* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    159    247     474
    1     0 S   NP   _N1_     1    28.05203    96.20903   -22.31630
    2     1 S   H    _HN1     2     1.02956    77.61096    -1.28222
    3     1 S   H    _H1_     3     1.02837    34.82478   146.02857
    4     1 S   H    _H2_     4     1.02777   100.66474  -107.92222
    5     1 S   CT   _CA1     5     1.50122   140.37892   105.84215
    6     5 S   HC   _HA1     6     1.09573   105.23001    82.39988
    7     5 S   CO3  _C1_     7     1.53792   112.34209   -37.83687
    8     7 S   O2Z  _O11     8     1.26367   114.99731   -44.53006
    9     7 S   O2Z  _O12     9     1.26234   114.93211   134.59217
   10     5 S   CT   _CB1    10     1.53092   107.43287  -159.66217
   11    10 S   HC   HB11    11     1.09827   109.37891   -50.31069
   12    10 S   HC   HB12    12     1.09820   110.42352    66.26137
   13    10 S   CT   _CG1    13     1.53016   112.64354  -171.36496
   14    13 S   HC   HG11    14     1.09594   110.49253   -63.56463
   15    13 S   HC   HG12    15     1.09651   109.94899    55.66279
   16    13 S   C    _CD1    16     1.51802   112.27008   176.06060
   17    16 S   O    _OE1    17     1.22756   123.28435    -0.36797
   18    16 S   N    _N2_    18     1.38581   111.73785   179.55063
   19    18 S   H    _HN2    19     1.01555   119.08728     5.06608
   20    18 S   CT1  _CA2    20     1.45750   122.71712   178.71656
   21    20 S   HC   _HA2    21     1.09635   108.69974    23.97224
   22    20 S   C    _C2_    22     1.52952   107.28402   -92.87952
   23    22 S   O    _O2_    23     1.22958   123.10921   -24.42984
   24    20 S   CT   _CB2    32     1.53216   112.42068   146.85139
   25    24 S   HC   HB21    33     1.09591   110.33523    56.41571
   26    24 S   HC   HB22    34     1.09402   109.78168   175.26426
   27    22 S   N    _N3_    24     1.38487   112.49190   158.19785
   28    27 S   H    _HN3    25     1.01602   120.32002    -1.80472
   29    24 S   S    _SG2    35     1.82550   111.29439   -64.23493
   30    27 S   CT   _CA3    26     1.45337   122.62074   178.67028
   31    30 S   HC   HA31    27     1.09561   107.88201   -54.79754
   32    30 S   HC   HA32    28     1.09559   107.56048    61.57033
   33    29 S   CT   _C22    36     1.82775    99.69911   179.04879
   34    33 S   HC   _H3_    37     1.09606   106.71615  -164.18950
   35    33 S   HC   _H4_    38     1.09540   108.31376   -49.42392
   36    30 S   CO3  _C3_    29     1.52910   114.24510  -176.66951
   37    36 S   O2Z  _O31    30     1.26348   116.05575     2.04813
   38    36 S   O2Z  _O32    31     1.26420   114.42903  -178.01584
   39    33 S   CT   _C23    39     1.53302   113.61403    74.23367
   40    39 S   HC   _H52    40     1.09657   110.60186   -56.79120
   41    39 S   CO4  _C12    41     1.52005   110.25767    63.61311
   42    41 S   O    _O23    42     1.22444   124.24449    59.59375
   43    39 S   CT   _C21    84     1.53093   110.57164  -176.37626
   44    43 S   HC   _H48    85     1.09531   111.86741   -69.23385
   45    43 S   HC   _H49    86     1.09501   110.63975    52.14399
   46    41 S   OS   _O28    43     1.36436   109.83305  -120.18557
   47    43 S   OH   _O26    87     1.42321   109.32769   170.65881
   48    47 S   HO   _H54    88     0.97263   107.09242  -179.63577
   49    46 S   CT   _C17    44     1.44751   117.28133   179.03917
   50    49 S   HC   _H43    45     1.09476   109.04176   -35.55997
   51    49 S   CT   _C13    46     1.53298   108.24245    84.07151
   52    51 S   HC   _H37    47     1.09888   108.93722   -63.18671
   53    51 S   HC   _H38    48     1.10038   108.28595    50.15507
   54    49 S   CT   _C16    61     1.54083   107.97584  -155.74701
