* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    153    241     452
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02055    48.09752  -129.20280
    3     1 S   H    _H1_     3     1.02128   105.66273   -27.98194
    4     1 S   H    _H2_     4     1.02057    64.36941    75.62095
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   CT   _C18    36     1.84640    97.34391  -178.14122
   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   CO4  _C17    37     1.53494   106.25732    59.97540
   38    37 S   O    _O36    38     1.23164   121.85757    50.37879
   39    33 S   CT   _C21    75     1.53424   109.29322   176.36902
   40    39 S   HC   _H19    76     1.09417   107.84931    64.79606
   41    37 S   CA   _C7_    39     1.48586   119.21360  -132.29980
   42    39 S   CT   _C22    77     1.52405   110.28910  -176.62948
   43    42 S   HC   _H20    78     1.09603   111.43110    61.93780
   44    42 S   HC   _H21    79     1.09450   110.99171   -58.48440
   45    42 S   HC   _H22    80     1.09545   110.45311  -178.01969
   46    39 S   CT   _C23    81     1.52372   110.21613   -53.75407
   47    46 S   HC   _H23    82     1.09523   111.51873   -61.95230
   48    46 S   HC   _H24    83     1.09540   110.43774   177.94177
   49    46 S   HC   _H25    84     1.09516   110.96161    58.50454
   50    41 S   CA   _C6_    40     1.41360   120.38991     8.54424
   51    50 S   CA   _C5_    41     1.40901   118.37478  -177.09418
   52    50 S   CM   _C20    69     1.47395   119.84226     1.69350
   53    51 S   CA   _C10    42     1.38741   119.78071    -2.03481
   54    51 S   CT   _C4_    65     1.49811   122.95864   179.49759
   55    54 S   HC   _H4_    66     1.09579   110.09182    89.96562
   56    54 S   HC   _H5_    67     1.09590   111.09713  -149.49340
   57    54 S   HC   _H6_    68     1.09624   111.01671   -30.50707
   58    33 S   CM   _C19    70     1.50938   108.62155   -62.47023
   59    52 S   OH   _O37    73     1.38440   118.89422   172.52215
   60    59 S   HO   _H17    74     0.96235   109.67259  -179.97202
   61    53 S   CA   _C9_    43     1.38398   120.45703     0.60231
   62    58 S   OH   _O38    71     1.38922   116.58537   -53.89548
   63    62 S   HO   _H18    72     0.95879   109.31216     0.18131
   64    41 S   CA   _C8_    44     1.40396   118.16075  -170.54080
   65    61 S   OS   _O33    47     1.37169   113.66144   179.52112
   66    64 S   OH   _O35    45     1.35958   123.71590    -0.76310
   67    66 S   HO   _H16    46     0.97098   110.35386    -0.09891
   68    65 S   CO   _C12    48     1.45074   103.80074    15.02505
   69    68 S   HC   _H3_    49     1.09128   107.27218  -146.45681
   70    53 S   CT   _C11    50     1.49672   130.26162   177.46333
   71    68 S   OH   _O34    63     1.42794   109.88570    96.15448
   72    71 S   HO   _H7_    64     0.97090   106.81194    60.17398
   73    70 S   CT   _C13    51     1.53736   109.35730   -78.50994
   74    73 S   HC   _H8_    52     1.08748   109.53433   179.96574
   75    73 S   HC   _H9_    53     1.08652   109.54616    60.01698
   76    73 S   HC   _H10    54     1.08673   109.57119   -60.04389
   77    70 S   CT   _C14    55     1.52966   113.92697    45.27262
   78    77 S   HC   _H11    56     1.09069   108.35052    40.00869
   79    77 S   HC   _H12    57     1.08990   108.52826   -76.72164
   80    77 S   CM   _C15    58     1.49267   110.80893   163.04860
   81    80 S   HC   _H13    59     1.08755   117.65836    60.24486
   82    80 S   CM   _C16    60     1.33741   123.69317  -120.93996
   83    82 S   HC   _H14    61     1.08446   121.55874  -180.00000
   84    82 S   HC   _H15    62     1.08436   120.44390    -0.12972
  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  11   5   4   3
