     471
    1     0 S   NP   _N1_     1    28.81740    96.51352   -25.70704
    2     1 S   H    _HN1     2     1.02788   116.04067   -83.58028
    3     1 S   H    _H1_     3     1.02949    68.38939    16.97107
    4     1 S   H    _H2_     4     1.02829    38.97992  -170.09935
    5     1 S   CT   _CA1     5     1.50087   129.21809   116.25091
    6     5 S   HC   _HA1     6     1.09582   105.19515    99.40158
    7     5 S   CO3  _C1_     7     1.53781   112.46039   -20.74341
    8     7 S   O2Z  _O11     8     1.26358   115.02217   -44.55663
    9     7 S   O2Z  _O12     9     1.26244   114.91875   134.56872
   10     5 S   CT   _CB1    10     1.53086   107.41466  -142.76669
   11    10 S   HC   HB11    11     1.09828   109.31435   -51.30490
   12    10 S   HC   HB12    12     1.09810   110.49514    65.30815
   13    10 S   CT   _CG1    13     1.52935   112.51885  -172.34501
   14    13 S   HC   HG11    14     1.09570   110.40710   -66.92640
   15    13 S   HC   HG12    15     1.09665   109.83956    52.33567
   16    13 S   C    _CD1    16     1.51723   112.39188   173.00047
   17    16 S   O    _OE1    17     1.22724   123.26699     7.95387
   18    16 S   N    _N2_    18     1.38684   111.65074  -172.31962
   19    18 S   H    _HN2    19     1.01565   118.97295     2.14722
   20    18 S   CT1  _CA2    20     1.46212   123.34067   178.25034
   21    20 S   HC   _HA2    21     1.09728   109.31523     3.49687
   22    20 S   C    _C2_    22     1.53528   108.75035  -112.15835
   23    22 S   O    _O2_    23     1.23065   122.21483  -148.63826
   24    20 S   CT   _CB2    32     1.53305   111.61056   125.41347
   25    24 S   HC   HB21    33     1.09610   110.05665    58.23430
   26    24 S   HC   HB22    34     1.09526   110.34149   177.37490
   27    22 S   N    _N3_    24     1.38300   113.76872    38.69933
   28    27 S   H    _HN3    25     1.01579   119.58431    -3.08451
   29    24 S   S    _SG2    35     1.82491   111.66822   -62.45789
   30    27 S   CT   _CA3    26     1.45282   123.24221   177.28142
   31    30 S   HC   HA31    27     1.09548   107.49333   -65.33967
   32    30 S   HC   HA32    28     1.09558   108.01499    51.11427
   33    29 S   CT   _C23    36     1.82585    98.84056   179.38008
   34    33 S   HC   _H3_    37     1.09287   107.86543   -44.36964
   35    33 S   HC   _H4_    38     1.09549   108.30118    71.90554
   36    30 S   CO3  _C3_    29     1.52965   114.05807   173.14019
   37    36 S   O2Z  _O31    30     1.26377   116.06709    -0.16902
   38    36 S   O2Z  _O32    31     1.26426   114.41309   179.89165
   39    33 S   CT   _C14    39     1.53316   110.31970  -166.03630
   40    39 S   HC   _H36    40     1.09781   112.75952    32.87435
   41    39 S   CO4  _C7_    41     1.50965   111.30315   -87.99918
   42    41 S   O    _O22    42     1.22116   126.23939    42.33461
   43    41 S   OS   _O25    43     1.36144   109.94227  -138.70012
   44    43 S   CT   _C16    44     1.43624   110.38452    -3.48032
   45    44 S   HC   _H38    45     1.09504   106.81345   -93.97604
   46    39 S   CT   _C15    46     1.54201   112.75943   157.56749
   47    46 S   HC   _H37    47     1.09927   107.81880    34.79314
   48    44 S   C3T  _C17    62     1.49392   107.91960   145.40195
   49    48 S   HC   _H39    63     1.08211   112.64638   -80.73390
   50    46 S   CT   _C18    48     1.56248   113.85563   -86.39305
   51    50 S   HC   _H40    49     1.09700   108.83650   -87.50239
   52    79 S   O3T  _O26    64     1.43511   115.88776  -140.95867
   53    50 S   CT   _C11    50     1.54916   114.75389   148.05028
   54    53 S   HC   _H31    51     1.09798   109.07714   -48.78275
   55    53 S   HC   _H32    52     1.09802   109.60859  -162.74427
