* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    153    232     445
    1     0 S   NP   _N1_     1    29.07618    94.34508   -24.13497
    2     1 S   H    _HN1     2     1.02768   108.72442   -88.71413
    3     1 S   H    _H1_     3     1.02982    84.18447    18.55025
    4     1 S   H    _H2_     4     1.02817    24.13783   178.99536
    5     1 S   CT   _CA1     5     1.50011   128.37658   129.76724
    6     5 S   HC   _HA1     6     1.09581   105.21248    79.15502
    7     5 S   CO3  _C1_     7     1.53765   112.57302   -40.74201
    8     7 S   O2Z  _O11     8     1.26333   115.07899   -38.64755
    9     7 S   O2Z  _O12     9     1.26250   114.92535   140.51754
   10     5 S   CT   _CB1    10     1.53027   107.13945  -163.17287
   11    10 S   HC   HB11    11     1.09826   109.01162   -52.75508
   12    10 S   HC   HB12    12     1.09738   110.37022    63.50016
   13    10 S   CT   _CG1    13     1.52944   113.02500  -174.10858
   14    13 S   HC   HG11    14     1.09596   110.33105   -67.04916
   15    13 S   HC   HG12    15     1.09651   110.07683    52.24801
   16    13 S   C    _CD1    16     1.51796   112.29220   172.37319
   17    16 S   O    _OE1    17     1.22718   123.25337    -4.43244
   18    16 S   N    _N2_    18     1.38627   111.70831   176.15534
   19    18 S   H    _HN2    19     1.01598   119.05999    -0.57946
   20    18 S   CT1  _CA2    20     1.46106   123.24486   178.89111
   21    20 S   HC   _HA2    21     1.09586   109.11350   -15.44742
   22    20 S   C    _C2_    22     1.53477   108.48865  -130.51250
   23    22 S   O    _O2_    23     1.23017   122.18685  -147.59417
   24    20 S   CT   _CB2    32     1.53384   111.85221   107.12928
   25    24 S   HC   HB21    33     1.09653   109.59785    58.72415
   26    24 S   HC   HB22    34     1.09561   111.05094   176.15122
   27    22 S   N    _N3_    24     1.38499   113.39092    39.95974
   28    27 S   H    _HN3    25     1.01529   118.90213    -0.80381
   29    24 S   S    _SG2    35     1.82796   114.52764   -61.18449
   30    27 S   CT   _CA3    26     1.45454   123.52298   174.80242
   31    30 S   HC   HA31    27     1.09517   109.31304    22.83223
   32    30 S   HC   HA32    28     1.09495   107.10465   139.88148
   33    29 S   CT   _C24    36     1.82714    99.71564   -70.34296
   34    33 S   HC   _H3_    37     1.09402   109.13916    62.29646
   35    33 S   HC   _H4_    38     1.09510   107.86285   -55.33130
   36    30 S   CO3  _C3_    29     1.52931   113.06356  -100.67498
   37    36 S   O2Z  _O31    30     1.26406   115.40459   -43.66108
   38    36 S   O2Z  _O32    31     1.26352   114.97698   137.23885
   39    33 S   CT   _C25    39     1.53247   111.27023  -175.89506
   40    39 S   HC   _H53    40     1.09780   110.34271    50.75545
   41    39 S   CO4  _C19    41     1.52143   110.76469   -70.46793
   42    41 S   O    _O25    42     1.22476   124.48719   -70.65235
   43    39 S   CT   _C21    84     1.52912   110.68317   169.07724
   44    43 S   HC   _H42    85     1.09575   111.50332    57.95186
   45    43 S   HC   _H43    86     1.09558   110.79169   177.70492
   46    43 S   HC   _H44    87     1.09499   110.78914   -62.41515
   47    41 S   OS   _O27    43     1.39153   108.93569   109.15822
   48    47 S   CA   _C15    44     1.39516   112.95126  -179.20279
   49    48 S   CA   _C10    45     1.39066   119.19862   -93.70533
   50    49 S   HA   _H35    46     1.08592   120.65867     2.09275
   51    49 S   CA   _C6_    47     1.39715   119.37152  -177.84741
   52    51 S   HA   _H31    48     1.08587   117.38244  -179.84805
   53    51 S   CA   _C13    49     1.40727   121.15029     0.50124
   54    53 S   CA   _C7_    50     1.41235   117.73814     0.07402
   55    54 S   HA   _H32    51     1.08731   120.26758   179.60534
   56    53 S   CT   _C26    54     1.54630   122.75517   179.44362
   57    48 S   CA   _C11    52     1.38975   119.49048    89.54768
   58    57 S   HA   _H36    53     1.08575   120.86192    -2.09480
   59    56 S   CA   _C12    55     1.54659   110.93903   121.91126