   55    54 S   HC   _H42    62     1.10157   106.65672   -54.80681
   56    51 S   CT   _C19    49     1.54600   114.47722   172.92804
   57    54 S   CM   _C10    63     1.52894   112.25528    61.39978
   58    56 S   CT   _C14    50     1.53980   110.51654    65.59377
   59    58 S   HC   _H39    51     1.09411   112.93545   -53.38609
   60    58 S   HC   _H40    52     1.09687   110.99708    65.50397
   61    57 S   CM   _C8_    64     1.34413   121.02378  -125.16973
   62    61 S   HC   _H34    65     1.08593   120.94949     0.48899
   63    61 S   HC   _H35    66     1.08463   123.13064  -178.37045
   64    57 S   CO4  _C11    67     1.49363   119.22026    55.84320
   65    64 S   O    _O22    68     1.22314   123.37376    18.07413
   66    56 S   CM   _C9_    79     1.53431   105.65414  -178.10040
   67    66 S   HC   _H36    80     1.09069   115.35745   -69.66929
   68    58 S   OS   _O24    53     1.44408   113.43401  -174.40084
   69    64 S   OS   _O27    69     1.36019   111.17314  -159.93908
   70    66 S   CM   _C7_    81     1.33916   128.50238   108.84415
   71    70 S   HC   _H32    82     1.08556   119.95216  -179.36265
   72    70 S   HC   _H33    83     1.08251   123.05903    -0.04846
   73    68 S   CO4  _C5_    54     1.35475   124.33893    33.45636
   74    73 S   O    _O21    55     1.22699   120.78769   171.72203
   75    69 S   CT   _C20    70     1.43071   115.53487   177.81609
   76    75 S   HC   _H45    71     1.09303   108.16264  -178.42095
   77    75 S   HC   _H46    72     1.09409   110.20040    62.85974
   78    75 S   HC   _H47    73     1.09426   110.35253   -59.74080
   79    73 S   CM   _C4_    56     1.48275   116.67602    -9.94997
   80    56 S   CT   _C15    57     1.54840   110.11388   -52.97830
   81    80 S   HC   _H41    58     1.10012   108.62367   -67.26559
   82    79 S   CM   _C6_    76     1.34379   116.90069  -165.98241
   83    82 S   HC   _H30    77     1.08556   120.86433   178.62941
   84    82 S   HC   _H31    78     1.08525   122.71556    -1.45428
   85    80 S   CT   _C18    59     1.55362   113.10810    50.75761
   86    85 S   HC   _H44    60     1.09487   109.94118    72.03473
   87    85 S   OH   _O25    74     1.43468   108.81113  -171.98614
   88    87 S   HO   _H53    75     0.97254   108.13768    63.34159
  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   7   5   4   3
  11   5   4   2   1   1  10   7  10   3   5   3   2  10   1   1
  16   8  17   6   5  16   7  17  11  12   5   4   6   2   1   7
   2   9   4   5   4   3   1   1   8   3   3   2   1   1   8   8
   4   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    43    44    45    47  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    46    49    43    44    45    47    48  
   41    42    46    43    44    45    47  
   42    46    49    50    51    54    43    44    45    47  
   46    49    43  
   44    45    47    48    46  
   45    47    48  
   47    48  
   49    50    51    52    53    56    85    54    55    57  
   48  
    0  
   50    51    52    53    56    58    80    85    86    54    55    57    61    64    87    66  
   51    52    53    56    85    54    55    57  
   52    53    56    58    59    60    68    79    80    81    85    54    55    57    66    67    70  
   53    56    58    80    54    66  
   56    58    80    54    66  
   55    57    61    62    63    64    65    69    87    88    56    79    80    81    85    86  
   57    61    64    87    80    85    86  
   58    59    60    68    73    79    80    81    85    86    87    82    66    67    70    71    72  
   61    62    63    64    65    69    75    87    80    85    86  
   59    60    68    73    74    79    80    81    85    66    67    70  