   56    50 S   OS   _O27    72     1.45293   108.31421    30.92447
   57    53 S   CM   _C5_    53     1.47965   114.23990    75.44556
   58    56 S   CO4  _C10    73     1.35926   118.42886  -143.23656
   59    58 S   O    _O23    74     1.21833   126.85269    -0.06853
   60    57 S   CM   _C4_    54     1.33072   129.33914  -106.74104
   61    60 S   HC   _H29    55     1.08107   124.73463    -2.23843
   62    58 S   CM   _C8_    75     1.48276   106.87371  -178.82031
   63    62 S   HC   _H30    76     1.08779   115.00871    20.82675
   64    60 S   CT   _C13    56     1.47986   110.51048   167.07022
   65    64 S   HC   _H35    57     1.09460   111.22654   129.45445
   66    62 S   CM   _C9_    77     1.34524   125.66585  -160.68820
   67    64 S   CT   _C12    58     1.54389   112.52993  -105.44333
   68    67 S   HC   _H33    59     1.09661   109.13625   175.64981
   69    67 S   HC   _H34    60     1.09768   109.05627   -68.03110
   70    64 S   OS   _O24    69     1.43339   103.48289    13.25876
   71    66 S   CT   _C20    78     1.50711   119.80907  -176.65725
   72    71 S   HC   _H41    79     1.09499   110.10769   119.19542
   73    71 S   HC   _H42    80     1.09521   112.46392    -0.89831
   74    71 S   HC   _H43    81     1.09382   110.46094  -121.08620
   75    66 S   CT   _C21    82     1.50324   126.18665     3.80529
   76    75 S   HC   _H44    83     1.09554   110.08954   133.62514
   77    75 S   HC   _H45    84     1.09154   113.57307    14.82582
   78    75 S   HC   _H46    85     1.09454   110.15579  -107.11676
   79    67 S   C3T  _C19    61     1.51992   113.15144    54.44889
   80    57 S   CO4  _C6_    70     1.46885   124.18457    71.47867
   81    80 S   O    _O21    71     1.21828   125.67229     6.23332
   82    79 S   CT   _C22    65     1.50324   117.35831    84.38649
   83    82 S   HC   _H47    66     1.09585   111.69689   150.21119
   84    82 S   HC   _H48    67     1.09471   111.05062    30.81692
   85    82 S   HC   _H49    68     1.09244   111.20295   -89.73539
  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  13   7   8   3   9  13   7  13   5  12
   4  11   6   9  11   5   4   6   8   6   3  10   5  10   3   9
   6   8   9   4   3   3   7   3   2   1   3   2   1   1   4   1
   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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    53    48    56  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    79    48    49    52  
   45    46    47    50    51    53    67    79    48    49    52    82    56  
   46    47    50    79    48    49    52  
   47    50    51    53    54    55    57    79    48    49    52    56    58  
   50    51    53    48    56  
   49    52    82    83    84    85    50    64    67    68    69    79  
   52    82    67    79  
   51    53    54    55    57    60    80    56    58    59    62  
   53    54    55    57    56    58  
   82    83    84    85    64    67    68    69    79  
   54    55    57    60    61    64    70    80    81    56    58  
   55    57    60    80    56  
   57    60    80    56  
   58    59    62    63    66    57  
   60    61    64    65    67    70    80    81  
   59    62    63    66    71    75  
   62    63    66  
   61    64    65    67    68    69    79    70    80    81  
   64    65    67    70    80  
   63    66    71    72    73    74    75    76    77    78  
   66    71    75  
   65    67    68    69    79    82    70    80    81  
   67    68    69    79    70    80  
   71    72    73    74    75    76    77    78  
   68    69    79    82    83    84    85    70    80  
   69    79    82    70  
   79    82    70  
