* LIGAND DATABASE FILE (OPLS2005)
*
001      86    90    169    273     500
    1     0 S   NP   _N1_     1    28.77080    95.24737   -20.80303
    2     1 S   H    _HN1     2     1.02911    83.83159    28.83564
    3     1 S   H    _H1_     3     1.02891    39.17341   156.29737
    4     1 S   H    _H2_     4     1.02815    86.38974   -79.76955
    5     1 S   CT   _CA1     5     1.50203   149.73208   150.78119
    6     5 S   HC   _HA1     6     1.09687   104.91845    64.76289
    7     5 S   CO3  _C1_     7     1.54035   111.26709   -52.94535
    8     7 S   O2Z  _O11     8     1.26135   115.89801   -85.16036
    9     7 S   O2Z  _O12     9     1.26403   114.33734    93.24310
   10     5 S   CT   _CB1    10     1.53155   107.18068  -179.23587
   11    10 S   HC   HB11    11     1.09816   109.05830   -53.17275
   12    10 S   HC   HB12    12     1.09777   110.82750    63.36034
   13    10 S   CT   _CG1    13     1.52920   112.21183  -174.18618
   14    13 S   HC   HG11    14     1.09360   110.25371   -66.37938
   15    13 S   HC   HG12    15     1.09644   109.86407    52.50554
   16    13 S   C    _CD1    16     1.51767   112.66132   172.18417
   17    16 S   O    _OE1    17     1.22740   123.14370   -10.57211
   18    16 S   N    _N2_    18     1.38742   111.77392   171.57790
   19    18 S   H    _HN2    19     1.01552   119.24801    -2.66337
   20    18 S   CT1  _CA2    20     1.46314   123.17353   173.54955
   21    20 S   HC   _HA2    21     1.09671   109.22787     5.44244
   22    20 S   C    _C2_    22     1.53820   109.18649  -110.76640
   23    22 S   O    _O2_    23     1.23087   121.83751  -161.51709
   24    20 S   CT   _CB2    32     1.53464   112.13476   127.79342
   25    24 S   HC   HB21    33     1.09331   109.22483    66.33688
   26    24 S   HC   HB22    34     1.09545   110.01144  -176.36762
   27    22 S   N    _N3_    24     1.38144   114.26973    23.64797
   28    27 S   H    _HN3    25     1.01528   119.14445     1.45023
   29    24 S   S    _SG2    35     1.82906   112.09160   -56.48003
   30    27 S   CT   _CA3    26     1.45277   123.90587  -179.59555
   31    30 S   HC   HA31    27     1.09495   107.43836   -79.77796
   32    30 S   HC   HA32    28     1.09545   108.54205    37.07877
   33    29 S   CT   _C23    36     1.85025   101.00402   151.56094
   34    33 S   OM   _O37    37     1.31875   110.08309  -177.85379
   35    30 S   CO3  _C3_    29     1.52982   113.00435   159.92035
   36    35 S   O2Z  _O31    30     1.26454   115.68934    25.75850
   37    35 S   O2Z  _O32    31     1.26332   114.81768  -153.73092
   38    33 S   CT   _C24    38     1.54470   107.26514    66.89582
   39    38 S   HC   _H24    39     1.09707   111.43684   -65.95041
   40    38 S   HC   _H25    40     1.09996   111.20810   177.50456
   41    38 S   HC   _H26    41     1.09821   113.29092    56.44914
   42    33 S   OS   _O36    42     1.44857   115.40438   -49.14166
   43    42 S   CA   _C15    43     1.36294   122.19608   -47.21726
   44    43 S   CA   _C14    44     1.40074   126.55100   -33.01665
   45    44 S   HA   _H16    45     1.08567   121.30940    -0.02798
   46    44 S   CA   _C13    46     1.41251   121.10511  -177.79797
   47    46 S   HA   _H15    47     1.08754   119.11329   177.32621
   48    46 S   CA   _C12    48     1.39482   120.59472    -1.84228
   49    48 S   CR3  _C17    49     1.38003   116.88671    -0.47888
   50    48 S   CT   _C11    64     1.50364   123.91074   174.52271
   51    50 S   HC   _H13    65     1.09820   106.69925   -60.88459
   52    50 S   HC   _H14    66     1.09256   109.61550    54.27814