  20   2   1   1  14   5  13   9  12   8   3   2   1   4   2   1
   1  15  15   8  20   5   2   1   1   4   2   1  10   1   1   5
   8   1   1  12   5  12   3   1   7   3   2   1   7   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    58    62    39    40    42    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    50    64    52    58    62    63    59    39    40    42    43    44    45    46    47    48    49  
   35    36  
   36  
    0  
   38    41    50    51    61    64    66    52    58    62    39    40    42    46  
   41    50    64    58    39  
   40    42    43    44    45    46    47    48    49    41    52    58    62  
   42    43    44    45    46    47    48    49    58  
   50    51    53    61    64    66    67    65    54    52    58    59  
   43    44    45    46    47    48    49    58  
   44    45    46  
   45    46  
   46  
   47    48    49    58  
   48    49  
   49  
    0  
   51    53    61    64    66    70    54    55    56    57    52    58    62    59    60  
   53    61    64    65    68    70    73    77    54    55    56    57    52    58    59  
   58    62    63    59    60    53    54    64  
   61    64    66    65    68    69    70    73    74    75    76    77    78    79    80    71    54    55    56    57  
   55    56    57    61    70  
   56    57  
   57  
    0  
   62    63    59    60  
   60    62  
    0  
   64    66    67    65    68    69    70    73    77    71  
   63  
    0  
   66    67    65    68    70  
   68    69    70    73    77    71    72    66  
   67  
    0  
   69    70    73    74    75    76    77    78    79    80    71    72  
   70    73    77    71    72  
   73    74    75    76    77    78    79    80    81    82    71    72  
   72    73    77  
    0  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80    81    82    83    84  
   79    80    81    82  
   80    81    82  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   0.167500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   59   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0300   0.115000   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    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   317.000  1.522
   33    58   317.000  1.510
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    50   469.000  1.400
   41    64   469.000  1.400
   50    51   469.000  1.400
   50    52   320.000  1.460
   51    53   469.000  1.400
   51    54   317.000  1.510
   53    61   469.000  1.400
   53    70   317.000  1.510
   61    64   469.000  1.400
   61    65   450.000  1.364
   64    66   450.000  1.364
   66    67   553.000  0.945
   65    68   320.000  1.380
   68    69   340.000  1.090
   68    70   250.000  1.527
   68    71   380.000  1.407
   70    73   268.000  1.529
   70    77   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   317.000  1.510
   80    81   340.000  1.080
   80    82   549.000  1.340
   82    83   340.000  1.080
   82    84   340.000  1.080
   71    72   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   52    58   549.000  1.340
   52    59   510.000  1.338
   58    62   510.000  1.338
   62    63   553.000  0.945
   59    60   553.000  0.945
   39    40   340.000  1.090
   39    42   268.000  1.529
   39    46   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  110.18000
   29    33    58    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    58    52    70.00000  124.00000
   33    58    62    90.00000  109.34000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   33    39    46    58.35000  112.70000
   37    41    50    60.00000  119.52600
   37    41    64    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    50    51    63.00000  120.00000