   80    81    79  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   82    83    84    85  
   81  
    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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   549.000  1.340
   57    80   320.000  1.462
   60    61   340.000  1.080
   60    64   317.000  1.510
   64    65   340.000  1.090
   64    67   268.000  1.529
   64    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    79   275.000  1.510
   79    48   260.000  1.509
   79    52   335.000  1.432
   79    82   275.000  1.510
   48    49   340.000  1.088
   48    52   335.000  1.432
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   70    80   214.000  1.327
   80    81   570.000  1.229
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    62   320.000  1.462
   62    63   340.000  1.080
   62    66   549.000  1.340
   66    71   317.000  1.510
   66    75   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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    46    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    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    79    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    52    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    70.00000  112.02700
   50    56    58    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    57    60    70.00000  124.00000
   53    57    80    65.00000  116.34900
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  120.00000
   57    60    64    70.00000  124.00000
   57    80    70    90.00000  111.29400
   57    80    81    80.00000  123.72100
   60    64    65    35.00000  109.50000
   60    64    67    70.00000  112.02700
   60    64    70    85.00000  110.90400
   64    60    61    35.00000  117.00000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    79    70.00000  112.37300
   64    70    80    83.00000  116.90000
   67    64    65    37.50000  110.70000
   67    79    48    60.00000  120.94000
   67    79    52    80.00000  116.47100
   67    79    82    58.35000  112.70000
   69    67    68    33.00000  107.80000
   79    67    68    45.00000  109.38400
   79    67    69    45.00000  109.38400
   79    48    49    37.50000  117.20000
   79    48    52    15.00000   60.43100
   79    52    48    15.00000   59.14900
   79    82    83    45.00000  109.38400
   79    82    84    45.00000  109.38400
   79    82    85    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   52    79    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   82    79    48    60.00000  120.94000
   82    79    52    80.00000  116.47100
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    67    50.00000  109.50000
   70    80    81    83.00000  123.40000
   80    57    60    65.00000  118.96000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    62    90.00000  111.29400
   58    62    63    40.00000  117.72500
   58    62    66    65.00000  118.96000
   62    58    59    80.00000  123.72100
   62    66    71    70.00000  124.00000
   62    66    75    70.00000  124.00000
   66    62    63    35.00000  120.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   66    75    76    35.00000  109.50000
   66    75    77    35.00000  109.50000
   66    75    78    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    66    71    65.00000  117.92700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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    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    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   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    46   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    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.56750  1.0 1.0