   60    68    73    80    66  
   68    73    80    66  
   62    63    64    65    69    85  
   63    64  
   64  
   65    69    75    76    77    78    85  
   69    75  
   67    70    71    72    68    79    80    81    85  
   70    71    72    80  
   73    74    79    80    82  
   75    76    77    78  
   71    72    80  
   72  
    0  
   74    79    80    81    85    82    83    84  
   79    80    82  
   76    77    78  
   77    78  
   78  
    0  
   80    81    85    86    87    82    83    84  
   81    85    86    87    88    82    83    84  
   85    86    87    82  
   83    84    85  
   84  
    0  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   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
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    46   214.000  1.327
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    58   268.000  1.529
   56    80   268.000  1.529
   56    66   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    68   320.000  1.410
   68    73   214.000  1.327
   73    74   570.000  1.229
   73    79   320.000  1.462
   79    80   317.000  1.510
   79    82   549.000  1.340
   80    81   340.000  1.090
   80    85   268.000  1.529
   85    86   340.000  1.090
   85    54   268.000  1.529
   85    87   320.000  1.410
   54    55   340.000  1.090
   54    57   317.000  1.510
   57    61   549.000  1.340
   57    64   320.000  1.462
   61    62   340.000  1.080
   61    63   340.000  1.080
   64    65   570.000  1.229
   64    69   214.000  1.327
   69    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   87    88   553.000  0.945
   82    83   340.000  1.080
   82    84   340.000  1.080
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    71   340.000  1.080
   70    72   340.000  1.080
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   320.000  1.410
   47    48   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    46    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    47    50.00000  109.50000
   41    39    40    35.00000  109.50000
   41    46    49    83.00000  116.90000
   46    41    42    83.00000  123.40000
   46    49    50    35.00000  109.50000
   46    49    51    50.00000  109.50000
   46    49    54    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    56    58.35000  112.70000
   49    54    85    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    57    70.00000  112.02700
   51    49    50    37.50000  110.70000
   51    56    58    58.35000  112.70000
   51    56    80    58.35000  112.70000
   51    56    66    70.00000  112.02700
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    68    50.00000  109.50000
   56    80    79    70.00000  112.02700
   56    80    81    37.50000  110.70000
   56    80    85    58.35000  112.70000
   56    66    67    35.00000  117.00000
   56    66    70    70.00000  124.00000
   58    68    73    83.00000  116.90000
   60    58    59    33.00000  107.80000
   68    58    59    35.00000  109.50000
   68    58    60    35.00000  109.50000
   68    73    74    83.00000  123.40000
   68    73    79    90.00000  111.29400
   73    79    80    65.00000  116.34900
   73    79    82    65.00000  118.96000
   79    73    74    80.00000  123.72100
   79    80    81    35.00000  109.50000
   79    80    85    70.00000  112.02700
   79    82    83    35.00000  120.00000
   79    82    84    35.00000  120.00000
   80    56    58    58.35000  112.70000
   80    85    86    37.50000  110.70000
   80    85    54    58.35000  112.70000
   80    85    87    50.00000  109.50000
   85    80    81    37.50000  110.70000
   85    54    55    37.50000  110.70000
   85    54    57    70.00000  112.02700