   60    56 S   CT   _C22    76     1.55300   106.61853  -113.68928
   61    60 S   HC   _H45    77     1.09743   111.03596    55.36814
   62    60 S   HC   _H46    78     1.09672   111.63334   174.67774
   63    60 S   HC   _H47    79     1.09628   112.47368   -64.55044
   64    56 S   CT   _C23    80     1.55280   113.72126     2.11794
   65    64 S   HC   _H48    81     1.09672   111.58764   -61.51513
   66    64 S   HC   _H49    82     1.09641   112.43361    59.37129
   67    64 S   HC   _H50    83     1.09746   111.06056   179.09821
   68    59 S   CA   _C4_    56     1.41280   119.53357   -54.93891
   69    68 S   HA   _H29    57     1.08809   120.32922     1.26439
   70    68 S   CA   _C8_    58     1.39541   121.43227  -178.51655
   71    70 S   HA   _H33    59     1.08567   120.08640  -179.69933
   72    70 S   CA   _C14    60     1.38997   119.03949     0.76745
   73    72 S   CA   _C9_    61     1.39101   121.23670    -1.68191
   74    73 S   HA   _H34    62     1.08599   120.73553  -178.72191
   75    72 S   OS   _O26    65     1.39633   119.34848  -178.14122
   76    59 S   CA   _C5_    63     1.40729   122.68547   126.30485
   77    76 S   HA   _H30    64     1.08603   121.42240    -1.45508
   78    75 S   CO4  _C18    66     1.38534   113.04044   -91.86889
   79    78 S   O    _O24    67     1.22464   126.40841    -0.01978
   80    78 S   CM   _C17    68     1.49344   110.97124  -180.00000
   81    80 S   CM   _C16    69     1.34178   122.26949    -0.02798
   82    81 S   HC   _H37    70     1.08610   120.68170  -180.00000
   83    81 S   HC   _H38    71     1.08418   123.23306    -0.02798
   84    80 S   CT   _C20    72     1.50022   115.83704   179.96574
   85    84 S   HC   _H39    73     1.09506   110.44786   -60.06564
   86    84 S   HC   _H40    74     1.09527   112.06455  -180.00000
   87    84 S   HC   _H41    75     1.09506   110.44839    60.06719
  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   9   7   9   3   4   2   1   1   7   9
   8   4   9   3  16   7   3  16   1   1  17   9   3   2   1   5
   2   1   1   8   4   7   3   8   5   3   6   1   1   9   3   7
   6   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    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    57    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    54    57    58  
   49    50    51    52    53    54    55    57    58  
   50    51    52    53    54    57    58    56  
   51    52    53    57  
   52    53    54    55    57    56    59    60    64  
   53    54    56  
   54    55    57    58    56    59    68    76    60    61    62    63    64    65    66    67  
   55    57    58    56    59    60    64  
   57    58    56  
   59    68    69    70    73    76    77    60    61    62    63    64    65    66    67    57  
   58  
    0  
   68    69    70    71    72    73    74    76    77    60    61    62    63    64    65    66    67  
   61    62    63    64    65    66    67    68    76  
   62    63    64  
   63    64  
   64  
   65    66    67    68    76  
   66    67  
   67  
    0  
   69    70    71    72    73    76    77    75  
   70    71    72    76  
   71    72    73    74    76    75    78  
   72    73    75  
   73    74    76    77    75    78    79    80  
   74    76    77    75    78  
   76    77    75  
   78    79    80    81    84    76  
   77  
    0  
   79    80    81    82    83    84    85    86    87  
   80    81    84  
   81    82    83    84    85    86    87  
   82    83    84    85    86    87  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   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    47   214.000  1.327
   47    48   450.000  1.364
   48    49   469.000  1.400
   48    57   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   367.000  1.080
   51    53   469.000  1.400
   53    54   469.000  1.400
   53    56   317.000  1.510
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   56    59   317.000  1.510
   56    60   268.000  1.529
   56    64   268.000  1.529