   53    43 S   CA   _C16    50     1.38144   116.38380   149.11862
   54    53 S   OS   _O35    51     1.37270   126.78102     3.28241
   55    54 S   CT   _C19    52     1.46982   104.24076   163.58462
   56    55 S   HC   _H6_    53     1.09772   105.97680   145.96989
   57    55 S   CT   _C6_    54     1.55850   111.01041   -97.73002
   58    57 S   HC   _H3_    55     1.09914   108.48887  -129.59396
   59    57 S   CM   _C7_    56     1.50619   115.77007   112.64981
   60    59 S   HC   _H11    57     1.08726   117.43841  -162.36753
   61    57 S   OS   _O34    80     1.44381   111.31467   -10.30439
   62    59 S   CM   _C8_    58     1.34019   123.80183    21.50178
   63    62 S   HC   _H12    59     1.08646   119.24300   175.95039
   64    61 S   CO4  _C5_    81     1.36313   117.05280   -77.51494
   65    64 S   O    _O33    82     1.22326   126.30854    -1.87847
   66    62 S   CT   _C9_    60     1.50422   121.88753    -1.22077
   67    66 S   HC   _H4_    61     1.09980   105.79486    89.88045
   68    64 S   CT   _C4_    83     1.49817   109.49001   177.61173
   69    68 S   HC   _H8_    84     1.09304   109.75812   -62.35019
   70    68 S   HC   _H9_    85     1.09375   109.36130   178.55301
   71    68 S   HC   _H10    86     1.09290   109.87026    59.55507
   72    66 S   CT   _C10    62     1.55616   113.83648  -151.21950
   73    72 S   HC   _H5_    63     1.09720   109.92280   -57.64768
   74    72 S   NP   _N4_    67     1.53900   106.21094  -170.57953
   75    74 S   H    _H7_    68     1.02924   105.16875    55.45846
   76    74 S   CT   _C21    69     1.50932   114.93906   -60.13132
   77    76 S   HC   _H19    70     1.09361   107.90188   -72.59421
   78    76 S   HC   _H20    71     1.09394   106.92592   170.63653
   79    74 S   CT   _C22    76     1.50647   114.03808   169.10659
   80    79 S   HC   _H21    77     1.09115   109.17646    75.66986
   81    79 S   HC   _H22    78     1.09352   107.61715  -164.70531
   82    79 S   HC   _H23    79     1.09263   108.38530   -45.94217
   83    76 S   CT   _C20    72     1.52803   110.83522    50.47591
   84    83 S   HC   _H17    73     1.09824   108.64592    74.44472
   85    83 S   HC   _H18    74     1.09791   108.40341  -170.64949
   86    49 S   CT   _C18    75     1.49287   126.48896  -179.22242
  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   8   5   4   3
   9   6   2   1   1   5   3   2   1   7  10   8   4   9   3  13
  17  13   5   4   7   9  16   7  12   6   9   4   8   8   4   5
   4  11   5   3   2   1   1  12   5  12   8  10   6   5   4   2
   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    53  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    53    54  
   44    45    46    47    48    49    53    54    55    86  
   45    46    47    48    49    53    54    50  
   46    47    48    53  
   47    48    49    53    72    50    51    52    86  
   48    49    50  
   49    53    54    55    66    72    73    50    51    52    74    83    86  
   53    54    55    56    57    62    66    67    72    50    51    52    76    83    84    85    86  
   51    52    74    75    76    86    79    53    62    66    67    72    73  
   52    74    66    72    73  
   74    66    72    73  
   54    55    56    57    66    83    86  
   55    56    57    58    59    66    83    86    61  
   56    57    58    59    60    62    66    67    72    76    83    84    85    86    61    64  
   57    58    59    66    83    86    61  
   58    59    60    62    63    66    83    86    61    64    65    68  
   59    60    62    86    61    64  
