* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    158    238     456
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02080    93.45156    34.49022
    3     1 S   H    _H1_     3     1.02129    33.26774   154.00749
    4     1 S   H    _H2_     4     1.02068    86.82725   -74.08407
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO   _C25    36     1.84386   100.85195   159.95405
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C26    37     1.53353   107.96891    80.01094
   38    37 S   HC   _H24    38     1.09456   112.70204   -61.87413
   39    37 S   HC   _H25    39     1.09873   109.79833    56.16751
   40    37 S   HC   _H26    40     1.09641   112.05150   174.07394
   41    33 S   OH   _O37    41     1.43159   110.91181  -166.02077
   42    41 S   HO   _H27    42     0.97192   106.83653   -56.06786
   43    33 S   OS   _O36    43     1.44202   113.29555   -36.72753
   44    43 S   CA   _C22    44     1.36091   122.11910   -91.93077
   45    44 S   CA   _C21    45     1.39436   120.01326  -149.97414
   46    45 S   HA   _H21    46     1.08666   120.35267    -0.02798
   47    45 S   CA   _C20    47     1.39457   120.00630   179.94766
   48    47 S   HA   _H20    48     1.08758   119.18214   180.00000
   49    47 S   CA   _C19    49     1.39483   119.99754     0.04846
   50    49 S   CA   _C24    50     1.39479   120.02674    -0.06853
   51    50 S   HA   _H23    51     1.08728   120.91181  -179.92087
   52    49 S   CM   _C7_    54     1.47925   120.00393   179.96044
   53    44 S   CA   _C23    52     1.39511   119.95662    29.95040
   54    53 S   HA   _H22    53     1.08614   120.38637     0.04423
   55    52 S   CM   _C6_    55     1.35144   120.46048   -90.04265
   56    52 S   CT   _C8_    66     1.53163   117.47445    88.31765
   57    55 S   CA   _C10    56     1.47907   116.88748   178.35444
   58    56 S   CT   _C17    67     1.54021   112.95713    42.14340
   59    58 S   HC   _H14    68     1.08435   109.18666   179.96044
   60    58 S   HC   _H15    69     1.08460   109.14476    60.01822
   61    58 S   HC   _H16    70     1.08438   109.18963   -59.94800
   62    56 S   CT   _C18    71     1.53983   111.17735   -80.28451
   63    62 S   HC   _H17    72     1.08544   109.30864  -179.96574
   64    62 S   HC   _H18    73     1.08472   109.31504    60.04222
   65    62 S   HC   _H19    74     1.08606   109.26004   -60.02252
   66    55 S   CT   _C5_    82     1.50835   125.28712    -0.64437
   67    66 S   HC   _H6_    83     1.08924   107.78312  -148.56025
   68    66 S   HC   _H7_    84     1.08997   107.37859   -31.02639
   69    57 S   CA   _C11    57     1.40505   122.89567  -169.44151
   70    69 S   HA   _H8_    58     1.08728   121.30163     1.88409
   71    66 S   CT   _C4_    85     1.50926   110.00443    89.96194
   72    71 S   HC   _H3_    86     1.09500   109.97135   -60.58376
   73    71 S   HC   _H4_    87     1.09531   111.30419   179.35350
   74    71 S   HC   _H5_    88     1.09516   111.33293    59.32421
   75    69 S   CA   _C12    59     1.39810   121.15630  -178.07593
   76    75 S   HA   _H9_    60     1.08664   119.52741  -179.97202
   77    75 S   CA   _C13    61     1.39068   120.12937     0.44279
   78    77 S   CA   _C14    62     1.39095   119.56949    -0.37430
   79    78 S   HA   _H10    63     1.08796   119.82513   179.92598
   80    77 S   OS   _O34    75     1.35950   120.19485   179.65965
   81    57 S   CA   _C9_    64     1.39779   119.33652    12.15424
   82    80 S   CO4  _C15    76     1.40530   114.14909    89.95135
   83    82 S   O    _O35    77     1.22358   125.72157    -0.04423
   84    81 S   OS   _O33    65     1.36488   122.88807    -0.44235
   85    82 S   CT   _C16    78     1.50016   110.06839   179.97202
   86    85 S   HC   _H11    79     1.09277   109.83215   -90.05494
   87    85 S   HC   _H12    80     1.09396   109.30806   150.91642
   88    85 S   HC   _H13    81     1.09304   109.80219    31.89618
  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
  10   2   1   1   7   4   3   2   3   1   7   9   8   4   8   3
  12   6   3  19   1   1  17  13  13   9   4   3   2   5   3   2
   1   8   5   4   8   4   3   2   1   1   7   3   8   5   3   7
   1   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    53  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    41    43  
   40    41    43  
   41    43  
   42    43    44  
   43  
