* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    165    247     472
    1     0 S   NP   _N1_     1    29.06109    94.22694   -24.75229
    2     1 S   H    _HN1     2     1.02948    82.82135     8.78114
    3     1 S   H    _H1_     3     1.02828    24.34477  -175.35540
    4     1 S   H    _H2_     4     1.02793   115.33324   -98.17866
    5     1 S   CT   _CA1     5     1.50127   122.84913   118.48615
    6     5 S   HC   _HA1     6     1.09574   105.16424    83.10614
    7     5 S   CO3  _C1_     7     1.53770   112.43391   -37.10102
    8     7 S   O2Z  _O11     8     1.26377   115.00732   -43.12034
    9     7 S   O2Z  _O12     9     1.26234   114.94187   135.86498
   10     5 S   CT   _CB1    10     1.53055   107.39675  -158.93858
   11    10 S   HC   HB11    11     1.09841   109.33181   -49.40907
   12    10 S   HC   HB12    12     1.09811   110.47908    67.18085
   13    10 S   CT   _CG1    13     1.53019   112.64090  -170.34290
   14    13 S   HC   HG11    14     1.09570   110.72511   -67.15425
   15    13 S   HC   HG12    15     1.09670   109.71128    52.10299
   16    13 S   C    _CD1    16     1.51809   111.98023   172.57078
   17    16 S   O    _OE1    17     1.22756   123.16768    11.95428
   18    16 S   N    _N2_    18     1.38641   111.83186  -168.12109
   19    18 S   H    _HN2    19     1.01579   119.07604     0.79991
   20    18 S   CT1  _CA2    20     1.46193   123.31268   176.54521
   21    20 S   HC   _HA2    21     1.09740   109.14022     6.39206
   22    20 S   C    _C2_    22     1.53665   109.16020  -108.94062
   23    22 S   O    _O2_    23     1.23088   122.20515  -151.37406
   24    20 S   CT   _CB2    32     1.53412   111.65019   128.26869
   25    24 S   HC   HB21    33     1.09499   109.92280    55.53900
   26    24 S   HC   HB22    34     1.09312   109.76821   174.32608
   27    22 S   N    _N3_    24     1.38291   113.91729    36.24900
   28    27 S   H    _HN3    25     1.01547   119.57745    -3.32072
   29    24 S   S    _SG2    35     1.82887   110.99757   -65.21188
   30    27 S   CT   _CA3    26     1.45271   123.29023   177.03813
   31    30 S   HC   HA31    27     1.09548   107.49088   -65.45557
   32    30 S   HC   HA32    28     1.09557   108.01894    51.00399
   33    29 S   CT   _C18    36     1.88531   101.20407  -168.06339
   34    30 S   CO3  _C3_    29     1.52976   114.04623   173.05432
   35    34 S   O2Z  _O31    30     1.26384   116.08550     0.48578
   36    34 S   O2Z  _O32    31     1.26429   114.41527  -179.45070
   37    33 S   CO4  _C17    37     1.54933   105.06762    67.50227
   38    37 S   O    _O38    38     1.22513   124.77653  -112.04172
   39    33 S   CT   _C19    79     1.54758   106.34800  -177.54003
   40    39 S   HC   _H19    80     1.09544   112.30235    69.94606
   41    39 S   HC   _H20    81     1.09719   112.39731   -50.72288
   42    39 S   HC   _H21    82     1.09594   110.98429  -169.16144
   43    33 S   CT   _C20    83     1.58637   112.95700   -53.22067
   44    43 S   OM   _O39    84     1.32660   110.75782   -56.70131
   45    43 S   HC   _H9_    85     1.10031   106.12612    73.03656
   46    37 S   OS   _O37    39     1.36628   110.71515    66.14992
   47    43 S   CT   _C21    86     1.54963   111.92779  -174.20154
   48    47 S   HC   _H22    87     1.09757   113.07509    66.55556
   49    47 S   HC   _H23    88     1.09838   110.81610  -173.23740
   50    47 S   HC   _H24    89     1.09477   111.44818   -54.48714
   51    46 S   CT   _C9_    40     1.45088   119.09388  -178.52980
   52    51 S   HC   _H5_    41     1.09613   109.80336     9.73609
   53    51 S   CT   _C10    42     1.56200   106.78558  -107.55347
   54    53 S   HC   _H6_    43     1.09241   109.61788   -48.57024
   55    51 S   CT   _C8_    56     1.54840   107.90723   128.12717
   56    55 S   HC   _H4_    57     1.09805   108.55465   169.64588
   57    53 S   CM   _C11    44     1.51297   115.34636  -174.18099
   58    55 S   CM   _C22    58     1.49616   118.84626   -71.02678
   59    53 S   OH   _O36    77     1.43692   108.59697    64.16873
   60    59 S   HO   _H18    78     0.97397   108.01423    57.52173
   61    57 S   CM   _C12    45     1.34976   127.03376   125.75051