   60    62    63    66    67    72    86    61    64  
   62    63    66    61  
   64    65    68    69    70    71    62    86  
   63    66    67    72    73    74    83    86  
   66    67    72    86  
   65    68    69    70    71  
   68    69    70    71  
   67    72    73    74    75    76    83    84    85    86    79  
   72    73    74    83    86  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    83    86    79    80    81    82  
   74    75    76    86    79  
   75    76    77    78    83    84    85    86    79    80    81    82  
   76    77    78    83    79    80    81    82  
   77    78    83    84    85    86    79    80    81    82  
   78    83    84    85    86    79  
   83    84    85    86    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   75   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    53   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   490.000  1.398
   48    50   317.000  1.510
   49    53   490.000  1.398
   49    86   317.000  1.510
   53    54   450.000  1.364
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    86   268.000  1.529
   57    58   340.000  1.090
   57    59   317.000  1.510
   57    61   320.000  1.410
   59    60   340.000  1.080
   59    62   549.000  1.340
   62    63   340.000  1.080
   62    66   317.000  1.510
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    86   268.000  1.529
   72    73   340.000  1.090
   72    50   268.000  1.529
   72    74   367.000  1.471
   50    51   340.000  1.090
   50    52   340.000  1.090
   74    75   434.000  1.010
   74    76   367.000  1.471
   74    79   367.000  1.471
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   61    64   214.000  1.327
   64    65   570.000  1.229
   64    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    53    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    53    49    70.00000  112.88000
   43    53    54    70.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.88000
   46    48    50    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    53    60.00000  130.80000
   48    49    86    70.00000  120.00000
   48    50    72    70.00000  112.17500
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   49    53    54    70.00000  120.00000
   49    86    55    70.00000  112.17500
   49    86    66    70.00000  112.17500
   49    86    83    70.00000  112.17500
   53    43    44    63.00000  120.00000
   53    54    55    75.00000  111.00000
   54    55    56    35.00000  109.50000
   54    55    57    50.00000  109.50000
   54    55    86    50.00000  109.50000
   55    57    58    37.50000  110.70000
   55    57    59    70.00000  112.02700
   55    57    61    50.00000  109.50000
   55    86    66    58.35000  112.70000
   55    86    83    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    59    60    35.00000  117.00000
   57    59    62    70.00000  124.00000
   57    61    64    83.00000  116.90000
   59    57    58    35.00000  109.50000
   59    62    63    35.00000  120.00000
   59    62    66    70.00000  124.00000
   62    59    60    35.00000  120.00000
   62    66    67    35.00000  109.50000
   62    66    72    70.00000  112.02700
   62    66    86    70.00000  112.02700
   66    62    63    35.00000  117.00000
   66    72    73    37.50000  110.70000
   66    72    50    58.35000  112.70000
   66    72    74    80.00000  111.20000
   66    86    83    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    50    51    37.50000  110.70000
   72    50    52    37.50000  110.70000
   72    74    75    35.00000  109.50000
   72    74    76    75.00000  113.01200
