* LIGAND DATABASE FILE (OPLS2005)
*
001      91    92    166    244     487
    1     0 S   NP   _N1_     1    28.58714    95.01488   -22.68103
    2     1 S   H    _HN1     2     1.02963    82.80406    28.22206
    3     1 S   H    _H1_     3     1.02833    30.79343   170.32196
    4     1 S   H    _H2_     4     1.02777    98.80167   -79.29553
    5     1 S   CT   _CA1     5     1.50123   138.95735   141.12959
    6     5 S   HC   _HA1     6     1.09577   105.22979    74.63793
    7     5 S   CO3  _C1_     7     1.53781   112.41452   -45.53476
    8     7 S   O2Z  _O11     8     1.26354   115.01191   -43.40990
    9     7 S   O2Z  _O12     9     1.26243   114.92019   135.78076
   10     5 S   CT   _CB1    10     1.53092   107.40431  -167.49530
   11    10 S   HC   HB11    11     1.09824   109.26944   -51.24944
   12    10 S   HC   HB12    12     1.09821   110.42212    65.26717
   13    10 S   CT   _CG1    13     1.53006   112.72029  -172.40320
   14    13 S   HC   HG11    14     1.09597   110.39655   -64.18857
   15    13 S   HC   HG12    15     1.09650   110.02544    55.03554
   16    13 S   C    _CD1    16     1.51814   112.32057   175.30848
   17    16 S   O    _OE1    17     1.22719   123.25464    -4.11942
   18    16 S   N    _N2_    18     1.38640   111.63604   176.35283
   19    18 S   H    _HN2    19     1.01575   119.04565     1.47432
   20    18 S   CT1  _CA2    20     1.46153   123.35679  -180.00000
   21    20 S   HC   _HA2    21     1.09736   109.34937    -4.89681
   22    20 S   C    _C2_    22     1.53438   108.60502  -120.37949
   23    22 S   O    _O2_    23     1.23029   122.22506  -145.74653
   24    20 S   CT   _CB2    32     1.53332   111.52784   117.05172
   25    24 S   HC   HB21    33     1.09525   110.20902    55.32915
   26    24 S   HC   HB22    34     1.09497   109.93879   174.23449
   27    22 S   N    _N3_    24     1.38495   113.47666    41.74978
   28    27 S   H    _HN3    25     1.01501   118.97910    -0.61929
   29    24 S   S    _SG2    35     1.82864   111.51043   -66.05564
   30    27 S   CT   _CA3    26     1.45432   123.36159   174.88297
   31    30 S   HC   HA31    27     1.09527   109.19917    26.00220
   32    30 S   HC   HA32    28     1.09495   107.15964   142.99953
   33    29 S   CT   _C13    36     1.83405    99.66992  -175.95901
   34    33 S   HC   _H5_    37     1.08796   101.49282    39.40957
   35    30 S   CO3  _C3_    29     1.52915   113.02785   -97.42945
   36    35 S   O2Z  _O31    30     1.26405   115.35642   -46.36101
   37    35 S   O2Z  _O32    31     1.26347   115.02098   134.54813
   38    33 S   CM   _C14    38     1.53222   113.95801   158.56443
   39    33 S   CT   _C12    50     1.54435   111.77632   -76.86087
   40    39 S   HC   _H14    51     1.09933   110.63860   -99.15549
   41    39 S   HC   _H15    52     1.09736   109.45828    16.90667
   42    38 S   CMA  _C15    39     1.36800   122.00506  -145.34197
   43    42 S   OM   _O35    40     1.26615   129.87929  -169.08334
   44    38 S   CT   _C16    69     1.52549   119.05919    38.56296
   45    44 S   HC   _H16    70     1.09251   114.62778    -3.55853
   46    44 S   HC   _H17    71     1.09642   109.92901   115.37723
   47    42 S   CT   _C9_    41     1.53879   120.09838    16.14762
   48    47 S   HC   _H4_    42     1.10177   111.53067   172.74526
   49    47 S   CT   _C10    43     1.54774   118.03910   -64.77421
   50    49 S   HC   _H10    44     1.10030   106.02004  -130.44246
   51    49 S   HC   _H11    45     1.09850   110.77506   117.79112
   52    47 S   OS   _O34    57     1.46196   106.59172    57.34810
   53    49 S   CT   _C11    46     1.53999   118.53774   -11.05058
   54    53 S   HC   _H12    47     1.09940   104.68559  -143.11477
   55    53 S   HC   _H13    48     1.09587   113.18714   -29.40682
   56    52 S   CO4  _C8_    58     1.36227   116.86028    72.47325
   57    56 S   O    _O33    59     1.22111   127.03140    31.63527
   58    53 S   NT   _N4_    49     1.47590   113.32556    99.87025
   59    56 S   CM   _C7_    60     1.49075   108.14447  -144.07373
   60    58 S   CT   _C22    53     1.46852   109.88002   152.86573
