* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    162    247     480
    1     0 S   NP   _N1_     1    29.19701    92.95076   -25.55779
    2     1 S   H    _HN1     2     1.02787   119.54167   -90.96847
    3     1 S   H    _H1_     3     1.02950    87.48154    18.76017
    4     1 S   H    _H2_     4     1.02830    20.03083  -149.36085
    5     1 S   CT   _CA1     5     1.50110   115.57118   130.23265
    6     5 S   HC   _HA1     6     1.09572   105.19777    80.41112
    7     5 S   CO3  _C1_     7     1.53790   112.46529   -39.84139
    8     7 S   O2Z  _O11     8     1.26373   115.00725   -42.50442
    9     7 S   O2Z  _O12     9     1.26239   114.94693   136.64519
   10     5 S   CT   _CB1    10     1.53082   107.42935  -161.58836
   11    10 S   HC   HB11    11     1.09833   109.39082   -49.57582
   12    10 S   HC   HB12    12     1.09813   110.44085    67.03749
   13    10 S   CT   _CG1    13     1.52993   112.60025  -170.54366
   14    13 S   HC   HG11    14     1.09581   110.63901   -65.46936
   15    13 S   HC   HG12    15     1.09669   109.78320    53.76487
   16    13 S   C    _CD1    16     1.51797   112.21789   174.24224
   17    16 S   O    _OE1    17     1.22736   123.27905     7.29181
   18    16 S   N    _N2_    18     1.38655   111.67931  -172.90422
   19    18 S   H    _HN2    19     1.01584   118.97585     1.69628
   20    18 S   CT1  _CA2    20     1.46160   123.34196   177.49548
   21    20 S   HC   _HA2    21     1.09751   109.32873     1.35292
   22    20 S   C    _C2_    22     1.53519   108.74270  -114.02203
   23    22 S   O    _O2_    23     1.23048   122.28063  -148.76362
   24    20 S   CT   _CB2    32     1.53265   111.65587   123.25230
   25    24 S   HC   HB21    33     1.09589   110.42066    55.68981
   26    24 S   HC   HB22    34     1.09303   109.96432   174.60853
   27    22 S   N    _N3_    24     1.38328   113.68113    38.78170
   28    27 S   H    _HN3    25     1.01588   119.57233    -3.52503
   29    24 S   S    _SG2    35     1.82759   111.42470   -64.84618
   30    27 S   CT   _CA3    26     1.45285   123.21362   177.00500
   31    30 S   HC   HA31    27     1.09549   107.52701   -64.11186
   32    30 S   HC   HA32    28     1.09556   107.96876    52.32794
   33    29 S   CT   _C18    36     1.85619    99.87185  -170.08519
   34    33 S   HC   _H3_    37     1.09834   102.72307   -21.96956
   35    30 S   CO3  _C3_    29     1.52959   114.06477   174.30742
   36    35 S   O2Z  _O31    30     1.26377   116.05783    -0.75821
   37    35 S   O2Z  _O32    31     1.26424   114.42211   179.30170
   38    33 S   CT   _C16    38     1.55989   115.09549    93.88388
   39    38 S   HC   _H40    39     1.08657   108.35022   140.53742
   40    33 S   CT   _C19    63     1.58359   110.78414  -132.93418
   41    38 S   CT   _C15    40     1.54548   120.86149    11.28350
   42    41 S   HC   _H39    41     1.09204   113.58496    19.21476
   43    40 S   CT   _C23    64     1.54587   112.97611   172.26739
   44    43 S   HC   _H51    65     1.09604   110.27916  -164.54794
   45    43 S   HC   _H52    66     1.09239   112.48603    74.24838
   46    40 S   OH   _O24    69     1.45708   104.84154    59.90150
   47    46 S   HO   _H53    70     0.97357   107.11783   -57.96389
   48    41 S   CM   _C6_    42     1.49453   100.45145   -97.58779
   49    41 S   CT   _C17    49     1.56038   114.88813   144.03399
   50    49 S   HC   _H41    50     1.09909   108.57298   146.83700
   51    43 S   OH   _O26    67     1.42498   110.88907   -45.95835
   52    51 S   HO   _H55    68     0.97234   107.12256  -177.19467
   53    48 S   CO4  _C7_    43     1.46966   109.83402   -20.81266