   72    74    79    75.00000  113.01200
   50    48    49    80.00000  105.07000
   50    72    73    37.50000  110.70000
   52    50    51    33.00000  107.80000
   74    72    73    35.00000  109.50000
   74    72    50    80.00000  111.20000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    83    80.00000  111.20000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   76    74    75    35.00000  109.50000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    58.35000  112.70000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    49    53    70.00000  120.00000
   86    55    56    37.50000  110.70000
   86    55    57    58.35000  112.70000
   86    66    67    37.50000  110.70000
   86    66    72    58.35000  112.70000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   79    74    75    35.00000  109.50000
   79    74    76    75.00000  113.01200
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    85.00000  110.90400
   61    64    65    83.00000  123.40000
   61    64    68    81.00000  111.40000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   68    64    65    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    53   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    53    49   3.62500 -1.0 2.0
   42    43    53    54   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    53    54    55   1.63200 -1.0 2.0
   44    43    53    49   3.62500 -1.0 2.0
   44    43    53    54   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    53   3.62500 -1.0 2.0
   46    48    49    86   3.62500 -1.0 2.0
   46    48    50    72   0.04150 -1.0 2.0
   46    48    50    51   0.00000  1.0 1.0
   46    48    50    52   0.00000  1.0 1.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    49   -53    43   3.62500 -1.0 2.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49    86    55   0.04150 -1.0 2.0
   48    49    86    66   0.04150 -1.0 2.0
   48    49    86    83   0.04150 -1.0 2.0
   49    48    50    72   0.04150 -1.0 2.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.00000  1.0 1.0
   49    53   -54    55   1.63200 -1.0 2.0
   53    43    44    45   3.62500 -1.0 2.0
   53    43   -44    46   3.62500 -1.0 2.0
   53    49   -86    55   0.04150 -1.0 2.0
   53    49    86    66   0.04150 -1.0 2.0
   53    49    86    83   0.04150 -1.0 2.0
   53    54    55    56   0.08050  1.0 3.0
   53    54    55    57  -0.32850  1.0 1.0
   53    54    55    57  -0.35800 -1.0 2.0
   53    54    55    57   0.33950  1.0 3.0
   53    54   -55    86  -0.32850  1.0 1.0
   53    54   -55    86  -0.35800 -1.0 2.0
   53    54   -55    86   0.33950  1.0 3.0
   54    55    57    58   0.23400  1.0 3.0
   54    55    57    59   0.61850  1.0 1.0
   54    55    57    59  -0.22750 -1.0 2.0
   54    55    57    59   0.15300  1.0 3.0
   54    55    57    61   1.11900  1.0 1.0
   54    55    57    61  -1.16350 -1.0 2.0
   54    55    57    61  -0.34150  1.0 3.0
   54    55   -86    49  -0.64350  1.0 1.0
   54    55   -86    49  -0.04200 -1.0 2.0
   54    55   -86    49   0.19800  1.0 3.0
   54    55    86    66   0.62750  1.0 1.0
   54    55    86    66  -0.30950 -1.0 2.0
   54    55    86    66   0.27300  1.0 3.0
   54    55    86    83   0.62750  1.0 1.0
   54    55    86    83  -0.30950 -1.0 2.0
   54    55    86    83   0.27300  1.0 3.0
   55    57    59    60   0.00000  1.0 1.0
   55    57    59    62   0.09850  1.0 1.0
   55    57    59    62   0.15250 -1.0 2.0
   55    57    59    62  -0.50650  1.0 3.0
   55    57    61    64  -0.25900  1.0 1.0
   55    57    61    64  -0.47000 -1.0 2.0