   44    45    46    47    50    53    54  
   45    46    47    48    49    50    51    53    54  
   46    47    48    49    50    53    54    52  
   47    48    49    53  
   48    49    50    51    53    52    55    56  
   49    50    52  
   50    51    53    54    52    55    57    84    56    58    62    66  
   51    53    54    52    55    56  
   53    54    52  
   55    57    69    81    84    56    58    59    60    61    62    63    64    65    66    67    68    71    53  
   54  
    0  
   57    69    70    75    78    81    84    56    58    62    66    67    68    71    72    73    74  
   58    59    60    61    62    63    64    65    66    57    78    81    84  
   69    70    75    76    77    78    79    81    84    66    67    68    71  
   59    60    61    62    63    64    65    81    84  
   60    61    62    84  
   61    62    84  
   62    84  
   63    64    65    81    84  
   64    65    84  
   65    84  
   84  
   67    68    71    72    73    74    69    81  
   68    71    72    73    74  
   71    72    73    74  
   70    75    76    77    78    81    84    80  
   75    76    77    81  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    81    80    82  
   77    78    80  
   78    79    81    84    80    82    83    85  
   79    81    84    80    82  
   81    84    80  
   82    83    85    86    87    88    81  
   84  
   83    85    86    87    88  
   85    86    87    88  
    0  
   86    87    88  
   87    88  
   88  
    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  -0.175000   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   0.372200   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   250.000  1.527
   33    41   380.000  1.407
   33    43   320.000  1.380
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   553.000  0.945
   43    44   450.000  1.364
   44    45   469.000  1.400
   44    53   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    52   320.000  1.460
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    54   367.000  1.080
   52    55   549.000  1.340
   52    56   317.000  1.510
   55    57   320.000  1.460
   55    66   317.000  1.510
   57    69   469.000  1.400
   57    81   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   469.000  1.400
   77    80   450.000  1.364
   78    79   367.000  1.080
   78    81   469.000  1.400
   81    84   450.000  1.364
   84    56   320.000  1.410
   56    58   268.000  1.529
   56    62   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   80    82   214.000  1.327
   82    83   570.000  1.229
   82    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    41    85.00000  114.68000
   29    33    43    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    39    45.00000  108.72000
   33    37    40    45.00000  108.72000
   33    41    42    70.00000  107.92000
   33    43    44   100.00000  112.36700
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    90.00000  110.19100
   43    33    37    90.00000  108.56700
   43    33    41   110.00000  112.08000
   43    44    45    70.00000  120.00000
   43    44    53    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    53    50    63.00000  120.00000
   44    53    54    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    63.00000  120.00000
   47    49    52    60.00000  118.70000
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  120.00000
   49    50    53    63.00000  120.00000
   49    52    55    60.00000  123.66000
   49    52    56    60.00000  124.00000
   50    53    54    35.00000  120.00000
   53    44    45    63.00000  120.00000
   53    50    51    35.00000  120.00000
   52    49    50    60.00000  118.70000
   52    55    57    60.00000  123.20500
   52    55    66    70.00000  124.00000
   52    56    84    85.00000  110.90400
   52    56    58    70.00000  112.02700
   52    56    62    70.00000  112.02700
   55    57    69    60.00000  120.93500
   55    57    81    60.00000  120.93500
   55    66    67    35.00000  109.50000
   55    66    68    35.00000  109.50000
   55    66    71    70.00000  112.02700
   57    69    70    35.00000  120.00000
   57    69    75    63.00000  120.00000
   57    81    78    63.00000  120.00000
   57    81    84    70.00000  120.00000
   69    75    76    35.00000  120.00000
   69    75    77    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    77    78    63.00000  120.00000