   62    61 S   HC   _H14    46     1.09023   117.46423   177.77886
   63    58 S   CO4  _C24    59     1.48632   107.57442   154.35034
   64    63 S   O    _O40    60     1.21729   127.02422   166.13661
   65    58 S   CM   _C23    62     1.33502   130.76204   -24.95316
   66    65 S   HC   _H25    63     1.08429   121.53563    -0.46646
   67    65 S   HC   _H26    64     1.08558   121.53881   179.46332
   68    57 S   CO4  _C15    70     1.49412   115.72348   -55.40349
   69    68 S   O    _O34    71     1.22303   123.09598   -36.82595
   70    61 S   C3T  _C13    47     1.47945   130.96147    -1.49855
   71    70 S   HC   _H7_    48     1.08541   113.26773    75.99229
   72    88 S   OS   _O41    61     1.42864   114.16783   -57.65996
   73    68 S   OS   _O35    72     1.35998   110.54698   139.35009
   74    70 S   C3T  _C14    49     1.53230   124.17986   -75.53744
   75    74 S   HC   _H8_    50     1.08654   117.06860   152.37140
   76    73 S   CT   _C16    73     1.43061   115.26341  -177.22992
   77    76 S   HC   _H15    74     1.09326   108.09790  -179.09865
   78    76 S   HC   _H16    75     1.09425   110.21881    62.24040
   79    76 S   HC   _H17    76     1.09425   110.33899   -60.37227
   80    74 S   CM   _C5_    51     1.47983   116.37557    14.00642
   81    70 S   O3T  _O33    69     1.44326   118.04743  -143.20331
   82    80 S   CM   _C6_    52     1.34860   118.39941    86.55919
   83    82 S   HC   _H13    53     1.09162   116.60579     8.69482
   84    80 S   CT   _C4_    65     1.50435   116.13359   -86.36778
   85    84 S   HC   _H10    66     1.09549   109.67363   -57.90546
   86    84 S   HC   _H11    67     1.09130   113.30784  -177.20628
   87    84 S   HC   _H12    68     1.09416   111.06662    61.53020
   88    82 S   CT   _C7_    54     1.49492   129.15575  -154.59616
   89    88 S   HC   _H3_    55     1.09909   107.25420  -174.84277
  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  12   5   4   3
  15   2   1   1  14   4   8   3   2   1   7   5   4  10   3   2
   1   1  17   8  14   6  15   7  12   9   3   1  10   5   8   3
   4   1   1   7   2   7   4   5   4  10   4   3   2   1   1   9
   2   7   3   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    51    39    40    41    42    43    44    45    47    48    49    50  
   35    36  
   36  
    0  
   38    46    51    52    53    55    39    40    41    42    43    44    45    47  
   46    51    39    43  
   40    41    42    43    44    45    47    46  
   41    42    43  
   42    43  
   43  
   44    45    47    48    49    50    46  
   45    47    48    49    50  
   47    48    49    50  
   51    52    53    54    57    88    55    56    58    59  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    57    61    82    88    89    55    56    58    63    72    65    68    59    60  
   53    54    57    88    55    56    58    59  
   54    57    61    62    70    88    55    56    58    68    69    73    59    60  
   57    61    55    68    59    60  
   56    58    63    64    72    65    66    67    59    57    80    82    83    88    89  
   58    63    72    65    82    88    89  
   61    62    70    71    74    81    68    69    73    76    59    60  
   63    64    72    65    66    67    82    88    89  
   60    61    68  
    0  
   62    70    71    74    75    80    81    68    69    73  
   70    71    74    81    68  
   64    72    65    66    67    82    88    89  
   72    65    88  
   66    67    72    88  
   67  
    0  
   69    73    76    77    78    79    70  
   73    76  
   71    74    75    80    82    84    81  
   74    75    80    81  
   80    82    83    88    89  
   76    77    78    79  
   75    80    82    83    88    84    85    86    87    81  
   80    82    84    81  
   77    78    79  
   78    79  
   79  
    0  
   82    83    88    89    84    85    86    87    81  
   82    84  
   83    88    89    84    85    86    87  
   88    89    84  
   85    86    87    88  
   86    87  
   87  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   570.000  1.229
   37    46   214.000  1.327
   46    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   317.000  1.510
   53    59   320.000  1.410