   54    53 S   O    _O21    44     1.21694   127.20359  -169.42623
   55    48 S   CM   _C8_    46     1.33602   128.06958   156.14616
   56    55 S   HC   _H30    47     1.08498   120.76316     1.60254
   57    55 S   HC   _H31    48     1.08516   121.74797  -178.21031
   58    49 S   CT   _C13    51     1.55397   114.09934   -94.59198
   59    58 S   HC   _H35    52     1.09841   106.98754   -88.17421
   60    58 S   HC   _H36    53     1.09709   110.74509   157.02917
   61    49 S   OS   _O27    75     1.44675   109.71926    29.05310
   62    38 S   OS   _O23    45     1.45855   107.26865  -108.71951
   63    58 S   CM   _C5_    54     1.51525   116.17595    32.47250
   64    61 S   CO4  _C11    76     1.35904   118.29423   152.13699
   65    64 S   O    _O22    77     1.22211   125.90760     0.79031
   66    63 S   CM   _C4_    55     1.34500   120.35362    62.54144
   67    66 S   HC   _H29    56     1.08863   118.29057     5.41783
   68    63 S   CT   _C20    71     1.50488   115.27791  -115.29359
   69    68 S   HC   _H43    72     1.09534   109.89273   -57.60651
   70    68 S   HC   _H44    73     1.09267   113.31582  -177.10951
   71    68 S   HC   _H45    74     1.09442   110.47211    61.87750
   72    64 S   CM   _C10    78     1.49643   109.22774  -179.63096
   73    66 S   CT   _C12    57     1.49379   126.83727  -170.86434
   74    73 S   HC   _H33    58     1.09661   108.74757  -166.24676
   75    73 S   HC   _H34    59     1.09734   109.29623   -52.63097
   76    72 S   CM   _C9_    79     1.34667   115.89827  -165.69918
   77    76 S   HC   _H32    80     1.08972   119.15147     0.57232
   78    72 S   CT   _C21    86     1.50082   118.06778    15.25666
   79    78 S   HC   _H46    87     1.09520   110.41947   -68.60100
   80    78 S   HC   _H47    88     1.09187   113.36746   170.68561
   81    78 S   HC   _H48    89     1.09553   110.32523    51.36661
   82    73 S   CT   _C14    60     1.53828   115.02296    70.30754
   83    82 S   HC   _H37    61     1.10080   105.35397  -176.64526
   84    82 S   HC   _H38    62     1.09478   109.22194   -66.16873
   85    76 S   CT   _C22    81     1.49578   127.68289   179.42529
   86    85 S   HC   _H49    82     1.09109   113.91119    -0.57811
   87    85 S   HC   _H50    83     1.09480   109.38007  -121.77304
   88    85 S   OH   _O25    84     1.42096   108.37784   120.20280
   89    88 S   HO   _H54    85     0.97229   107.04485   177.78919
  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  10   5   4   3
  20   8   2   1   1  16   7  16  16   8  10   5   4   6   1  10
  14   6   2   1   5   2   3   1   1  12   5   4   6   1  10   9
   3  11   5   4   2   1   1  10   5   4   3  10   5   4   2   1
   1   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    62    82    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    48    53    62    49    73    82    83    84    40    43    44    45    51    46    47  
   38    39    41    62    82    40    43    46  
   36    37  
   37  
    0  
   39    41    42    48    53    54    62    55    49    50    58    82    40    43    46    61  
   41    42    48    53    62    49    40  
   43    44    45    51    52    46    47    41    62    66    73    74    75    82    83    84  
   42    48    53    54    62    55    56    57    49    50    58    59    60    63    61    64  
   48    53    62    55    49    50    58    61  
   44    45    51    52    46    47    73    82    83    84  
   45    51    52    46    82  
   51    52    46    82  
   47    51    73    82    83    84  
   82  
   53    54    62    55    56    57    49    50    58    61  
   50    58    59    60    63    66    68    61    64    65    72    53    55    62  