   75    77    80    70.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  120.00000
   77    78    81    63.00000  120.00000
   77    80    82    85.00000  115.98000
   78    81    84    70.00000  120.00000
   81    57    69    63.00000  120.00000
   81    78    79    35.00000  120.00000
   81    84    56    75.00000  111.00000
   84    56    58    50.00000  109.50000
   84    56    62    50.00000  109.50000
   56    52    55    70.00000  124.00000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    56    58    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   80    77    78    70.00000  120.00000
   80    82    83    83.00000  123.40000
   80    82    85    81.00000  111.40000
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    88    35.00000  109.50000
   85    82    83    80.00000  120.40000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   66    55    57    65.00000  118.87000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   29    33    43    44   0.14700  1.0 1.0
   29    33    43    44  -1.16150 -1.0 2.0
   29    33    43    44   0.48700  1.0 3.0
   33    43    44    45   1.63200 -1.0 2.0
   33    43    44    53   1.63200 -1.0 2.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    33    43    44  -0.32850  1.0 1.0
   37    33    43    44  -0.35800 -1.0 2.0
   37    33    43    44   0.33950  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    39   0.23400  1.0 3.0
   41    33    37    40   0.23400  1.0 3.0
   41    33    43    44  -0.25600  1.0 1.0
   41    33    43    44  -0.40050 -1.0 2.0
   41    33    43    44   0.34700  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    40   0.23400  1.0 3.0
   43    33    41    42  -0.50000  1.0 1.0
   43    33    41    42  -0.73950 -1.0 2.0
   43    33    41    42   0.17150  1.0 3.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    47   3.62500 -1.0 2.0
   43    44    53    50   3.62500 -1.0 2.0
   43    44    53    54   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    49   3.62500 -1.0 2.0
   45    44    53    50   3.62500 -1.0 2.0
   45    44    53    54   3.62500 -1.0 2.0
   45    47   -49    50   3.62500 -1.0 2.0
   45    47    49    52   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49    50    51   3.62500 -1.0 2.0
   47    49    50    53   3.62500 -1.0 2.0
   47    49    52    55   0.15800  1.0 1.0
   47    49    52    55   1.85350 -1.0 2.0
   47    49    52    55  -0.48700  1.0 3.0
   47    49    52    56  -0.02500  1.0 1.0
   47    49    52    56  -0.32150 -1.0 2.0
   47    49    52    56  -0.01500  1.0 3.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    52   3.62500 -1.0 2.0
   49    50   -53    44   3.62500 -1.0 2.0
   49    50    53    54   3.62500 -1.0 2.0
   49    52    55    57   7.00000 -1.0 2.0
   49    52    55    66   7.00000 -1.0 2.0
   49    52    56    84   0.09700  1.0 1.0
   49    52    56    84   0.15600 -1.0 2.0
   49    52    56    84  -0.50800  1.0 3.0
   49    52    56    58  -0.01700  1.0 1.0
   49    52    56    58   0.06550 -1.0 2.0
   49    52    56    58  -0.91500  1.0 3.0
   49    52    56    62  -0.01700  1.0 1.0
   49    52    56    62   0.06550 -1.0 2.0
   49    52    56    62  -0.91500  1.0 3.0
   50    49    52    55   0.15800  1.0 1.0
   50    49    52    55   1.85350 -1.0 2.0
   50    49    52    55  -0.48700  1.0 3.0
   50    49    52    56  -0.02500  1.0 1.0
   50    49    52    56  -0.32150 -1.0 2.0
   50    49    52    56  -0.01500  1.0 3.0
   51    50    53    44   3.62500 -1.0 2.0
   51    50    53    54   3.62500 -1.0 2.0
   53    44    45    46   3.62500 -1.0 2.0
   53    44   -45    47   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    49    50    53   3.62500 -1.0 2.0
   52    55    57    69   0.15800  1.0 1.0
   52    55    57    69   1.85350 -1.0 2.0
   52    55    57    69  -0.48700  1.0 3.0
   52    55    57    81   0.15800  1.0 1.0
   52    55    57    81   1.85350 -1.0 2.0
   52    55    57    81  -0.48700  1.0 3.0
   52    55    66    67   0.00000  1.0 1.0
   52    55    66    68   0.00000  1.0 1.0
   52    55    66    71   0.09850  1.0 1.0
   52    55    66    71   0.15250 -1.0 2.0
   52    55    66    71  -0.50650  1.0 3.0
   52    56    58    59   0.15000  1.0 3.0
   52    56    58    60   0.15000  1.0 3.0
   52    56    58    61   0.15000  1.0 3.0
   52    56    62    63   0.15000  1.0 3.0
   52    56    62    64   0.15000  1.0 3.0