   57    61   549.000  1.340
   57    68   320.000  1.462
   61    62   340.000  1.080
   61    70   305.000  1.480
   70    71   340.000  1.088
   70    74   260.000  1.509
   70    81   335.000  1.432
   74    75   340.000  1.088
   74    80   305.000  1.480
   74    81   335.000  1.432
   80    82   549.000  1.340
   80    84   317.000  1.510
   82    83   340.000  1.080
   82    88   317.000  1.510
   88    89   340.000  1.090
   88    55   268.000  1.529
   88    72   320.000  1.410
   55    56   340.000  1.090
   55    58   317.000  1.510
   58    63   320.000  1.462
   58    65   549.000  1.340
   63    64   570.000  1.229
   63    72   214.000  1.327
   65    66   340.000  1.080
   65    67   340.000  1.080
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   68    69   570.000  1.229
   68    73   214.000  1.327
   73    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   59    60   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   570.000  1.307
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    46    81.00000  111.40000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    50.00000  109.50000
   33    43    45    37.50000  110.70000
   33    43    47    58.35000  112.70000
   37    46    51    83.00000  116.90000
   46    37    38    83.00000  123.40000
   46    51    52    35.00000  109.50000
   46    51    53    50.00000  109.50000
   46    51    55    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    57    70.00000  112.02700
   51    53    59    50.00000  109.50000
   51    55    88    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    58    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    57    61    70.00000  124.00000
   53    57    68    65.00000  116.34900
   53    59    60    55.00000  108.50000
   57    53    54    35.00000  109.50000
   57    61    62    35.00000  120.00000
   57    61    70    55.00000  125.06700
   57    68    69    80.00000  123.72100
   57    68    73    90.00000  111.29400
   61    70    71    40.00000  112.45000
   61    70    74    60.00000  120.58800
   61    70    81    85.00000  114.23300
   70    61    62    40.00000  117.24000
   70    74    75    37.50000  117.20000
   70    74    80    60.00000  120.58800
   70    74    81    15.00000   60.43100
   70    81    74    15.00000   59.14900
   74    70    71    37.50000  117.20000
   74    80    82    55.00000  125.06700
   74    80    84    65.00000  117.92700
   80    74    75    40.00000  112.45000
   80    82    83    35.00000  120.00000
   80    82    88    70.00000  124.00000
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    87    35.00000  109.50000
   82    88    89    35.00000  109.50000
   82    88    55    70.00000  112.02700
   82    88    72    85.00000  110.90400
   88    82    83    35.00000  117.00000
   88    55    56    37.50000  110.70000
   88    55    58    70.00000  112.02700
   88    72    63    83.00000  116.90000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    88    89    37.50000  110.70000
   55    58    63    65.00000  116.34900
   55    58    65    70.00000  124.00000
   58    55    56    35.00000  109.50000
   58    63    64    80.00000  123.72100
   58    63    72    90.00000  111.29400
   58    65    66    35.00000  120.00000
   58    65    67    35.00000  120.00000
   72    88    89    35.00000  109.50000
   72    88    55    50.00000  109.50000
   72    63    64    83.00000  123.40000
   65    58    63    65.00000  118.96000
   67    65    66    35.00000  117.00000
   84    80    82    70.00000  124.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   81    70    71    50.00000  114.27700
   81    70    74    15.00000   60.43100
   81    74    75    50.00000  114.27700
   81    74    80    85.00000  114.23300
   68    57    61    65.00000  118.96000
   68    73    76    83.00000  116.90000
   73    68    69    83.00000  123.40000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   59    53    54    35.00000  109.50000
   59    53    57    90.00000  110.39200
   39    33    37    63.00000  111.10000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    63.00000  111.10000
   43    33    39    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   45    43    44    45.00000  125.66300