   61    60 S   HC   _H24    54     1.09593   110.82069  -177.10220
   62    60 S   HC   _H25    55     1.09602   111.98411    61.62501
   63    60 S   HC   _H26    56     1.09588   110.72081   -59.59565
   64    59 S   CM   _C6_    61     1.35125   119.23893   126.26203
   65    64 S   HC   _H9_    62     1.08912   117.28549   175.85731
   66    59 S   CM   _C23    87     1.45436   117.39673   -56.96478
   67    66 S   HC   _H27    88     1.08783   115.90395   -33.78498
   68    64 S   CT   _C5_    63     1.52406   128.61470    -3.02116
   69    68 S   HC   _H3_    64     1.09583   109.50471   -10.74105
   70    66 S   CM   _C24    89     1.33891   125.66399   144.12498
   71    70 S   HC   _H28    90     1.08524   120.24918  -178.74914
   72    70 S   HC   _H29    91     1.08492   122.34891     0.32445
   73    68 S   CT   _C18    65     1.57478   115.15285  -129.82308
   74    68 S   CT   _C4_    83     1.53801   108.05074   103.85526
   75    74 S   HC   _H6_    84     1.09524   111.90671    60.62526
   76    74 S   HC   _H7_    85     1.09627   110.70343   -59.00614
   77    74 S   HC   _H8_    86     1.09464   111.44890  -178.14312
   78    73 S   CO4  _C17    66     1.53892   108.86608    57.70312
   79    78 S   O    _O37    67     1.22389   123.68392  -102.67660
   80    73 S   CT   _C19    72     1.53817   112.71289   -65.42951
   81    80 S   HC   _H18    73     1.09496   111.35333   -67.58868
   82    80 S   HC   _H19    74     1.09540   111.42575   174.10272
   83    80 S   HC   _H20    75     1.09369   112.38629    54.87568
   84    73 S   OS   _O38    76     1.45636   105.68623   176.18895
   85    78 S   OS   _O36    68     1.36265   110.44070    75.23290
   86    84 S   CO4  _C20    77     1.36177   121.26382  -172.69733
   87    86 S   O    _O39    78     1.22263   126.81568     0.19979
   88    86 S   CT   _C21    79     1.49856   109.27892   179.86438
   89    88 S   HC   _H21    80     1.09290   109.80084   -61.92091
   90    88 S   HC   _H22    81     1.09378   109.37220   178.98028
   91    88 S   HC   _H23    82     1.09295   109.84358    59.98857
  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   9   5   4   3
  15   7   2   1   1  15  13   4   3  13   5   7   3   2  12   6
   9   6   5   6   7   3   2   8   3   4  11   3   2   1   1  14
   5   5   3  15   8   2   1   1  15   6   2   1   1   8   3   6
   3   2   1   7   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    53    58    39    40    41    60    85    44    45    46  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    58    39    40    41    52    78    85    44    45    46  
   40    41    60    61    62    63    44    42    49    53    54    55    58  
   41    60    53    58  
   60    53    58  
   43    47    48    49    50    51    53    52    56    85    44    45    46  
   47    48    49    52    44  
   45    46    47    73    78    79    85  
   46    78    85  
   78    85  
   48    49    50    51    53    54    55    58    52    56    57    59  
   49    50    51    53    52    56  
   50    51    53    54    55    58    60    52    56  
   51    53    54    55    58    52  
   53    54    55    58    52  
   56    57    59    64    66    53  
   54    55    58    60    61    62    63  
   55    58    60  
   58    60  
   57    59    64    65    68    66    67    70  
   59    64    66  
   60    61    62    63  
   64    65    68    69    73    74    66    67    70    71    72  
   61    62    63  
   62    63  
   63  
    0  
   65    68    69    73    78    80    84    74    75    76    77    66    67    70  
   68    69    73    74    66  
   67    70    71    72    68  
   70    71    72  
   69    73    78    79    85    80    81    82    83    84    86    74    75    76    77  
   73    78    80    84    74    75    76    77  
   71    72  
   72  
    0  
   78    79    85    80    81    82    83    84    86    87    88    74    75    76    77  
   75    76    77    78    80    84  
   76    77  
   77  
    0  
   79    85    80    81    82    83    84    86  
   85    80    84  
   81    82    83    84    86    85  
   82    83    84  
   83    84  
   84  
   86    87    88    89    90    91    85  