   85    87    88    55.00000  108.50000
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   54    85    86    37.50000  110.70000
   54    57    61    70.00000  124.00000
   54    57    64    65.00000  116.34900
   57    54    55    35.00000  109.50000
   57    61    62    35.00000  120.00000
   57    61    63    35.00000  120.00000
   57    64    65    80.00000  123.72100
   57    64    69    90.00000  111.29400
   63    61    62    35.00000  117.00000
   64    57    61    65.00000  118.96000
   64    69    75    83.00000  116.90000
   69    64    65    83.00000  123.40000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   87    85    86    35.00000  109.50000
   87    85    54    50.00000  109.50000
   82    79    80    70.00000  124.00000
   84    82    83    35.00000  117.00000
   66    56    58    70.00000  112.02700
   66    56    80    70.00000  112.02700
   66    70    71    35.00000  120.00000
   66    70    72    35.00000  120.00000
   70    66    67    35.00000  120.00000
   72    70    71    35.00000  117.00000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    46   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    47   0.86500  1.0 1.0
   33    39    43    47  -0.17500 -1.0 2.0
   33    39    43    47   0.20800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    46    49   1.63150  1.0 1.0
   39    41    46    49   2.92000 -1.0 2.0
   39    43    47    48  -0.11600  1.0 1.0
   39    43    47    48  -0.09450 -1.0 2.0
   39    43    47    48   0.21250  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    46   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    47   0.23400  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    47  -0.09450  1.0 1.0
   41    39    43    47  -1.12950 -1.0 2.0
   41    39    43    47   0.54000  1.0 3.0
   41    46    49    50   0.08050  1.0 3.0
   41    46    49    51  -0.25900  1.0 1.0
   41    46    49    51  -0.47000 -1.0 2.0
   41    46    49    51   0.11750  1.0 3.0
   41    46    49    54  -0.25900  1.0 1.0
   41    46    49    54  -0.47000 -1.0 2.0
   41    46    49    54   0.11750  1.0 3.0
   42    41    46    49   3.00000 -1.0 2.0
   46    49    51    52   0.23400  1.0 3.0
   46    49    51    53   0.23400  1.0 3.0
   46    49    51    56   0.62750  1.0 1.0
   46    49    51    56  -0.30950 -1.0 2.0
   46    49    51    56   0.27300  1.0 3.0
   46    49    54    85   0.62750  1.0 1.0
   46    49    54    85  -0.30950 -1.0 2.0
   46    49    54    85   0.27300  1.0 3.0
   46    49    54    55   0.23400  1.0 3.0
   46    49    54    57   0.61850  1.0 1.0
   46    49    54    57  -0.22750 -1.0 2.0
   46    49    54    57   0.15300  1.0 3.0
   49    51    56    58   0.56750  1.0 1.0
   49    51    56    58  -0.07550 -1.0 2.0
   49    51    56    58   0.20000  1.0 3.0
   49    51    56    80   0.56750  1.0 1.0
   49    51    56    80  -0.07550 -1.0 2.0
   49    51    56    80   0.20000  1.0 3.0
   49    51    56    66   0.34400  1.0 1.0
   49    51    56    66   0.09450 -1.0 2.0
   49    51    56    66   0.11100  1.0 3.0
   49    54    57    61   0.09850  1.0 1.0
   49    54    57    61   0.15250 -1.0 2.0
   49    54    57    61  -0.50650  1.0 3.0
   49    54    57    64   0.09700  1.0 1.0
   49    54    57    64   0.15600 -1.0 2.0
   49    54    57    64  -0.50800  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    54    85   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   51    49    54    85   0.56750  1.0 1.0
   51    49    54    85  -0.07550 -1.0 2.0
   51    49    54    85   0.20000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    57   0.34400  1.0 1.0
   51    49    54    57   0.09450 -1.0 2.0
   51    49    54    57   0.11100  1.0 3.0