   39    46    50    53  -0.07550 -1.0 2.0
   39    46    50    53   0.20000  1.0 3.0
   39    46    50    56   0.62750  1.0 1.0
   39    46    50    56  -0.30950 -1.0 2.0
   39    46    50    56   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    79  -0.26800  1.0 1.0
   43    44    48    79   0.69150 -1.0 2.0
   43    44    48    79  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   1.11900  1.0 1.0
   43    44    48    52  -1.16350 -1.0 2.0
   43    44    48    52  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48   -52    79   0.06250  1.0 1.0
   44    48   -52    79  -0.01100 -1.0 2.0
   44    48   -52    79   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    79   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    79   0.07850  1.0 1.0
   46    44    48    79  -0.03950 -1.0 2.0
   46    44    48    79   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.02550  1.0 1.0
   46    44    48    52  -0.02600 -1.0 2.0
   46    44    48    52   1.20400  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    57   0.34400  1.0 1.0
   46    50    53    57   0.09450 -1.0 2.0
   46    50    53    57   0.11100  1.0 3.0
   46    50    56    58  -0.25900  1.0 1.0
   46    50    56    58  -0.47000 -1.0 2.0
   46    50    56    58   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    57    60   0.09850  1.0 1.0
   50    53    57    60   0.15250 -1.0 2.0
   50    53    57    60  -0.50650  1.0 3.0
   50    53    57    80   0.09700  1.0 1.0
   50    53    57    80   0.15600 -1.0 2.0
   50    53    57    80  -0.50800  1.0 3.0
   50    56    58    59   3.00000 -1.0 2.0
   50    56    58    62   2.00000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    56    58   0.08050  1.0 3.0
   53    50    56    58  -0.25900  1.0 1.0
   53    50    56    58  -0.47000 -1.0 2.0
   53    50    56    58   0.11750  1.0 3.0
   53    57    60    61   7.00000 -1.0 2.0
   53    57    60    64   7.00000 -1.0 2.0
   53    57    80    70  -0.15000  1.0 1.0
   53    57    80    70   0.89550 -1.0 2.0
   53    57    80    70  -0.06900  1.0 3.0
   53    57    80    81  -0.64400  1.0 1.0
   53    57    80    81   0.26850 -1.0 2.0
   54    53    57    60   0.00000  1.0 1.0
   54    53    57    80   0.15000  1.0 3.0
   55    53    57    60   0.00000  1.0 1.0
   55    53    57    80   0.15000  1.0 3.0
   57    60    64    65   0.00000  1.0 1.0
   57    60    64    67   0.09850  1.0 1.0
   57    60    64    67   0.15250 -1.0 2.0
   57    60    64    67  -0.50650  1.0 3.0
   57    60   -64    70   0.39000  1.0 1.0
   57    60   -64    70  -0.05800 -1.0 2.0
   57    60   -64    70  -0.55150  1.0 3.0
   60    57   -80    70  -0.56150  1.0 1.0
   60    57   -80    70   2.19150 -1.0 2.0
   60    57    80    81   1.00000 -1.0 2.0
   60    64    67    68   0.15000  1.0 3.0
   60    64    67    69   0.15000  1.0 3.0
   60    64    67    79   0.34400  1.0 1.0
   60    64    67    79   0.09450 -1.0 2.0
   60    64    67    79   0.11100  1.0 3.0
   60    64   -70    80  -0.82050  1.0 1.0
   60    64   -70    80   0.00600 -1.0 2.0
   60    64   -70    80   0.04400  1.0 3.0
   61    60    64    65   0.33100  1.0 3.0
   61    60    64    67   0.00000  1.0 1.0
   61    60    64    70   0.00000  1.0 1.0
   64    67    79    48   0.07850  1.0 1.0
   64    67    79    48  -0.03950 -1.0 2.0
   64    67    79    48   0.67350  1.0 3.0
   64    67    79    52   0.02550  1.0 1.0
   64    67    79    52  -0.02600 -1.0 2.0
   64    67    79    52   1.20400  1.0 3.0
   64    67    79    82   0.56750  1.0 1.0
   64    67    79    82  -0.07550 -1.0 2.0
   64    67    79    82   0.20000  1.0 3.0
   64    70   -80    57   2.00000 -1.0 2.0