    0  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   465.000  1.376
   38    44   317.000  1.510
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   382.000  1.448
   58    39   382.000  1.448
   58    60   382.000  1.448
   39    40   340.000  1.090
   39    41   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   52    56   214.000  1.327
   56    57   570.000  1.229
   56    59   320.000  1.462
   59    64   549.000  1.340
   59    66   380.000  1.444
   64    65   340.000  1.080
   64    68   317.000  1.510
   68    69   340.000  1.090
   68    73   268.000  1.529
   68    74   268.000  1.529
   73    78   317.000  1.522
   73    80   268.000  1.529
   73    84   320.000  1.410
   78    79   570.000  1.229
   78    85   214.000  1.327
   85    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    86   214.000  1.327
   86    87   570.000  1.229
   86    88   317.000  1.522
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    71   340.000  1.080
   70    72   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    58    56.20000  109.47000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    47    65.00000  122.18000
   38    44    85    85.00000  110.90400
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   42    47    48    45.00000  110.52000
   42    47    49    70.00000  112.02700
   42    47    52    85.00000  110.90400
   47    42    43    85.00000  112.85300
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    53    58.35000  112.70000
   47    52    56    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    58    56.20000  109.47000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    58    39    51.80000  107.20000
   53    58    60    51.80000  107.20000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    39    40    35.00000  109.50000
   58    39    41    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    35.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   60    58    39    51.80000  107.20000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    50.00000  109.50000
   52    56    57    83.00000  123.40000
   52    56    59    90.00000  111.29400
   56    59    64    65.00000  118.96000
   56    59    66    65.00000  118.96000
   59    56    57    80.00000  123.72100
   59    64    65    35.00000  120.00000
   59    64    68    70.00000  124.00000
   59    66    67    35.00000  120.00000
   59    66    70    70.00000  123.01800
   64    68    69    35.00000  109.50000
   64    68    73    70.00000  112.02700
   64    68    74    70.00000  112.02700
   68    64    65    35.00000  117.00000
   68    73    78    63.00000  111.10000
   68    73    80    58.35000  112.70000
   68    73    84    50.00000  109.50000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    77    37.50000  110.70000
   73    68    69    37.50000  110.70000
   73    78    79    80.00000  120.40000
   73    78    85    81.00000  111.40000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   73    84    86    83.00000  116.90000
   78    85    44    83.00000  116.90000
   85    78    79    83.00000  123.40000
   85    44    45    35.00000  109.50000
   85    44    46    35.00000  109.50000
   44    38    42    70.00000  124.00000
   46    44    45    33.00000  107.80000
   80    73    78    63.00000  111.10000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    73    78    90.00000  108.74100
   84    73    80    50.00000  109.50000
   84    86    87    83.00000  123.40000
   84    86    88    81.00000  111.40000
   86    88    89    35.00000  109.50000
   86    88    90    35.00000  109.50000
   86    88    91    35.00000  109.50000
   88    86    87    80.00000  120.40000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    73    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   66    59    64    70.00000  123.01800
   66    70    71    35.00000  120.00000
   66    70    72    35.00000  120.00000
   70    66    67    35.00000  120.00000
   72    70    71    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    58   0.56750  1.0 1.0
   29    33    39    58  -0.07550 -1.0 2.0