   58    59    60    63    61    64  
   52    82  
    0  
   54    62    55    56    57  
   62    55  
   56    57    62  
   57  
    0  
   59    60    63    66    67    73    68    69    70    71    61    64  
   60    63    66    68    61  
   63    66    68    61  
   64    65    72    76    78    63  
    0  
   66    67    73    74    75    82    68    69    70    71  
   65    72    76    77    85    78    79    80    81  
   72    76    78  
   67    73    74    75    82    83    84    68    69    70    71  
   73    74    75    82    68  
   69    70    71    73  
   70    71  
   71  
    0  
   76    77    85    86    87    88    78    79    80    81  
   74    75    82    83    84  
   75    82    83    84  
   82    83    84  
   77    85    86    87    88    89    78    79    80    81  
   85    86    87    88    78  
   79    80    81    85  
   80    81  
   81  
    0  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    62   320.000  1.410
   41    42   340.000  1.090
   41    48   317.000  1.510
   41    49   268.000  1.529
   48    53   320.000  1.462
   48    55   549.000  1.340
   53    54   570.000  1.229
   53    62   214.000  1.327
   55    56   340.000  1.080
   55    57   340.000  1.080
   49    50   340.000  1.090
   49    58   268.000  1.529
   49    61   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   317.000  1.510
   63    66   549.000  1.340
   63    68   317.000  1.510
   66    67   340.000  1.080
   66    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    40   268.000  1.529
   40    43   268.000  1.529
   40    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   320.000  1.410
   51    52   553.000  0.945
   46    47   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   61    64   214.000  1.327
   64    65   570.000  1.229
   64    72   320.000  1.462
   72    76   549.000  1.340
   72    78   317.000  1.510
   76    77   340.000  1.080
   76    85   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    62    50.00000  109.50000
   33    40    82    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    48    70.00000  112.02700
   38    41    49    58.35000  112.70000
   38    62    53    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    48    53    65.00000  116.34900
   41    48    55    70.00000  124.00000
   41    49    50    37.50000  110.70000
   41    49    58    58.35000  112.70000
   41    49    61    50.00000  109.50000
   48    41    42    35.00000  109.50000
   48    53    54    80.00000  123.72100
   48    53    62    90.00000  111.29400
   48    55    56    35.00000  120.00000
   48    55    57    35.00000  120.00000
   62    38    39    35.00000  109.50000
   62    38    41    50.00000  109.50000
   62    53    54    83.00000  123.40000
   55    48    53    65.00000  118.96000
   57    55    56    35.00000  117.00000
   49    41    42    37.50000  110.70000
   49    41    48    70.00000  112.02700
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    63    70.00000  112.02700
   49    61    64    83.00000  116.90000
   58    49    50    37.50000  110.70000
   58    63    66    70.00000  124.00000
   58    63    68    65.00000  117.92700
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   63    66    67    35.00000  120.00000
   63    66    73    70.00000  124.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    82    70.00000  112.02700
   73    66    67    35.00000  117.00000
   73    82    83    37.50000  110.70000
   73    82    84    37.50000  110.70000
   73    82    40    58.35000  112.70000
   75    73    74    33.00000  107.80000
   82    73    74    37.50000  110.70000