   64    70    80    81   3.00000 -1.0 2.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    79   0.15000  1.0 3.0
   65    64    70    80   0.08050  1.0 3.0
   67    64    70    80  -0.25900  1.0 1.0
   67    64    70    80  -0.47000 -1.0 2.0
   67    64    70    80   0.11750  1.0 3.0
   67    79    48    44   0.56750  1.0 1.0
   67    79    48    44  -0.07550 -1.0 2.0
   67    79    48    44   0.20000  1.0 3.0
   67    79    48    49   0.15000  1.0 3.0
   67    79   -48    52   0.02550  1.0 1.0
   67    79   -48    52  -0.02600 -1.0 2.0
   67    79   -48    52   1.20400  1.0 3.0
   67    79   -52    48   0.06250  1.0 1.0
   67    79   -52    48  -0.01100 -1.0 2.0
   67    79   -52    48   0.28050  1.0 3.0
   67    79    82    83   0.15000  1.0 3.0
   67    79    82    84   0.15000  1.0 3.0
   67    79    82    85   0.15000  1.0 3.0
   68    67    79    48   0.15000  1.0 3.0
   68    67    79    52   0.23400  1.0 3.0
   68    67    79    82   0.15000  1.0 3.0
   69    67    79    48   0.15000  1.0 3.0
   69    67    79    52   0.23400  1.0 3.0
   69    67    79    82   0.15000  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    79    82    83   0.15000  1.0 3.0
   48    79    82    84   0.15000  1.0 3.0
   48    79    82    85   0.15000  1.0 3.0
   49    48   -52    79   0.36800  1.0 3.0
   52    79   -48    44   0.02550  1.0 1.0
   52    79   -48    44  -0.02600 -1.0 2.0
   52    79   -48    44   1.20400  1.0 3.0
   52    79   -48    49   0.23400  1.0 3.0
   52    79    82    83   0.23400  1.0 3.0
   52    79    82    84   0.23400  1.0 3.0
   52    79    82    85   0.23400  1.0 3.0
   82    79    48    44   0.56750  1.0 1.0
   82    79    48    44  -0.07550 -1.0 2.0
   82    79    48    44   0.20000  1.0 3.0
   82    79    48    49   0.15000  1.0 3.0
   82    79   -48    52   0.02550  1.0 1.0
   82    79   -48    52  -0.02600 -1.0 2.0
   82    79   -48    52   1.20400  1.0 3.0
   82    79   -52    48   0.06250  1.0 1.0
   82    79   -52    48  -0.01100 -1.0 2.0
   82    79   -52    48   0.28050  1.0 3.0
   70    64    67    68   0.23400  1.0 3.0
   70    64    67    69   0.23400  1.0 3.0
   70    64    67    79  -0.26800  1.0 1.0
   70    64    67    79   0.69150 -1.0 2.0
   70    64    67    79  -0.48750  1.0 3.0
   80    57    60    61   7.00000 -1.0 2.0
   80    57   -60    64   7.00000 -1.0 2.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    57   0.61850  1.0 1.0
   56    50    53    57  -0.22750 -1.0 2.0
   56    50    53    57   0.15300  1.0 3.0
   56    58    62    63   1.63100 -1.0 2.0
   56    58    62    66  -0.56150  1.0 1.0
   56    58    62    66   2.19150 -1.0 2.0
   58    62    66    71   7.00000 -1.0 2.0
   58    62    66    75   7.00000 -1.0 2.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    66   1.00000 -1.0 2.0
   62    66    71    72   0.00000  1.0 1.0
   62    66    71    73   0.00000  1.0 1.0
   62    66    71    74   0.00000  1.0 1.0
   62    66    75    76   0.00000  1.0 1.0
   62    66    75    77   0.00000  1.0 1.0
   62    66    75    78   0.00000  1.0 1.0
   63    62    66    71   7.00000 -1.0 2.0
   63    62    66    75   7.00000 -1.0 2.0
   71    66    75    76   0.34800  1.0 3.0
   71    66    75    77   0.34800  1.0 3.0
   71    66    75    78   0.34800  1.0 3.0
   75    66    71    72   0.34800  1.0 3.0
   75    66    71    73   0.34800  1.0 3.0
   75    66    71    74   0.34800  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    43    41    42  10.50000 -1.0 2.0
   53    80    57    60   1.10000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   57    70    80    81  10.50000 -1.0 2.0
   56    62    58    59  10.50000 -1.0 2.0
   58    63    62    66  15.00000 -1.0 2.0
   71    75    66    62  15.00000 -1.0 2.0
END
