* LIGAND DATABASE FILE (OPLS2005)
*
001      85    84    148    204     422
    1     0 S   NP   _N1_     1    29.21055    95.03309   -26.02180
    2     1 S   H    _HN1     2     1.02784   122.71553   -94.62211
    3     1 S   H    _H1_     3     1.02950    76.89645     8.97457
    4     1 S   H    _H2_     4     1.02831    30.47047  -162.76770
    5     1 S   CT   _CA1     5     1.50114   118.85434   115.26930
    6     5 S   HC   _HA1     6     1.09572   105.19889    91.69092
    7     5 S   CO3  _C1_     7     1.53790   112.46053   -28.55475
    8     7 S   O2Z  _O11     8     1.26372   114.99981   -42.19799
    9     7 S   O2Z  _O12     9     1.26237   114.95117   136.94869
   10     5 S   CT   _CB1    10     1.53087   107.43752  -150.29995
   11    10 S   HC   HB11    11     1.09831   109.39300   -49.54230
   12    10 S   HC   HB12    12     1.09814   110.43748    67.07333
   13    10 S   CT   _CG1    13     1.52996   112.60339  -170.51863
   14    13 S   HC   HG11    14     1.09582   110.61635   -65.33120
   15    13 S   HC   HG12    15     1.09669   109.80455    53.90441
   16    13 S   C    _CD1    16     1.51790   112.24426   174.37845
   17    16 S   O    _OE1    17     1.22734   123.27848     6.47805
   18    16 S   N    _N2_    18     1.38648   111.66235  -173.70244
   19    18 S   H    _HN2    19     1.01580   119.02415     1.39100
   20    18 S   CT1  _CA2    20     1.46104   123.34337   178.14312
   21    20 S   HC   _HA2    21     1.09588   109.27759    -0.01978
   22    20 S   C    _C2_    22     1.53515   108.85956  -115.12048
   23    22 S   O    _O2_    23     1.23052   122.25025  -149.78402
   24    20 S   CT   _CB2    32     1.53243   111.64203   122.33649
   25    24 S   HC   HB21    33     1.09647   109.73757    61.24742
   26    24 S   HC   HB22    34     1.09549   110.94469   178.77379
   27    22 S   N    _N3_    24     1.38325   113.69652    37.80077
   28    27 S   H    _HN3    25     1.01595   119.53312    -3.60674
   29    24 S   S    _SG2    35     1.82750   114.19764   -58.58298
   30    27 S   CT   _CA3    26     1.45279   123.21221   176.98936
   31    30 S   HC   HA31    27     1.09550   107.54747   -63.65927
   32    30 S   HC   HA32    28     1.09556   107.94356    52.77358
   33    29 S   CT   _C11    36     1.82279    99.69989   -67.75657
   34    33 S   HC   _H13    37     1.09473   109.71386    66.54101
   35    33 S   HC   _H14    38     1.09405   109.02182   -49.82285
   36    30 S   CO3  _C3_    29     1.52954   114.07315   174.74793
   37    36 S   O2Z  _O31    30     1.26378   116.05474    -0.39958
   38    36 S   O2Z  _O32    31     1.26426   114.41692   179.64890
   39    33 S   CM   _C9_    39     1.51803   110.02273  -173.14548
   40    39 S   CMA  _C8_    40     1.36532   123.54102    98.68120
   41    40 S   OM   _O34    41     1.26928   125.41779   177.87994
   42    39 S   CT   _C10    82     1.51734   113.28354   -83.22106
   43    42 S   HC   _H10    83     1.09540   109.95943   -58.29280
   44    42 S   HC   _H11    84     1.09479   110.50303    61.26632
   45    42 S   HC   _H12    85     1.09390   113.59512  -178.35301
   46    40 S   OS   _O33    42     1.41950   111.63164    -0.69549
   47    46 S   CT   _C7_    43     1.43371   114.07049  -137.27872
   48    47 S   HC   _H8_    44     1.09818   109.32500    53.33277
   49    47 S   HC   _H9_    45     1.09672   109.87375   -64.86842
   50    47 S   CT   _C6_    46     1.55215   109.99355   174.35226
   51    50 S   CT   _C5_    47     1.55840   111.62586    56.48050
   52    51 S   HC   _H6_    48     1.09775   109.51775   -62.13494
   53    51 S   HC   _H7_    49     1.09778   109.54748  -177.58500
   54    50 S   CT   _C12    54     1.55485   110.09814   -61.51738
   55    54 S   HC   _H15    55     1.09725   110.38701  -178.70125
   56    54 S   HC   _H16    56     1.09649   110.61828    61.69318