   29    33    39    58   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   33    38    44    85   0.09700  1.0 1.0
   33    38    44    85   0.15600 -1.0 2.0
   33    38    44    85  -0.50800  1.0 3.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    58   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    58   0.59950  1.0 1.0
   38    33    39    58  -0.21400 -1.0 2.0
   38    33    39    58   0.56200  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.09850  1.0 1.0
   38    42    47    49   0.15250 -1.0 2.0
   38    42    47    49  -0.50650  1.0 3.0
   38    42    47    52   0.39000  1.0 1.0
   38    42    47    52  -0.05800 -1.0 2.0
   38    42    47    52  -0.55150  1.0 3.0
   42    38    44    85   0.39000  1.0 1.0
   42    38    44    85  -0.05800 -1.0 2.0
   42    38    44    85  -0.55150  1.0 3.0
   42    38    44    45   0.00000  1.0 1.0
   42    38    44    46   0.00000  1.0 1.0
   42    47    49    50   0.15000  1.0 3.0
   42    47    49    51   0.15000  1.0 3.0
   42    47    49    53   0.34400  1.0 1.0
   42    47    49    53   0.09450 -1.0 2.0
   42    47    49    53   0.11100  1.0 3.0
   42    47    52    56  -0.82050  1.0 1.0
   42    47    52    56   0.00600 -1.0 2.0
   42    47    52    56   0.04400  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.09700  1.0 1.0
   43    42    47    49   0.15600 -1.0 2.0
   43    42    47    49  -0.50800  1.0 3.0
   43    42    47    52   0.09700  1.0 1.0
   43    42    47    52   0.15600 -1.0 2.0
   43    42    47    52  -0.50800  1.0 3.0
   47    49    53    54   0.15000  1.0 3.0
   47    49    53    55   0.15000  1.0 3.0
   47    49    53    58   1.53400  1.0 1.0
   47    49    53    58  -0.09950 -1.0 2.0
   47    49    53    58   0.05700  1.0 3.0
   47    52    56    57   3.00000 -1.0 2.0
   47    52    56    59   2.00000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.15000  1.0 3.0
   48    47    52    56   0.08050  1.0 3.0
   49    47    52    56  -0.25900  1.0 1.0
   49    47    52    56  -0.47000 -1.0 2.0
   49    47    52    56   0.11750  1.0 3.0
   49    53    58    39   0.23450  1.0 1.0
   49    53    58    39   0.02050 -1.0 2.0
   49    53    58    39   0.25250  1.0 3.0
   49    53    58    60   0.23450  1.0 1.0
   49    53    58    60   0.02050 -1.0 2.0
   49    53    58    60   0.25250  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    58   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    58   0.15000  1.0 3.0
   53    58    39    33   0.23450  1.0 1.0
   53    58    39    33   0.02050 -1.0 2.0
   53    58    39    33   0.25250  1.0 3.0
   53    58    39    40   0.28000  1.0 3.0
   53    58    39    41   0.28000  1.0 3.0
   53    58    60    61   0.28000  1.0 3.0
   53    58    60    62   0.28000  1.0 3.0
   53    58    60    63   0.28000  1.0 3.0
   54    53    58    39   0.28000  1.0 3.0
   54    53    58    60   0.28000  1.0 3.0
   55    53    58    39   0.28000  1.0 3.0
   55    53    58    60   0.28000  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  1.0 3.0
   39    58    60    61   0.28000  1.0 3.0
   39    58    60    62   0.28000  1.0 3.0
   39    58    60    63   0.28000  1.0 3.0
   60    58    39    33   0.23450  1.0 1.0
   60    58    39    33   0.02050 -1.0 2.0
   60    58    39    33   0.25250  1.0 3.0
   60    58    39    40   0.28000  1.0 3.0
   60    58    39    41   0.28000  1.0 3.0
   52    47    49    50   0.23400  1.0 3.0
   52    47    49    51   0.23400  1.0 3.0
   52    47    49    53   0.62750  1.0 1.0
   52    47    49    53  -0.30950 -1.0 2.0
   52    47    49    53   0.27300  1.0 3.0
   52    56    59    64  -0.56150  1.0 1.0
   52    56    59    64   2.19150 -1.0 2.0
   52    56    59    66  -0.56150  1.0 1.0
   52    56    59    66   2.19150 -1.0 2.0
   56    59    64    65   7.00000 -1.0 2.0
   56    59    64    68   7.00000 -1.0 2.0
   56    59    66    67   0.00000  1.0 1.0
   56    59    66    70  -0.18600  1.0 3.0
   57    56    59    64   1.00000 -1.0 2.0
   57    56    59    66   1.00000 -1.0 2.0
   59    64    68    69   0.00000  1.0 1.0
   59    64    68    73   0.09850  1.0 1.0
   59    64    68    73   0.15250 -1.0 2.0
   59    64    68    73  -0.50650  1.0 3.0
   59    64    68    74   0.09850  1.0 1.0