   41    50    52    60.00000  120.93500
   41    64    61    63.00000  120.00000
   41    64    66    70.00000  120.00000
   50    51    53    63.00000  120.00000
   50    51    54    70.00000  120.00000
   50    52    58    60.00000  123.20500
   50    52    59    85.00000  114.86500
   51    53    61    63.00000  120.00000
   51    53    70    70.00000  120.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   53    61    64    63.00000  120.00000
   53    61    65    70.00000  120.00000
   53    70    68    70.00000  112.17500
   53    70    73    70.00000  112.17500
   53    70    77    70.00000  112.17500
   61    64    66    70.00000  120.00000
   61    65    68   100.00000  112.36700
   64    41    50    63.00000  120.00000
   64    66    67    35.00000  113.00000
   65    61    64    70.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    90.00000  108.56700
   65    68    71   110.00000  112.08000
   68    70    73    75.00000  109.43000
   68    70    77    75.00000  109.43000
   68    71    72    70.00000  107.92000
   70    53    61    70.00000  120.00000
   70    68    69    45.00000  112.01100
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    80    70.00000  112.02700
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    70    73    58.35000  112.70000
   77    80    81    35.00000  117.00000
   77    80    82    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    82    83    35.00000  120.00000
   80    82    84    35.00000  120.00000
   82    80    81    35.00000  120.00000
   84    82    83    35.00000  117.00000
   71    68    69    60.00000  108.02500
   71    68    70    90.00000  110.19100
   54    51    53    70.00000  120.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   52    50    51    60.00000  120.93500
   52    58    62    80.00000  121.38400
   52    59    60    70.00000  107.45700
   58    33    37    70.00000  109.06800
   58    62    63    70.00000  107.45700
   59    52    58    80.00000  121.38400
   39    33    37    63.00000  111.10000
   39    33    58    70.00000  112.02700
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   39    46    47    37.50000  110.70000
   39    46    48    37.50000  110.70000
   39    46    49    37.50000  110.70000
   42    39    40    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    39    40    37.50000  110.70000
   46    39    42    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    58  -0.62250  1.0 1.0
   24    29    33    58  -0.38450 -1.0 2.0
   24    29    33    58   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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    58    52   0.42700  1.0 1.0
   29    33    58    52  -0.70350 -1.0 2.0
   29    33    58    52  -0.43150  1.0 3.0
   29    33    58    62   0.09700  1.0 1.0
   29    33    58    62   0.15600 -1.0 2.0
   29    33    58    62  -0.50800  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    37    41    50   2.26350  1.0 1.0
   33    37    41    50   0.76750 -1.0 2.0
   33    37    41    50   0.22500  1.0 3.0
   33    37    41    64   2.26350  1.0 1.0
   33    37    41    64   0.76750 -1.0 2.0
   33    37    41    64   0.22500  1.0 3.0
   33    58    62    63   2.00000 -1.0 2.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.15000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    48   0.15000  1.0 3.0
   33    39    46    49   0.15000  1.0 3.0
   37    33    58    52  -0.51250  1.0 1.0
   37    33    58    52  -0.88800 -1.0 2.0
   37    33    58    52   0.08850  1.0 3.0
   37    33    58    62   0.09700  1.0 1.0
   37    33    58    62   0.15600 -1.0 2.0
   37    33    58    62  -0.50800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    33    39    46  -0.95700  1.0 1.0