   57    50 S   CT   _C17    68     1.55007   107.47512   179.17599
   58    57 S   HC   _H22    69     1.09721   110.54407    60.65964
   59    57 S   HC   _H23    70     1.09629   110.77343   -58.80574
   60    51 S   CT   _C4_    50     1.52371   115.77483    60.14944
   61    60 S   HC   _H3_    51     1.09335   111.73909    60.99848
   62    60 S   HC   _H4_    52     1.09525   109.67109   179.93147
   63    60 S   HC   _H5_    53     1.09335   111.74676   -61.13944
   64    54 S   OS   _O35    57     1.43729   110.17861   -58.21630
   65    57 S   OS   _O37    71     1.43744   109.94533  -179.21019
   66    64 S   CO4  _C13    58     1.35870   116.03789  -174.63447
   67    66 S   O    _O36    59     1.22254   125.93984     1.68702
   68    65 S   CO4  _C18    72     1.35884   116.02776  -178.96278
   69    68 S   O    _O38    73     1.22243   125.91913    -0.36045
   70    66 S   CM   _C14    60     1.48939   109.42377  -177.93493
   71    68 S   CM   _C19    74     1.48969   109.40832   179.59797
   72    70 S   CM   _C15    61     1.34136   117.42177   179.59700
   73    72 S   HC   _H17    62     1.08547   120.93751  -179.75772
   74    72 S   HC   _H18    63     1.08531   122.45673     0.13122
   75    70 S   CT   _C16    64     1.49793   120.03586    -0.02798
   76    75 S   HC   _H19    65     1.09503   110.57498   -60.49771
   77    75 S   HC   _H20    66     1.09503   110.62095    59.99449
   78    75 S   HC   _H21    67     1.09534   111.87865   179.75055
   79    71 S   CM   _C20    75     1.34140   117.44177   179.20919
   80    79 S   HC   _H24    76     1.08556   120.95261   179.94405
   81    79 S   HC   _H25    77     1.08536   122.47546    -0.05595
   82    71 S   CT   _C21    78     1.49807   120.06029    -0.89065
   83    82 S   HC   _H26    79     1.09507   110.58432   -59.89293
   84    82 S   HC   _H27    80     1.09503   110.59167    60.59695
   85    82 S   HC   _H28    81     1.09536   111.88852  -179.63901
  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   6   5   4   3
  10   4   3   2   1   1   8  10   3   4   2   1   1   7  15   5
   4  17  14   7   6  11   4   3   8   3   2   3   2   1   1   5
   5   9   3   9   3   7   7   6   2   1   3   2   1   1   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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    50    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    51    54    57  
   48    49    50    51    52    53    60    54    55    56    64    57    58    59    65  
   49    50    51    54    57  
   50    51    54    57  
   51    52    53    60    61    62    63    54    55    56    64    66    57    58    59    65    68  
   52    53    60    61    62    63    54    55    56    64    57    58    59    65  
   53    60    61    62    63    54    57  
   60    61    62    63    54    57  
   55    56    64    66    67    70    57    58    59    65    60  
   56    64    66    57  
   64    66    57  
   58    59    65    68    69    71    60    64  
   59    65    68  
   65    68  
   61    62    63  
   62    63  
   63  
    0  
   66    67    70    72    75  
   68    69    71    79    82  
   67    70    72    73    74    75    76    77    78  
   70    72    75  
   69    71    79    80    81    82    83    84    85  
   71    79    82  
   72    73    74    75    76    77    78  
   79    80    81    82    83    84    85  
   73    74    75    76    77    78  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85  
   81    82  
   82  
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    54   268.000  1.529
   50    57   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    64   320.000  1.410
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    70   320.000  1.462
   70    72   549.000  1.340
   70    75   317.000  1.510
   72    73   340.000  1.080
   72    74   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   320.000  1.410