   52    56    62    65   0.15000  1.0 3.0
   55    52    56    84   0.39000  1.0 1.0
   55    52    56    84  -0.05800 -1.0 2.0
   55    52    56    84  -0.55150  1.0 3.0
   55    52    56    58   0.09850  1.0 1.0
   55    52    56    58   0.15250 -1.0 2.0
   55    52    56    58  -0.50650  1.0 3.0
   55    52    56    62   0.09850  1.0 1.0
   55    52    56    62   0.15250 -1.0 2.0
   55    52    56    62  -0.50650  1.0 3.0
   55    57    69    70   3.62500 -1.0 2.0
   55    57    69    75   3.62500 -1.0 2.0
   55    57    81    78   3.62500 -1.0 2.0
   55    57   -81    84   3.62500 -1.0 2.0
   55    66    71    72   0.15000  1.0 3.0
   55    66    71    73   0.15000  1.0 3.0
   55    66    71    74   0.15000  1.0 3.0
   57    55    66    67   0.77000  1.0 3.0
   57    55    66    68   0.77000  1.0 3.0
   57    55    66    71  -0.01700  1.0 1.0
   57    55    66    71   0.06550 -1.0 2.0
   57    55    66    71  -0.91500  1.0 3.0
   57    69    75    76   3.62500 -1.0 2.0
   57    69    75    77   3.62500 -1.0 2.0
   57    81    84    56   1.63200 -1.0 2.0
   69    57    81    78   3.62500 -1.0 2.0
   69    57    81    84   3.62500 -1.0 2.0
   69    75   -77    78   3.62500 -1.0 2.0
   69    75    77    80   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    77   3.62500 -1.0 2.0
   75    77    78    79   3.62500 -1.0 2.0
   75    77    78    81   3.62500 -1.0 2.0
   75    77    80    82   0.01300  1.0 1.0
   75    77    80    82   0.97950 -1.0 2.0
   75    77    80    82  -0.55700  1.0 3.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    80   3.62500 -1.0 2.0
   77    78   -81    57   3.62500 -1.0 2.0
   77    78    81    84   3.62500 -1.0 2.0
   77    80    82    83   3.00000 -1.0 2.0
   77    80    82    85   0.75600  1.0 1.0
   77    80    82    85   1.63000 -1.0 2.0
   78    77    80    82   0.01300  1.0 1.0
   78    77    80    82   0.97950 -1.0 2.0
   78    77    80    82  -0.55700  1.0 3.0
   78    81    84    56   1.63200 -1.0 2.0
   79    78    81    57   3.62500 -1.0 2.0
   79    78    81    84   3.62500 -1.0 2.0
   81    57    69    70   3.62500 -1.0 2.0
   81    57   -69    75   3.62500 -1.0 2.0
   81    84   -56    52  -0.25600  1.0 1.0
   81    84   -56    52  -0.40050 -1.0 2.0
   81    84   -56    52   0.34700  1.0 3.0
   81    84    56    58  -0.32850  1.0 1.0
   81    84    56    58  -0.35800 -1.0 2.0
   81    84    56    58   0.33950  1.0 3.0
   81    84    56    62  -0.32850  1.0 1.0
   81    84    56    62  -0.35800 -1.0 2.0
   81    84    56    62   0.33950  1.0 3.0
   84    56    58    59   0.23400  1.0 3.0
   84    56    58    60   0.23400  1.0 3.0
   84    56    58    61   0.23400  1.0 3.0
   84    56    62    63   0.23400  1.0 3.0
   84    56    62    64   0.23400  1.0 3.0
   84    56    62    65   0.23400  1.0 3.0
   56    52   -55    57   7.00000 -1.0 2.0
   56    52    55    66   7.00000 -1.0 2.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    65   0.15000  1.0 3.0
   62    56    58    59   0.15000  1.0 3.0
   62    56    58    60   0.15000  1.0 3.0
   62    56    58    61   0.15000  1.0 3.0
   80    77    78    79   3.62500 -1.0 2.0
   80    77    78    81   3.62500 -1.0 2.0
   80    82    85    86   0.00000  1.0 1.0
   80    82    85    87   0.00000  1.0 1.0
   80    82    85    88   0.00000  1.0 1.0
   83    82    85    86   0.00000  1.0 1.0
   83    82    85    87   0.00000  1.0 1.0
   83    82    85    88   0.00000  1.0 1.0
   66    55    57    69  -0.02500  1.0 1.0
   66    55    57    69  -0.32150 -1.0 2.0
   66    55    57    69  -0.01500  1.0 3.0
   66    55    57    81  -0.02500  1.0 1.0
   66    55    57    81  -0.32150 -1.0 2.0
   66    55    57    81  -0.01500  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    74   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   45    53    44    43   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   50    52    49    47   4.00000 -1.0 2.0
   53    51    50    49   1.10000 -1.0 2.0
   50    54    53    44   1.10000 -1.0 2.0
   49    56    52    55   1.10000 -1.0 2.0
   57    66    55    52   1.10000 -1.0 2.0
   69    81    57    55   4.00000 -1.0 2.0
   75    70    69    57   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   78    80    77    75   4.00000 -1.0 2.0
   81    79    78    77   1.10000 -1.0 2.0
   78    84    81    57   4.00000 -1.0 2.0
   80    85    82    83  10.50000 -1.0 2.0
END