   55    57    61    64   0.11750  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.23400  1.0 3.0
   56    55    86    49   0.43200  1.0 3.0
   56    55    86    66   0.15000  1.0 3.0
   56    55    86    83   0.15000  1.0 3.0
   57    55    86    49  -0.03700  1.0 1.0
   57    55    86    49   0.37200 -1.0 2.0
   57    55    86    49  -0.47300  1.0 3.0
   57    55    86    66   0.56750  1.0 1.0
   57    55    86    66  -0.07550 -1.0 2.0
   57    55    86    66   0.20000  1.0 3.0
   57    55    86    83   0.56750  1.0 1.0
   57    55    86    83  -0.07550 -1.0 2.0
   57    55    86    83   0.20000  1.0 3.0
   57    59    62    63   7.00000 -1.0 2.0
   57    59   -62    66   7.00000 -1.0 2.0
   57    61    64    65   3.00000 -1.0 2.0
   57    61    64    68   1.63150  1.0 1.0
   57    61    64    68   2.92000 -1.0 2.0
   58    57    59    60   0.33100  1.0 3.0
   58    57    59    62   0.00000  1.0 1.0
   58    57    61    64   0.08050  1.0 3.0
   59    57    61    64  -0.82050  1.0 1.0
   59    57    61    64   0.00600 -1.0 2.0
   59    57    61    64   0.04400  1.0 3.0
   59    62    66    67   0.00000  1.0 1.0
   59    62    66    72   0.09850  1.0 1.0
   59    62    66    72   0.15250 -1.0 2.0
   59    62    66    72  -0.50650  1.0 3.0
   59    62    66    86   0.09850  1.0 1.0
   59    62    66    86   0.15250 -1.0 2.0
   59    62    66    86  -0.50650  1.0 3.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    66   7.00000 -1.0 2.0
   62    66    72    73   0.15000  1.0 3.0
   62    66    72    50   0.34400  1.0 1.0
   62    66    72    50   0.09450 -1.0 2.0
   62    66    72    50   0.11100  1.0 3.0
   62    66    72    74  -0.47300  1.0 1.0
   62    66    72    74   0.29700 -1.0 2.0
   62    66    72    74   0.83300  1.0 3.0
   62    66    86    49   0.21200  1.0 1.0
   62    66    86    49   0.16900 -1.0 2.0
   62    66    86    49  -1.15100  1.0 3.0
   62    66   -86    55   0.34400  1.0 1.0
   62    66   -86    55   0.09450 -1.0 2.0
   62    66   -86    55   0.11100  1.0 3.0
   62    66    86    83   0.34400  1.0 1.0
   62    66    86    83   0.09450 -1.0 2.0
   62    66    86    83   0.11100  1.0 3.0
   63    62    66    67   0.33100  1.0 3.0
   63    62    66    72   0.00000  1.0 1.0
   63    62    66    86   0.00000  1.0 1.0
   66    72   -50    48  -0.03700  1.0 1.0
   66    72   -50    48   0.37200 -1.0 2.0
   66    72   -50    48  -0.47300  1.0 3.0
   66    72    50    51   0.15000  1.0 3.0
   66    72    50    52   0.15000  1.0 3.0
   66    72    74    75   0.17350  1.0 3.0
   66    72    74    76   0.47100  1.0 1.0
   66    72    74    79   0.47100  1.0 1.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    50   0.15000  1.0 3.0
   67    66    72    74   0.19200  1.0 3.0
   67    66    86    49   0.43200  1.0 3.0
   67    66    86    55   0.15000  1.0 3.0
   67    66    86    83   0.15000  1.0 3.0
   72    66   -86    49  -0.03700  1.0 1.0
   72    66   -86    49   0.37200 -1.0 2.0
   72    66   -86    49  -0.47300  1.0 3.0
   72    66    86    55   0.56750  1.0 1.0
   72    66    86    55  -0.07550 -1.0 2.0
   72    66    86    55   0.20000  1.0 3.0
   72    66    86    83   0.56750  1.0 1.0
   72    66    86    83  -0.07550 -1.0 2.0
   72    66    86    83   0.20000  1.0 3.0
   72    74    76    77   0.15000  1.0 3.0
   72    74    76    78   0.15000  1.0 3.0
   72    74   -76    83   0.47100  1.0 1.0
   72    74    79    80   0.15000  1.0 3.0
   72    74    79    81   0.15000  1.0 3.0
   72    74    79    82   0.15000  1.0 3.0
   73    72    50    48   0.43200  1.0 3.0
   73    72    50    51   0.15000  1.0 3.0
   73    72    50    52   0.15000  1.0 3.0