   65    68   214.000  1.327
   68    69   570.000  1.229
   68    71   320.000  1.462
   71    79   549.000  1.340
   71    82   317.000  1.510
   79    80   340.000  1.080
   79    81   340.000  1.080
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    35.00000  109.50000
   46    47    50    50.00000  109.50000
   47    50    51    58.35000  112.70000
   47    50    54    58.35000  112.70000
   47    50    57    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    53    37.50000  110.70000
   50    51    60    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    64    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    65    50.00000  109.50000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    63    37.50000  110.70000
   53    51    52    33.00000  107.80000
   60    51    52    37.50000  110.70000
   60    51    53    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   54    50    51    58.35000  112.70000
   54    64    66    83.00000  116.90000
   56    54    55    33.00000  107.80000
   64    54    55    35.00000  109.50000
   64    54    56    35.00000  109.50000
   64    66    67    83.00000  123.40000
   64    66    70    90.00000  111.29400
   66    70    72    65.00000  118.96000
   66    70    75    65.00000  116.34900
   70    66    67    80.00000  123.72100
   70    72    73    35.00000  120.00000
   70    72    74    35.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   74    72    73    35.00000  117.00000
   75    70    72    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   57    50    51    58.35000  112.70000
   57    50    54    58.35000  112.70000
   57    65    68    83.00000  116.90000
   59    57    58    33.00000  107.80000
   65    57    58    35.00000  109.50000
   65    57    59    35.00000  109.50000
   65    68    69    83.00000  123.40000
   65    68    71    90.00000  111.29400
   68    71    79    65.00000  118.96000
   68    71    82    65.00000  116.34900
   71    68    69    80.00000  123.72100
   71    79    80    35.00000  120.00000
   71    79    81    35.00000  120.00000
   71    82    83    35.00000  109.50000
   71    82    84    35.00000  109.50000
   71    82    85    35.00000  109.50000
   81    79    80    35.00000  117.00000
   82    71    79    70.00000  124.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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  -0.62250  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49   0.08050  1.0 3.0
   40    46    47    50  -0.46850  1.0 1.0
   40    46    47    50   0.09300 -1.0 2.0
   40    46    47    50  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    50    51   0.62750  1.0 1.0
   46    47    50    51  -0.30950 -1.0 2.0
   46    47    50    51   0.27300  1.0 3.0
   46    47    50    54   0.62750  1.0 1.0
   46    47    50    54  -0.30950 -1.0 2.0
   46    47    50    54   0.27300  1.0 3.0
   46    47    50    57   0.62750  1.0 1.0
   46    47    50    57  -0.30950 -1.0 2.0
   46    47    50    57   0.27300  1.0 3.0
   47    50    51    52   0.15000  1.0 3.0
   47    50    51    53   0.15000  1.0 3.0
   47    50    51    60   0.56750  1.0 1.0
   47    50    51    60  -0.07550 -1.0 2.0
   47    50    51    60   0.20000  1.0 3.0
   47    50    54    55   0.15000  1.0 3.0
   47    50    54    56   0.15000  1.0 3.0
   47    50    54    64   0.62750  1.0 1.0
   47    50    54    64  -0.30950 -1.0 2.0
   47    50    54    64   0.27300  1.0 3.0
   47    50    57    58   0.15000  1.0 3.0
   47    50    57    59   0.15000  1.0 3.0
   47    50    57    65   0.62750  1.0 1.0
   47    50    57    65  -0.30950 -1.0 2.0
   47    50    57    65   0.27300  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    54   0.15000  1.0 3.0
   48    47    50    57   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    54   0.15000  1.0 3.0
   49    47    50    57   0.15000  1.0 3.0