   82    73    75    37.50000  110.70000
   82    40    43    58.35000  112.70000
   82    40    46    50.00000  109.50000
   84    82    83    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    82    83    37.50000  110.70000
   40    82    84    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    51    50.00000  109.50000
   40    46    47    55.00000  108.50000
   43    51    52    55.00000  108.50000
   45    43    44    33.00000  107.80000
   51    43    44    35.00000  109.50000
   51    43    45    35.00000  109.50000
   46    40    43    50.00000  109.50000
   68    63    66    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   61    49    50    35.00000  109.50000
   61    49    58    50.00000  109.50000
   61    64    65    83.00000  123.40000
   61    64    72    90.00000  111.29400
   64    72    76    65.00000  118.96000
   64    72    78    65.00000  116.34900
   72    64    65    80.00000  123.72100
   72    76    77    35.00000  120.00000
   72    76    85    70.00000  124.00000
   72    78    79    35.00000  109.50000
   72    78    80    35.00000  109.50000
   72    78    81    35.00000  109.50000
   76    85    86    35.00000  109.50000
   76    85    87    35.00000  109.50000
   76    85    88    90.00000  110.39200
   85    76    77    35.00000  117.00000
   85    88    89    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   78    72    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    62   0.56750  1.0 1.0
   29    33    38    62  -0.07550 -1.0 2.0
   29    33    38    62   0.20000  1.0 3.0
   29    33    40    82   0.44750  1.0 1.0
   29    33    40    82  -0.17800 -1.0 2.0
   29    33    40    82   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    48   0.34400  1.0 1.0
   33    38    41    48   0.09450 -1.0 2.0
   33    38    41    48   0.11100  1.0 3.0
   33    38    41    49   0.56750  1.0 1.0
   33    38    41    49  -0.07550 -1.0 2.0
   33    38    41    49   0.20000  1.0 3.0
   33    38    62    53  -0.25900  1.0 1.0
   33    38    62    53  -0.47000 -1.0 2.0
   33    38    62    53   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    51   0.86500  1.0 1.0
   33    40    43    51  -0.17500 -1.0 2.0
   33    40    43    51   0.20800  1.0 3.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    62   0.23400  1.0 3.0
   34    33    40    82   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    46   0.23400  1.0 3.0
   38    33    40    82   0.56750  1.0 1.0
   38    33    40    82  -0.07550 -1.0 2.0
   38    33    40    82   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    46   0.86500  1.0 1.0
   38    33    40    46  -0.17500 -1.0 2.0
   38    33    40    46   0.20800  1.0 3.0
   38    41   -48    53   0.09700  1.0 1.0
   38    41   -48    53   0.15600 -1.0 2.0
   38    41   -48    53  -0.50800  1.0 3.0
   38    41    48    55   0.09850  1.0 1.0
   38    41    48    55   0.15250 -1.0 2.0
   38    41    48    55  -0.50650  1.0 3.0
   38    41    49    50   0.15000  1.0 3.0
   38    41    49    58   0.56750  1.0 1.0
   38    41    49    58  -0.07550 -1.0 2.0
   38    41    49    58   0.20000  1.0 3.0
   38    41    49    61   0.62750  1.0 1.0
   38    41    49    61  -0.30950 -1.0 2.0
   38    41    49    61   0.27300  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    48   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    62    53   0.08050  1.0 3.0
   41    38   -62    53  -0.25900  1.0 1.0
   41    38   -62    53  -0.47000 -1.0 2.0
   41    38   -62    53   0.11750  1.0 3.0
   41    48    53    54  -0.64400  1.0 1.0
   41    48    53    54   0.26850 -1.0 2.0
   41    48   -53    62  -0.15000  1.0 1.0