   59    68   469.000  1.400
   59    76   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    75   450.000  1.364
   73    74   367.000  1.080
   73    76   469.000  1.400
   76    77   367.000  1.080
   75    78   214.000  1.327
   78    79   570.000  1.229
   78    80   320.000  1.462
   80    81   549.000  1.340
   80    84   317.000  1.510
   81    82   340.000  1.080
   81    83   340.000  1.080
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    85.00000  115.98000
   47    41    42    83.00000  123.40000
   47    48    49    70.00000  120.00000
   47    48    57    70.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    57    54    63.00000  120.00000
   48    57    58    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    53    63.00000  120.00000
   51    49    50    35.00000  120.00000
   51    53    54    63.00000  120.00000
   51    53    56    70.00000  120.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    57    63.00000  120.00000
   53    56    59    70.00000  112.04700
   53    56    60    70.00000  112.17500
   53    56    64    70.00000  112.17500
   54    57    58    35.00000  120.00000
   57    48    49    63.00000  120.00000
   57    54    55    35.00000  120.00000
   56    53    54    70.00000  120.00000
   56    59    68    70.00000  120.00000
   56    59    76    70.00000  120.00000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    67    37.50000  110.70000
   59    68    69    35.00000  120.00000
   59    68    70    63.00000  120.00000
   59    76    73    63.00000  120.00000
   59    76    77    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    75    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    76    63.00000  120.00000
   72    75    78    85.00000  115.98000
   73    76    77    35.00000  120.00000
   76    59    68    63.00000  120.00000
   76    73    74    35.00000  120.00000
   75    72    73    70.00000  120.00000
   75    78    79    83.00000  123.40000
   75    78    80    90.00000  111.29400
   78    80    81    65.00000  118.96000
   78    80    84    65.00000  116.34900
   80    78    79    80.00000  123.72100
   80    81    82    35.00000  120.00000
   80    81    83    35.00000  120.00000
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   83    81    82    35.00000  117.00000
   84    80    81    70.00000  124.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   60    56    59    70.00000  112.17500
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    56    59    70.00000  112.17500
   64    56    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  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    47    48   0.75600  1.0 1.0
   39    41    47    48   1.63000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.01300  1.0 1.0
   41    47    48    49   0.97950 -1.0 2.0
   41    47    48    49  -0.55700  1.0 3.0
   41    47    48    57   0.01300  1.0 1.0
   41    47    48    57   0.97950 -1.0 2.0
   41    47    48    57  -0.55700  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    49    50   3.62500 -1.0 2.0
   47    48    49    51   3.62500 -1.0 2.0
   47    48    57    54   3.62500 -1.0 2.0
   47    48    57    58   3.62500 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    51    53   3.62500 -1.0 2.0
   49    48    57    54   3.62500 -1.0 2.0
   49    48    57    58   3.62500 -1.0 2.0
   49    51   -53    54   3.62500 -1.0 2.0
   49    51    53    56   3.62500 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    53   3.62500 -1.0 2.0
   51    53    54    55   3.62500 -1.0 2.0
   51    53    54    57   3.62500 -1.0 2.0
   51    53    56    59   0.04300 -1.0 2.0
   51    53    56    60   0.04150 -1.0 2.0
   51    53    56    64   0.04150 -1.0 2.0
   52    51    53    54   3.62500 -1.0 2.0
   52    51    53    56   3.62500 -1.0 2.0
   53    54   -57    48   3.62500 -1.0 2.0
   53    54    57    58   3.62500 -1.0 2.0
   53    56    59    68   0.04300 -1.0 2.0
   53    56    59    76   0.04300 -1.0 2.0
   53    56    60    61   0.43200  1.0 3.0