   37    33    39    46  -0.18200 -1.0 2.0
   37    33    39    46   0.29450  1.0 3.0
   37    41    50    51   3.62500 -1.0 2.0
   37    41   -50    52   3.62500 -1.0 2.0
   37    41    64    61   3.62500 -1.0 2.0
   37    41    64    66   3.62500 -1.0 2.0
   38    37    41    50   1.05000 -1.0 2.0
   38    37    41    64   1.05000 -1.0 2.0
   41    50    51    53   3.62500 -1.0 2.0
   41    50    51    54   3.62500 -1.0 2.0
   41    50    52    58   0.15800  1.0 1.0
   41    50    52    58   1.85350 -1.0 2.0
   41    50    52    58  -0.48700  1.0 3.0
   41    50    52    59  -0.01750  1.0 1.0
   41    50    52    59  -0.32000 -1.0 2.0
   41    50    52    59   0.00600  1.0 3.0
   41    64    66    67   0.84100 -1.0 2.0
   50    41    64    61   3.62500 -1.0 2.0
   50    41    64    66   3.62500 -1.0 2.0
   50    51   -53    61   3.62500 -1.0 2.0
   50    51    53    70   3.62500 -1.0 2.0
   50    51    54    55   0.00000  1.0 1.0
   50    51    54    56   0.00000  1.0 1.0
   50    51    54    57   0.00000  1.0 1.0
   50    52   -58    33   7.00000 -1.0 2.0
   50    52    58    62   7.00000 -1.0 2.0
   50    52    59    60   2.00000 -1.0 2.0
   51    50    52    58   0.15800  1.0 1.0
   51    50    52    58   1.85350 -1.0 2.0
   51    50    52    58  -0.48700  1.0 3.0
   51    50    52    59  -0.01750  1.0 1.0
   51    50    52    59  -0.32000 -1.0 2.0
   51    50    52    59   0.00600  1.0 3.0
   51    53    61    64   3.62500 -1.0 2.0
   51    53    61    65   3.62500 -1.0 2.0
   51    53    70    68   0.04150 -1.0 2.0
   51    53    70    73   0.04150 -1.0 2.0
   51    53    70    77   0.04150 -1.0 2.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    56   0.00000  1.0 1.0
   53    51    54    57   0.00000  1.0 1.0
   53    61   -64    41   3.62500 -1.0 2.0
   53    61    64    66   3.62500 -1.0 2.0
   53    61   -65    68   1.63200 -1.0 2.0
   53    70    73    74   0.43200  1.0 3.0
   53    70    73    75   0.43200  1.0 3.0
   53    70    73    76   0.43200  1.0 3.0
   53    70    77    78   0.43200  1.0 3.0
   53    70    77    79   0.43200  1.0 3.0
   53    70    77    80   0.21200  1.0 1.0
   53    70    77    80   0.16900 -1.0 2.0
   53    70    77    80  -1.15100  1.0 3.0
   61    53   -70    68   0.04150 -1.0 2.0
   61    53    70    73   0.04150 -1.0 2.0
   61    53    70    77   0.04150 -1.0 2.0
   61    64    66    67   0.84100 -1.0 2.0
   61    65    68    69   0.08050  1.0 3.0
   61    65   -68    70  -0.32850  1.0 1.0
   61    65   -68    70  -0.35800 -1.0 2.0
   61    65   -68    70   0.33950  1.0 3.0
   61    65    68    71  -0.25600  1.0 1.0
   61    65    68    71  -0.40050 -1.0 2.0
   61    65    68    71   0.34700  1.0 3.0
   64    41   -50    51   3.62500 -1.0 2.0
   64    41    50    52   3.62500 -1.0 2.0
   64    61    65    68   1.63200 -1.0 2.0
   65    61    64    41   3.62500 -1.0 2.0
   65    61    64    66   3.62500 -1.0 2.0
   65    68   -70    53  -0.64350  1.0 1.0
   65    68   -70    53  -0.04200 -1.0 2.0
   65    68   -70    53   0.19800  1.0 3.0
   65    68    70    73   0.62750  1.0 1.0
   65    68    70    73  -0.30950 -1.0 2.0
   65    68    70    73   0.27300  1.0 3.0
   65    68    70    77   0.62750  1.0 1.0
   65    68    70    77  -0.30950 -1.0 2.0
   65    68    70    77   0.27300  1.0 3.0
   65    68    71    72  -0.50000  1.0 1.0
   65    68    71    72  -0.73950 -1.0 2.0
   65    68    71    72   0.17150  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70    73    75   0.15000  1.0 3.0
   68    70    73    76   0.15000  1.0 3.0
   68    70    77    78   0.15000  1.0 3.0
   68    70    77    79   0.15000  1.0 3.0
   68    70    77    80   0.34400  1.0 1.0
   68    70    77    80   0.09450 -1.0 2.0
   68    70    77    80   0.11100  1.0 3.0