   50    51    60    61   0.15000  1.0 3.0
   50    51    60    62   0.15000  1.0 3.0
   50    51    60    63   0.15000  1.0 3.0
   50    54    64    66  -0.25900  1.0 1.0
   50    54    64    66  -0.47000 -1.0 2.0
   50    54    64    66   0.11750  1.0 3.0
   50    57    65    68  -0.25900  1.0 1.0
   50    57    65    68  -0.47000 -1.0 2.0
   50    57    65    68   0.11750  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    64   0.62750  1.0 1.0
   51    50    54    64  -0.30950 -1.0 2.0
   51    50    54    64   0.27300  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    65   0.62750  1.0 1.0
   51    50    57    65  -0.30950 -1.0 2.0
   51    50    57    65   0.27300  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    62   0.15000  1.0 3.0
   52    51    60    63   0.15000  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.15000  1.0 3.0
   53    51    60    63   0.15000  1.0 3.0
   54    50    51    52   0.15000  1.0 3.0
   54    50    51    53   0.15000  1.0 3.0
   54    50    51    60   0.56750  1.0 1.0
   54    50    51    60  -0.07550 -1.0 2.0
   54    50    51    60   0.20000  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    59   0.15000  1.0 3.0
   54    50    57    65   0.62750  1.0 1.0
   54    50    57    65  -0.30950 -1.0 2.0
   54    50    57    65   0.27300  1.0 3.0
   54    64    66    67   3.00000 -1.0 2.0
   54    64    66    70   2.00000 -1.0 2.0
   55    54    64    66   0.08050  1.0 3.0
   56    54    64    66   0.08050  1.0 3.0
   64    66    70    72  -0.56150  1.0 1.0
   64    66    70    72   2.19150 -1.0 2.0
   64    66    70    75  -0.15000  1.0 1.0
   64    66    70    75   0.89550 -1.0 2.0
   64    66    70    75  -0.06900  1.0 3.0
   66    70    72    73   7.00000 -1.0 2.0
   66    70    72    74   7.00000 -1.0 2.0
   66    70    75    76   0.15000  1.0 3.0
   66    70    75    77   0.15000  1.0 3.0
   66    70    75    78   0.15000  1.0 3.0
   67    66    70    72   1.00000 -1.0 2.0
   67    66    70    75  -0.64400  1.0 1.0
   67    66    70    75   0.26850 -1.0 2.0
   72    70    75    76   0.00000  1.0 1.0
   72    70    75    77   0.00000  1.0 1.0
   72    70    75    78   0.00000  1.0 1.0
   75    70    72    73   7.00000 -1.0 2.0
   75    70    72    74   7.00000 -1.0 2.0
   57    50    51    52   0.15000  1.0 3.0
   57    50    51    53   0.15000  1.0 3.0
   57    50    51    60   0.56750  1.0 1.0
   57    50    51    60  -0.07550 -1.0 2.0
   57    50    51    60   0.20000  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    64   0.62750  1.0 1.0
   57    50    54    64  -0.30950 -1.0 2.0
   57    50    54    64   0.27300  1.0 3.0
   57    65    68    69   3.00000 -1.0 2.0
   57    65    68    71   2.00000 -1.0 2.0
   58    57    65    68   0.08050  1.0 3.0
   59    57    65    68   0.08050  1.0 3.0
   65    68    71    79  -0.56150  1.0 1.0
   65    68    71    79   2.19150 -1.0 2.0
   65    68    71    82  -0.15000  1.0 1.0
   65    68    71    82   0.89550 -1.0 2.0
   65    68    71    82  -0.06900  1.0 3.0
   68    71    79    80   7.00000 -1.0 2.0
   68    71    79    81   7.00000 -1.0 2.0
   68    71    82    83   0.15000  1.0 3.0
   68    71    82    84   0.15000  1.0 3.0
   68    71    82    85   0.15000  1.0 3.0
   69    68    71    79   1.00000 -1.0 2.0
   69    68    71    82  -0.64400  1.0 1.0
   69    68    71    82   0.26850 -1.0 2.0
   79    71    82    83   0.00000  1.0 1.0
   79    71    82    84   0.00000  1.0 1.0
   79    71    82    85   0.00000  1.0 1.0
   82    71    79    80   7.00000 -1.0 2.0
   82    71    79    81   7.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   64    70    66    67  10.50000 -1.0 2.0
   66    75    70    72  15.00000 -1.0 2.0
   73    74    72    70  15.00000 -1.0 2.0
   65    71    68    69  10.50000 -1.0 2.0
   68    82    71    79  15.00000 -1.0 2.0
   80    81    79    71  15.00000 -1.0 2.0
END