   59    64    68    74   0.15250 -1.0 2.0
   59    64    68    74  -0.50650  1.0 3.0
   59    66    70    71   7.00000 -1.0 2.0
   59    66    70    72   7.00000 -1.0 2.0
   64    59    66    67  -0.18600  1.0 3.0
   64    59    66    70   0.28850  1.0 1.0
   64    59    66    70   2.61350 -1.0 2.0
   64    59    66    70   0.78400  1.0 3.0
   64    68    73    78  -0.98800  1.0 1.0
   64    68    73    78   0.48800 -1.0 2.0
   64    68    73    78   0.76800  1.0 3.0
   64    68    73    80   0.34400  1.0 1.0
   64    68    73    80   0.09450 -1.0 2.0
   64    68    73    80   0.11100  1.0 3.0
   64    68    73    84   0.61850  1.0 1.0
   64    68    73    84  -0.22750 -1.0 2.0
   64    68    73    84   0.15300  1.0 3.0
   64    68    74    75   0.15000  1.0 3.0
   64    68    74    76   0.15000  1.0 3.0
   64    68    74    77   0.15000  1.0 3.0
   65    64    68    69   0.33100  1.0 3.0
   65    64    68    73   0.00000  1.0 1.0
   65    64    68    74   0.00000  1.0 1.0
   68    73    78    79   0.30150 -1.0 2.0
   68    73    78    85   0.36750  1.0 3.0
   68    73    80    81   0.15000  1.0 3.0
   68    73    80    82   0.15000  1.0 3.0
   68    73    80    83   0.15000  1.0 3.0
   68    73    84    86  -0.25900  1.0 1.0
   68    73    84    86  -0.47000 -1.0 2.0
   68    73    84    86   0.11750  1.0 3.0
   69    68    73    78  -0.11250  1.0 3.0
   69    68    73    80   0.15000  1.0 3.0
   69    68    73    84   0.23400  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   73    68    74    75   0.15000  1.0 3.0
   73    68    74    76   0.15000  1.0 3.0
   73    68    74    77   0.15000  1.0 3.0
   73    78    85    44   1.63150  1.0 1.0
   73    78    85    44   2.92000 -1.0 2.0
   73    84    86    87   3.00000 -1.0 2.0
   73    84    86    88   1.63150  1.0 1.0
   73    84    86    88   2.92000 -1.0 2.0
   78    73    80    81  -0.11250  1.0 3.0
   78    73    80    82  -0.11250  1.0 3.0
   78    73    80    83  -0.11250  1.0 3.0
   78    73    84    86  -1.80650  1.0 1.0
   78    73    84    86   0.63900 -1.0 2.0
   78    73    84    86   0.03650  1.0 3.0
   78    85    44    38  -0.82050  1.0 1.0
   78    85    44    38   0.00600 -1.0 2.0
   78    85    44    38   0.04400  1.0 3.0
   78    85    44    45   0.08050  1.0 3.0
   78    85    44    46   0.08050  1.0 3.0
   79    78    85    44   3.00000 -1.0 2.0
   44    38    42    43   7.00000 -1.0 2.0
   44    38    42    47   7.00000 -1.0 2.0
   80    73    78    79   0.30150 -1.0 2.0
   80    73    78    85   0.36750  1.0 3.0
   80    73    84    86  -0.25900  1.0 1.0
   80    73    84    86  -0.47000 -1.0 2.0
   80    73    84    86   0.11750  1.0 3.0
   84    73    78    79   0.30150 -1.0 2.0
   84    73    78    85   0.40000  1.0 3.0
   84    73    80    81   0.23400  1.0 3.0
   84    73    80    82   0.23400  1.0 3.0
   84    73    80    83   0.23400  1.0 3.0
   84    86    88    89   0.00000  1.0 1.0
   84    86    88    90   0.00000  1.0 1.0
   84    86    88    91   0.00000  1.0 1.0
   87    86    88    89   0.00000  1.0 1.0
   87    86    88    90   0.00000  1.0 1.0
   87    86    88    91   0.00000  1.0 1.0
   74    68    73    78  -0.95700  1.0 1.0
   74    68    73    78  -0.18200 -1.0 2.0
   74    68    73    78   0.29450  1.0 3.0
   74    68    73    80   0.56750  1.0 1.0
   74    68    73    80  -0.07550 -1.0 2.0
   74    68    73    80   0.20000  1.0 3.0
   74    68    73    84   0.62750  1.0 1.0
   74    68    73    84  -0.30950 -1.0 2.0
   74    68    73    84   0.27300  1.0 3.0
   66    59    64    65   7.00000 -1.0 2.0
   66    59    64    68   7.00000 -1.0 2.0
   67    66    70    71   7.00000 -1.0 2.0
   67    66    70    72   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
   36    30    35    37  10.50000 -1.0 2.0
   33    44    38    42   1.10000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   52    59    56    57  10.50000 -1.0 2.0
   56    66    59    64   1.10000 -1.0 2.0
   68    65    64    59   1.10000 -1.0 2.0
   73    85    78    79  10.50000 -1.0 2.0
   84    88    86    87  10.50000 -1.0 2.0
   59    67    66    70  15.00000 -1.0 2.0
   71    72    70    66  15.00000 -1.0 2.0
END