   69    68    70    53   0.43200  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    70    77   0.15000  1.0 3.0
   69    68    71    72   0.19450  1.0 3.0
   70    53    61    64   3.62500 -1.0 2.0
   70    53   -61    65   3.62500 -1.0 2.0
   70    68    71    72  -0.11600  1.0 1.0
   70    68    71    72  -0.09450 -1.0 2.0
   70    68    71    72   0.21250  1.0 3.0
   70    77    80    81   0.00000  1.0 1.0
   70    77    80    82   0.09850  1.0 1.0
   70    77    80    82   0.15250 -1.0 2.0
   70    77    80    82  -0.50650  1.0 3.0
   73    70    77    78   0.15000  1.0 3.0
   73    70    77    79   0.15000  1.0 3.0
   73    70    77    80   0.34400  1.0 1.0
   73    70    77    80   0.09450 -1.0 2.0
   73    70    77    80   0.11100  1.0 3.0
   77    70    73    74   0.15000  1.0 3.0
   77    70    73    75   0.15000  1.0 3.0
   77    70    73    76   0.15000  1.0 3.0
   77    80    82    83   7.00000 -1.0 2.0
   77    80    82    84   7.00000 -1.0 2.0
   78    77    80    81   0.33100  1.0 3.0
   78    77    80    82   0.00000  1.0 1.0
   79    77    80    81   0.33100  1.0 3.0
   79    77    80    82   0.00000  1.0 1.0
   81    80    82    83   7.00000 -1.0 2.0
   81    80    82    84   7.00000 -1.0 2.0
   71    68    70    53   1.13150  1.0 1.0
   71    68    70    53  -1.01400 -1.0 2.0
   71    68    70    73   0.86500  1.0 1.0
   71    68    70    73  -0.17500 -1.0 2.0
   71    68    70    73   0.20800  1.0 3.0
   71    68    70    77   0.86500  1.0 1.0
   71    68    70    77  -0.17500 -1.0 2.0
   71    68    70    77   0.20800  1.0 3.0
   54    51    53    61   3.62500 -1.0 2.0
   54    51    53    70   3.62500 -1.0 2.0
   52    50    51    53   3.62500 -1.0 2.0
   52    50    51    54   3.62500 -1.0 2.0
   52    58    62    63  -0.66100  1.0 1.0
   52    58    62    63   1.20850 -1.0 2.0
   52    58    62    63  -0.36000  1.0 3.0
   58    33    37    38   0.30150 -1.0 2.0
   58    33   -37    41   0.65300  1.0 1.0
   58    33   -37    41  -0.03850 -1.0 2.0
   58    33   -37    41   0.33900  1.0 3.0
   58    33    39    40   0.15000  1.0 3.0
   58    33    39    42   0.34400  1.0 1.0
   58    33    39    42   0.09450 -1.0 2.0
   58    33    39    42   0.11100  1.0 3.0
   58    33    39    46   0.34400  1.0 1.0
   58    33    39    46   0.09450 -1.0 2.0
   58    33    39    46   0.11100  1.0 3.0
   58    52    59    60  -0.66100  1.0 1.0
   58    52    59    60   1.20850 -1.0 2.0
   58    52    59    60  -0.36000  1.0 3.0
   59    52    58    33   7.00000 -1.0 2.0
   59    52    58    62   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    58    52   0.09850  1.0 1.0
   39    33    58    52   0.15250 -1.0 2.0
   39    33    58    52  -0.50650  1.0 3.0
   39    33    58    62   0.09700  1.0 1.0
   39    33    58    62   0.15600 -1.0 2.0
   39    33    58    62  -0.50800  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    48   0.15000  1.0 3.0
   40    39    46    49   0.15000  1.0 3.0
   42    39    46    47   0.15000  1.0 3.0
   42    39    46    48   0.15000  1.0 3.0
   42    39    46    49   0.15000  1.0 3.0
   46    39    42    43   0.15000  1.0 3.0
   46    39    42    44   0.15000  1.0 3.0
   46    39    42    45   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
   33    41    37    38  10.50000 -1.0 2.0
   50    64    41    37   4.00000 -1.0 2.0
   51    52    50    41   4.00000 -1.0 2.0
   53    54    51    50   4.00000 -1.0 2.0
   61    70    53    51   4.00000 -1.0 2.0
   64    65    61    53   4.00000 -1.0 2.0
   61    66    64    41   4.00000 -1.0 2.0
   77    81    80    82  15.00000 -1.0 2.0
   83    84    82    80  15.00000 -1.0 2.0
   50    59    52    58   1.10000 -1.0 2.0
   33    62    58    52   1.10000 -1.0 2.0
END