   51    56    58    59   0.15000  1.0 3.0
   51    56    58    60   0.15000  1.0 3.0
   51    56    58    68   0.62750  1.0 1.0
   51    56    58    68  -0.30950 -1.0 2.0
   51    56    58    68   0.27300  1.0 3.0
   51    56    80    79   0.34400  1.0 1.0
   51    56    80    79   0.09450 -1.0 2.0
   51    56    80    79   0.11100  1.0 3.0
   51    56    80    81   0.15000  1.0 3.0
   51    56   -80    85   0.56750  1.0 1.0
   51    56   -80    85  -0.07550 -1.0 2.0
   51    56   -80    85   0.20000  1.0 3.0
   51    56    66    67   0.00000  1.0 1.0
   51    56    66    70   0.09850  1.0 1.0
   51    56    66    70   0.15250 -1.0 2.0
   51    56    66    70  -0.50650  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    80   0.15000  1.0 3.0
   52    51    56    66   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    80   0.15000  1.0 3.0
   53    51    56    66   0.15000  1.0 3.0
   56    58    68    73  -0.25900  1.0 1.0
   56    58    68    73  -0.47000 -1.0 2.0
   56    58    68    73   0.11750  1.0 3.0
   56    80    85    86   0.15000  1.0 3.0
   56    80    85    54   0.56750  1.0 1.0
   56    80    85    54  -0.07550 -1.0 2.0
   56    80    85    54   0.20000  1.0 3.0
   56    80    85    87   0.86500  1.0 1.0
   56    80    85    87  -0.17500 -1.0 2.0
   56    80    85    87   0.20800  1.0 3.0
   56    66    70    71   7.00000 -1.0 2.0
   56    66    70    72   7.00000 -1.0 2.0
   58    56    80    79   0.34400  1.0 1.0
   58    56    80    79   0.09450 -1.0 2.0
   58    56    80    79   0.11100  1.0 3.0
   58    56    80    81   0.15000  1.0 3.0
   58    56    80    85   0.56750  1.0 1.0
   58    56    80    85  -0.07550 -1.0 2.0
   58    56    80    85   0.20000  1.0 3.0
   58    56    66    67   0.00000  1.0 1.0
   58    56    66    70   0.09850  1.0 1.0
   58    56    66    70   0.15250 -1.0 2.0
   58    56    66    70  -0.50650  1.0 3.0
   58    68    73    74   3.00000 -1.0 2.0
   58    68   -73    79   2.00000 -1.0 2.0
   59    58    68    73   0.08050  1.0 3.0
   60    58    68    73   0.08050  1.0 3.0
   68    73    79    80  -0.15000  1.0 1.0
   68    73    79    80   0.89550 -1.0 2.0
   68    73    79    80  -0.06900  1.0 3.0
   68    73    79    82  -0.56150  1.0 1.0
   68    73    79    82   2.19150 -1.0 2.0
   73    79   -80    56   0.09700  1.0 1.0
   73    79   -80    56   0.15600 -1.0 2.0
   73    79   -80    56  -0.50800  1.0 3.0
   73    79    80    81   0.15000  1.0 3.0
   73    79    80    85   0.09700  1.0 1.0
   73    79    80    85   0.15600 -1.0 2.0
   73    79    80    85  -0.50800  1.0 3.0
   73    79    82    83   7.00000 -1.0 2.0
   73    79    82    84   7.00000 -1.0 2.0
   74    73    79    80  -0.64400  1.0 1.0
   74    73    79    80   0.26850 -1.0 2.0
   74    73    79    82   1.00000 -1.0 2.0
   79    80    85    86   0.15000  1.0 3.0
   79    80    85    54   0.34400  1.0 1.0
   79    80    85    54   0.09450 -1.0 2.0
   79    80    85    54   0.11100  1.0 3.0
   79    80    85    87   1.05650  1.0 1.0
   79    80    85    87   0.15600 -1.0 2.0
   79    80    85    87   0.53150  1.0 3.0
   80    56    58    59   0.15000  1.0 3.0
   80    56    58    60   0.15000  1.0 3.0
   80    56   -58    68   0.62750  1.0 1.0
   80    56   -58    68  -0.30950 -1.0 2.0
   80    56   -58    68   0.27300  1.0 3.0
   80    56    66    67   0.00000  1.0 1.0
   80    56    66    70   0.09850  1.0 1.0
   80    56    66    70   0.15250 -1.0 2.0
   80    56    66    70  -0.50650  1.0 3.0
   80    79    82    83   7.00000 -1.0 2.0
   80    79    82    84   7.00000 -1.0 2.0
   80    85   -54    49   0.56750  1.0 1.0
   80    85   -54    49  -0.07550 -1.0 2.0
   80    85   -54    49   0.20000  1.0 3.0
   80    85    54    55   0.15000  1.0 3.0