   41    48   -53    62   0.89550 -1.0 2.0
   41    48   -53    62  -0.06900  1.0 3.0
   41    48    55    56   7.00000 -1.0 2.0
   41    48    55    57   7.00000 -1.0 2.0
   41    49    58    59   0.15000  1.0 3.0
   41    49    58    60   0.15000  1.0 3.0
   41    49    58    63   0.34400  1.0 1.0
   41    49    58    63   0.09450 -1.0 2.0
   41    49    58    63   0.11100  1.0 3.0
   41    49    61    64  -0.25900  1.0 1.0
   41    49    61    64  -0.47000 -1.0 2.0
   41    49    61    64   0.11750  1.0 3.0
   42    41    48    53   0.15000  1.0 3.0
   42    41    48    55   0.00000  1.0 1.0
   42    41    49    50   0.15000  1.0 3.0
   42    41    49    58   0.15000  1.0 3.0
   42    41    49    61   0.23400  1.0 3.0
   48    41    49    50   0.15000  1.0 3.0
   48    41    49    58   0.34400  1.0 1.0
   48    41    49    58   0.09450 -1.0 2.0
   48    41    49    58   0.11100  1.0 3.0
   48    41    49    61   0.61850  1.0 1.0
   48    41    49    61  -0.22750 -1.0 2.0
   48    41    49    61   0.15300  1.0 3.0
   48    53   -62    38   2.00000 -1.0 2.0
   53    48    55    56   7.00000 -1.0 2.0
   53    48    55    57   7.00000 -1.0 2.0
   54    53    62    38   3.00000 -1.0 2.0
   62    38    41    42   0.23400  1.0 3.0
   62    38   -41    48   0.61850  1.0 1.0
   62    38   -41    48  -0.22750 -1.0 2.0
   62    38   -41    48   0.15300  1.0 3.0
   62    38    41    49   0.62750  1.0 1.0
   62    38    41    49  -0.30950 -1.0 2.0
   62    38    41    49   0.27300  1.0 3.0
   55    48    53    54   1.00000 -1.0 2.0
   55    48    53    62  -0.56150  1.0 1.0
   55    48    53    62   2.19150 -1.0 2.0
   49    41    48    53   0.09700  1.0 1.0
   49    41    48    53   0.15600 -1.0 2.0
   49    41    48    53  -0.50800  1.0 3.0
   49    41    48    55   0.09850  1.0 1.0
   49    41    48    55   0.15250 -1.0 2.0
   49    41    48    55  -0.50650  1.0 3.0
   49    58    63    66   0.09850  1.0 1.0
   49    58    63    66   0.15250 -1.0 2.0
   49    58    63    66  -0.50650  1.0 3.0
   49    58    63    68   0.46850  1.0 1.0
   49    58    63    68   0.08550 -1.0 2.0
   49    58    63    68   0.09800  1.0 3.0
   49    61    64    65   3.00000 -1.0 2.0
   49    61    64    72   2.00000 -1.0 2.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    63   0.15000  1.0 3.0
   50    49    61    64   0.08050  1.0 3.0
   58    49    61    64  -0.25900  1.0 1.0
   58    49    61    64  -0.47000 -1.0 2.0
   58    49    61    64   0.11750  1.0 3.0
   58    63    66    67   7.00000 -1.0 2.0
   58    63    66    73   7.00000 -1.0 2.0
   58    63    68    69   0.34800  1.0 3.0
   58    63    68    70   0.34800  1.0 3.0
   58    63    68    71   0.34800  1.0 3.0
   59    58    63    66   0.00000  1.0 1.0
   59    58    63    68   0.34800  1.0 3.0
   60    58    63    66   0.00000  1.0 1.0
   60    58    63    68   0.34800  1.0 3.0
   63    66    73    74   0.00000  1.0 1.0
   63    66    73    75   0.00000  1.0 1.0
   63    66    73    82   0.09850  1.0 1.0
   63    66    73    82   0.15250 -1.0 2.0
   63    66    73    82  -0.50650  1.0 3.0
   66    63    68    69   0.00000  1.0 1.0
   66    63    68    70   0.00000  1.0 1.0
   66    63    68    71   0.00000  1.0 1.0
   66    73    82    83   0.15000  1.0 3.0
   66    73    82    84   0.15000  1.0 3.0
   66    73    82    40   0.34400  1.0 1.0
   66    73    82    40   0.09450 -1.0 2.0
   66    73    82    40   0.11100  1.0 3.0
   67    66    73    74   0.33100  1.0 3.0
   67    66    73    75   0.33100  1.0 3.0
   67    66    73    82   0.00000  1.0 1.0
   73    82    40    33   0.56750  1.0 1.0
   73    82    40    33  -0.07550 -1.0 2.0
   73    82    40    33   0.20000  1.0 3.0