   73    72    74    75   0.13050  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    79   0.15000  1.0 3.0
   50    48    49    53   3.62500 -1.0 2.0
   50    48    49    86   3.62500 -1.0 2.0
   50    72    74    75   0.17350  1.0 3.0
   50    72    74    76   0.47100  1.0 1.0
   50    72    74    79   0.47100  1.0 1.0
   74    72    50    48   1.24050  1.0 1.0
   74    72    50    48   0.48100 -1.0 2.0
   74    72    50    48   1.08150  1.0 3.0
   74    72    50    51   0.19200  1.0 3.0
   74    72    50    52   0.19200  1.0 3.0
   74    76    83    84   0.19200  1.0 3.0
   74    76    83    85   0.19200  1.0 3.0
   74    76    83    86   1.36600  1.0 1.0
   74    76    83    86  -0.11450 -1.0 2.0
   74    76    83    86   0.24250  1.0 3.0
   75    74    76    77   0.13050  1.0 3.0
   75    74    76    78   0.13050  1.0 3.0
   75    74    76    83   0.17350  1.0 3.0
   75    74    79    80   0.13050  1.0 3.0
   75    74    79    81   0.13050  1.0 3.0
   75    74    79    82   0.13050  1.0 3.0
   76    74    79    80   0.15000  1.0 3.0
   76    74    79    81   0.15000  1.0 3.0
   76    74    79    82   0.15000  1.0 3.0
   76    83    86    49  -0.03700  1.0 1.0
   76    83    86    49   0.37200 -1.0 2.0
   76    83    86    49  -0.47300  1.0 3.0
   76    83    86    55   0.56750  1.0 1.0
   76    83    86    55  -0.07550 -1.0 2.0
   76    83    86    55   0.20000  1.0 3.0
   76    83   -86    66   0.56750  1.0 1.0
   76    83   -86    66  -0.07550 -1.0 2.0
   76    83   -86    66   0.20000  1.0 3.0
   77    76    83    84   0.15000  1.0 3.0
   77    76    83    85   0.15000  1.0 3.0
   77    76    83    86   0.15000  1.0 3.0
   78    76    83    84   0.15000  1.0 3.0
   78    76    83    85   0.15000  1.0 3.0
   78    76    83    86   0.15000  1.0 3.0
   84    83    86    49   0.43200  1.0 3.0
   84    83    86    55   0.15000  1.0 3.0
   84    83    86    66   0.15000  1.0 3.0
   85    83    86    49   0.43200  1.0 3.0
   85    83    86    55   0.15000  1.0 3.0
   85    83    86    66   0.15000  1.0 3.0
   86    49    53    43   3.62500 -1.0 2.0
   86    49   -53    54   3.62500 -1.0 2.0
   86    55    57    58   0.15000  1.0 3.0
   86    55   -57    59   0.34400  1.0 1.0
   86    55   -57    59   0.09450 -1.0 2.0
   86    55   -57    59   0.11100  1.0 3.0
   86    55    57    61   0.62750  1.0 1.0
   86    55    57    61  -0.30950 -1.0 2.0
   86    55    57    61   0.27300  1.0 3.0
   86    66    72    73   0.15000  1.0 3.0
   86    66   -72    50   0.56750  1.0 1.0
   86    66   -72    50  -0.07550 -1.0 2.0
   86    66   -72    50   0.20000  1.0 3.0
   86    66   -72    74   1.36600  1.0 1.0
   86    66   -72    74  -0.11450 -1.0 2.0
   86    66   -72    74   0.24250  1.0 3.0
   79    74    76    77   0.15000  1.0 3.0
   79    74    76    78   0.15000  1.0 3.0
   79    74    76    83   0.47100  1.0 1.0
   61    57    59    60   0.00000  1.0 1.0
   61    57    59    62   0.39000  1.0 1.0
   61    57    59    62  -0.05800 -1.0 2.0
   61    57    59    62  -0.55150  1.0 3.0
   61    64    68    69   0.00000  1.0 1.0
   61    64    68    70   0.00000  1.0 1.0
   61    64    68    71   0.00000  1.0 1.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    71   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    53    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    50    48    46   4.00000 -1.0 2.0
   53    86    49    48   4.00000 -1.0 2.0
   49    54    53    43   4.00000 -1.0 2.0
   57    60    59    62   1.10000 -1.0 2.0
   66    63    62    59   1.10000 -1.0 2.0
   61    68    64    65  10.50000 -1.0 2.0
END