   80    85    54    57   0.34400  1.0 1.0
   80    85    54    57   0.09450 -1.0 2.0
   80    85    54    57   0.11100  1.0 3.0
   80    85    87    88  -0.11600  1.0 1.0
   80    85    87    88  -0.09450 -1.0 2.0
   80    85    87    88   0.21250  1.0 3.0
   81    80    85    86   0.15000  1.0 3.0
   81    80    85    54   0.15000  1.0 3.0
   81    80    85    87   0.23400  1.0 3.0
   85    54    57    61   0.09850  1.0 1.0
   85    54    57    61   0.15250 -1.0 2.0
   85    54    57    61  -0.50650  1.0 3.0
   85    54    57    64   0.09700  1.0 1.0
   85    54    57    64   0.15600 -1.0 2.0
   85    54    57    64  -0.50800  1.0 3.0
   86    85    54    49   0.15000  1.0 3.0
   86    85    54    55   0.15000  1.0 3.0
   86    85    54    57   0.15000  1.0 3.0
   86    85    87    88   0.19450  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49   -51    56   0.56750  1.0 1.0
   54    49   -51    56  -0.07550 -1.0 2.0
   54    49   -51    56   0.20000  1.0 3.0
   54    85    87    88  -0.11600  1.0 1.0
   54    85    87    88  -0.09450 -1.0 2.0
   54    85    87    88   0.21250  1.0 3.0
   54    57    61    62   7.00000 -1.0 2.0
   54    57    61    63   7.00000 -1.0 2.0
   54    57    64    65  -0.64400  1.0 1.0
   54    57    64    65   0.26850 -1.0 2.0
   54    57    64    69  -0.15000  1.0 1.0
   54    57    64    69   0.89550 -1.0 2.0
   54    57    64    69  -0.06900  1.0 3.0
   55    54    57    61   0.00000  1.0 1.0
   55    54    57    64   0.15000  1.0 3.0
   57    64    69    75   2.00000 -1.0 2.0
   61    57    64    65   1.00000 -1.0 2.0
   61    57    64    69  -0.56150  1.0 1.0
   61    57    64    69   2.19150 -1.0 2.0
   64    57    61    62   7.00000 -1.0 2.0
   64    57    61    63   7.00000 -1.0 2.0
   64    69    75    76   0.08050  1.0 3.0
   64    69    75    77   0.08050  1.0 3.0
   64    69    75    78   0.08050  1.0 3.0
   65    64    69    75   3.00000 -1.0 2.0
   87    85    54    49   0.86500  1.0 1.0
   87    85    54    49  -0.17500 -1.0 2.0
   87    85    54    49   0.20800  1.0 3.0
   87    85    54    55   0.23400  1.0 3.0
   87    85    54    57   1.05650  1.0 1.0
   87    85    54    57   0.15600 -1.0 2.0
   87    85    54    57   0.53150  1.0 3.0
   82    79    80    56   0.09850  1.0 1.0
   82    79    80    56   0.15250 -1.0 2.0
   82    79    80    56  -0.50650  1.0 3.0
   82    79    80    81   0.00000  1.0 1.0
   82    79    80    85   0.09850  1.0 1.0
   82    79    80    85   0.15250 -1.0 2.0
   82    79    80    85  -0.50650  1.0 3.0
   66    56    58    59   0.15000  1.0 3.0
   66    56    58    60   0.15000  1.0 3.0
   66    56    58    68   0.61850  1.0 1.0
   66    56    58    68  -0.22750 -1.0 2.0
   66    56    58    68   0.15300  1.0 3.0
   66    56    80    79   0.31000  1.0 1.0
   66    56    80    79   0.14700 -1.0 2.0
   66    56    80    79   0.07550  1.0 3.0
   66    56    80    81   0.15000  1.0 3.0
   66    56    80    85   0.34400  1.0 1.0
   66    56    80    85   0.09450 -1.0 2.0
   66    56    80    85   0.11100  1.0 3.0
   67    66    70    71   7.00000 -1.0 2.0
   67    66    70    72   7.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    46   0.36750  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   45    43    47    48   0.19450  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    46    41    42  10.50000 -1.0 2.0
   68    79    73    74  10.50000 -1.0 2.0
   73    80    79    82   1.10000 -1.0 2.0
   54    64    57    61  15.00000 -1.0 2.0
   62    63    61    57  15.00000 -1.0 2.0
   57    69    64    65  10.50000 -1.0 2.0
   83    84    82    79   1.10000 -1.0 2.0
   56    67    66    70  15.00000 -1.0 2.0
   71    72    70    66  15.00000 -1.0 2.0
END