   53    56    60    62   0.43200  1.0 3.0
   53    56    60    63   0.43200  1.0 3.0
   53    56    64    65   0.43200  1.0 3.0
   53    56    64    66   0.43200  1.0 3.0
   53    56    64    67   0.43200  1.0 3.0
   54    53    56    59   0.04300 -1.0 2.0
   54    53    56    60   0.04150 -1.0 2.0
   54    53    56    64   0.04150 -1.0 2.0
   55    54    57    48   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   57    48    49    50   3.62500 -1.0 2.0
   57    48   -49    51   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    57   3.62500 -1.0 2.0
   56    59    68    69   3.62500 -1.0 2.0
   56    59    68    70   3.62500 -1.0 2.0
   56    59    76    73   3.62500 -1.0 2.0
   56    59    76    77   3.62500 -1.0 2.0
   59    56    60    61   0.43200  1.0 3.0
   59    56    60    62   0.43200  1.0 3.0
   59    56    60    63   0.43200  1.0 3.0
   59    56    64    65   0.43200  1.0 3.0
   59    56    64    66   0.43200  1.0 3.0
   59    56    64    67   0.43200  1.0 3.0
   59    68    70    71   3.62500 -1.0 2.0
   59    68    70    72   3.62500 -1.0 2.0
   68    59    76    73   3.62500 -1.0 2.0
   68    59    76    77   3.62500 -1.0 2.0
   68    70   -72    73   3.62500 -1.0 2.0
   68    70    72    75   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72    73    76   3.62500 -1.0 2.0
   70    72    75    78   0.01300  1.0 1.0
   70    72    75    78   0.97950 -1.0 2.0
   70    72    75    78  -0.55700  1.0 3.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    75   3.62500 -1.0 2.0
   72    73   -76    59   3.62500 -1.0 2.0
   72    73    76    77   3.62500 -1.0 2.0
   72    75    78    79   3.00000 -1.0 2.0
   72    75    78    80   2.00000 -1.0 2.0
   73    72    75    78   0.01300  1.0 1.0
   73    72    75    78   0.97950 -1.0 2.0
   73    72    75    78  -0.55700  1.0 3.0
   74    73    76    59   3.62500 -1.0 2.0
   74    73    76    77   3.62500 -1.0 2.0
   76    59    68    69   3.62500 -1.0 2.0
   76    59   -68    70   3.62500 -1.0 2.0
   75    72    73    74   3.62500 -1.0 2.0
   75    72    73    76   3.62500 -1.0 2.0
   75    78    80    81  -0.56150  1.0 1.0
   75    78    80    81   2.19150 -1.0 2.0
   75    78    80    84  -0.15000  1.0 1.0
   75    78    80    84   0.89550 -1.0 2.0
   75    78    80    84  -0.06900  1.0 3.0
   78    80    81    82   7.00000 -1.0 2.0
   78    80    81    83   7.00000 -1.0 2.0
   78    80    84    85   0.15000  1.0 3.0
   78    80    84    86   0.15000  1.0 3.0
   78    80    84    87   0.15000  1.0 3.0
   79    78    80    81   1.00000 -1.0 2.0
   79    78    80    84  -0.64400  1.0 1.0
   79    78    80    84   0.26850 -1.0 2.0
   81    80    84    85   0.00000  1.0 1.0
   81    80    84    86   0.00000  1.0 1.0
   81    80    84    87   0.00000  1.0 1.0
   84    80    81    82   7.00000 -1.0 2.0
   84    80    81    83   7.00000 -1.0 2.0
   60    56    59    68   0.04150 -1.0 2.0
   60    56    59    76   0.04150 -1.0 2.0
   60    56    64    65   0.15000  1.0 3.0
   60    56    64    66   0.15000  1.0 3.0
   60    56    64    67   0.15000  1.0 3.0
   64    56    59    68   0.04150 -1.0 2.0
   64    56    59    76   0.04150 -1.0 2.0
   64    56    60    61   0.15000  1.0 3.0
   64    56    60    62   0.15000  1.0 3.0
   64    56    60    63   0.15000  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  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    47    41    42  10.50000 -1.0 2.0
   49    57    48    47   4.00000 -1.0 2.0
   51    50    49    48   1.10000 -1.0 2.0
   53    52    51    49   1.10000 -1.0 2.0
   54    56    53    51   4.00000 -1.0 2.0
   57    55    54    53   1.10000 -1.0 2.0
   54    58    57    48   1.10000 -1.0 2.0
   68    76    59    56   4.00000 -1.0 2.0
   70    69    68    59   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    75    72    70   4.00000 -1.0 2.0
   76    74    73    72   1.10000 -1.0 2.0
   73    77    76    59   1.10000 -1.0 2.0
   75    80    78    79  10.50000 -1.0 2.0
   78    84    80    81  15.00000 -1.0 2.0
   82    83    81    80  15.00000 -1.0 2.0
END