   73    82    40    43   0.56750  1.0 1.0
   73    82    40    43  -0.07550 -1.0 2.0
   73    82    40    43   0.20000  1.0 3.0
   73    82    40    46   0.86500  1.0 1.0
   73    82    40    46  -0.17500 -1.0 2.0
   73    82    40    46   0.20800  1.0 3.0
   74    73    82    83   0.15000  1.0 3.0
   74    73    82    84   0.15000  1.0 3.0
   74    73    82    40   0.15000  1.0 3.0
   75    73    82    83   0.15000  1.0 3.0
   75    73    82    84   0.15000  1.0 3.0
   75    73    82    40   0.15000  1.0 3.0
   82    40    43    44   0.15000  1.0 3.0
   82    40    43    45   0.15000  1.0 3.0
   82    40    43    51   0.86500  1.0 1.0
   82    40    43    51  -0.17500 -1.0 2.0
   82    40    43    51   0.20800  1.0 3.0
   82    40    46    47  -0.11600  1.0 1.0
   82    40    46    47  -0.09450 -1.0 2.0
   82    40    46    47   0.21250  1.0 3.0
   83    82    40    33   0.15000  1.0 3.0
   83    82    40    43   0.15000  1.0 3.0
   83    82    40    46   0.23400  1.0 3.0
   84    82    40    33   0.15000  1.0 3.0
   84    82    40    43   0.15000  1.0 3.0
   84    82    40    46   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    62   0.62750  1.0 1.0
   40    33    38    62  -0.30950 -1.0 2.0
   40    33    38    62   0.27300  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   43    40    46    47  -0.11600  1.0 1.0
   43    40    46    47  -0.09450 -1.0 2.0
   43    40    46    47   0.21250  1.0 3.0
   44    43    51    52   0.19450  1.0 3.0
   45    43    51    52   0.19450  1.0 3.0
   46    40    43    44   0.23400  1.0 3.0
   46    40    43    45   0.23400  1.0 3.0
   46    40    43    51   3.75450  1.0 1.0
   68    63    66    67   7.00000 -1.0 2.0
   68    63    66    73   7.00000 -1.0 2.0
   61    49    58    59   0.23400  1.0 3.0
   61    49    58    60   0.23400  1.0 3.0
   61    49    58    63   0.61850  1.0 1.0
   61    49    58    63  -0.22750 -1.0 2.0
   61    49    58    63   0.15300  1.0 3.0
   61    64    72    76  -0.56150  1.0 1.0
   61    64    72    76   2.19150 -1.0 2.0
   61    64    72    78  -0.15000  1.0 1.0
   61    64    72    78   0.89550 -1.0 2.0
   61    64    72    78  -0.06900  1.0 3.0
   64    72    76    77   7.00000 -1.0 2.0
   64    72    76    85   7.00000 -1.0 2.0
   64    72    78    79   0.15000  1.0 3.0
   64    72    78    80   0.15000  1.0 3.0
   64    72    78    81   0.15000  1.0 3.0
   65    64    72    76   1.00000 -1.0 2.0
   65    64    72    78  -0.64400  1.0 1.0
   65    64    72    78   0.26850 -1.0 2.0
   72    76    85    86   0.00000  1.0 1.0
   72    76    85    87   0.00000  1.0 1.0
   72    76    85    88   0.67800  1.0 1.0
   72    76    85    88   0.47050 -1.0 2.0
   72    76    85    88  -0.62500  1.0 3.0
   76    72    78    79   0.00000  1.0 1.0
   76    72    78    80   0.00000  1.0 1.0
   76    72    78    81   0.00000  1.0 1.0
   76    85    88    89  -0.07800  1.0 1.0
   76    85    88    89  -0.21500 -1.0 2.0
   76    85    88    89  -0.03150  1.0 3.0
   77    76    85    86   0.33100  1.0 3.0
   77    76    85    87   0.33100  1.0 3.0
   77    76    85    88   0.00000  1.0 1.0
   86    85    88    89   0.19450  1.0 3.0
   87    85    88    89   0.19450  1.0 3.0
   78    72    76    77   7.00000 -1.0 2.0
   78    72    76    85   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   41    53    48    55   1.10000 -1.0 2.0
   48    62    53    54  10.50000 -1.0 2.0
   56    57    55    48   1.10000 -1.0 2.0
   58    68    63    66   1.10000 -1.0 2.0
   73    67    66    63   1.10000 -1.0 2.0
   61    72    64    65  10.50000 -1.0 2.0
   64    78    72    76  15.00000 -1.0 2.0
   85    77    76    72  15.00000 -1.0 2.0
END