   47    43    44    50.00000  109.50000
   47    43    45    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    46   0.40000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.56750  1.0 1.0
   29    33    43    44  -0.07550 -1.0 2.0
   29    33    43    44   0.20000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    47   0.44750  1.0 1.0
   29    33    43    47  -0.17800 -1.0 2.0
   29    33    43    47   0.20200  1.0 3.0
   33    37    46    51   1.63150  1.0 1.0
   33    37    46    51   2.92000 -1.0 2.0
   33    43    47    48   0.15000  1.0 3.0
   33    43    47    49   0.15000  1.0 3.0
   33    43    47    50   0.15000  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    33    43    44  -0.09450  1.0 1.0
   37    33    43    44  -1.12950 -1.0 2.0
   37    33    43    44   0.54000  1.0 3.0
   37    33    43    45  -0.11250  1.0 3.0
   37    33    43    47  -0.95700  1.0 1.0
   37    33    43    47  -0.18200 -1.0 2.0
   37    33    43    47   0.29450  1.0 3.0
   37    46    51    52   0.08050  1.0 3.0
   37    46    51    53  -0.25900  1.0 1.0
   37    46    51    53  -0.47000 -1.0 2.0
   37    46    51    53   0.11750  1.0 3.0
   37    46    51    55  -0.25900  1.0 1.0
   37    46    51    55  -0.47000 -1.0 2.0
   37    46    51    55   0.11750  1.0 3.0
   38    37    46    51   3.00000 -1.0 2.0
   46    51    53    54   0.23400  1.0 3.0
   46    51    53    57   0.61850  1.0 1.0
   46    51    53    57  -0.22750 -1.0 2.0
   46    51    53    57   0.15300  1.0 3.0
   46    51    53    59   3.69350  1.0 1.0
   46    51    53    59  -1.82950 -1.0 2.0
   46    51    55    88   0.62750  1.0 1.0
   46    51    55    88  -0.30950 -1.0 2.0
   46    51    55    88   0.27300  1.0 3.0
   46    51    55    56   0.23400  1.0 3.0
   46    51    55    58   0.61850  1.0 1.0
   46    51    55    58  -0.22750 -1.0 2.0
   46    51    55    58   0.15300  1.0 3.0
   51    53    57    61   0.09850  1.0 1.0
   51    53    57    61   0.15250 -1.0 2.0
   51    53    57    61  -0.50650  1.0 3.0
   51    53    57    68   0.09700  1.0 1.0
   51    53    57    68   0.15600 -1.0 2.0
   51    53    57    68  -0.50800  1.0 3.0
   51    53    59    60  -0.11600  1.0 1.0
   51    53    59    60  -0.09450 -1.0 2.0
   51    53    59    60   0.21250  1.0 3.0
   51    55    58    63   0.09700  1.0 1.0
   51    55    58    63   0.15600 -1.0 2.0
   51    55    58    63  -0.50800  1.0 3.0
   51    55    58    65   0.09850  1.0 1.0
   51    55    58    65   0.15250 -1.0 2.0
   51    55    58    65  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   52    51    53    59   0.23400  1.0 3.0
   52    51    55    88   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    88   0.56750  1.0 1.0
   53    51    55    88  -0.07550 -1.0 2.0
   53    51    55    88   0.20000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    58   0.34400  1.0 1.0
   53    51    55    58   0.09450 -1.0 2.0
   53    51    55    58   0.11100  1.0 3.0
   53    57    61    62   7.00000 -1.0 2.0
   53    57    61    70   7.00000 -1.0 2.0
   53    57    68    69  -0.64400  1.0 1.0
   53    57    68    69   0.26850 -1.0 2.0
   53    57    68    73  -0.15000  1.0 1.0
   53    57    68    73   0.89550 -1.0 2.0
   53    57    68    73  -0.06900  1.0 3.0
   54    53    57    61   0.00000  1.0 1.0
   54    53    57    68   0.15000  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   57    53    59    60  -0.07800  1.0 1.0
   57    53    59    60  -0.21500 -1.0 2.0
   57    53    59    60  -0.03150  1.0 3.0
   57    61    70    71   0.00000  1.0 1.0
   57    61    70    74   0.09850  1.0 1.0
   57    61    70    74   0.15250 -1.0 2.0
   57    61    70    74  -0.50650  1.0 3.0
   57    61    70    81   0.39000  1.0 1.0
   57    61    70    81  -0.05800 -1.0 2.0
   57    61    70    81  -0.55150  1.0 3.0
   57    68    73    76   2.00000 -1.0 2.0
   61    57    68    69   1.00000 -1.0 2.0
   61    57    68    73  -0.56150  1.0 1.0
   61    57    68    73   2.19150 -1.0 2.0
   61    70    74    75   0.15000  1.0 3.0
   61    70    74    80   0.31000  1.0 1.0
   61    70    74    80   0.14700 -1.0 2.0
   61    70    74    80   0.07550  1.0 3.0
   61    70   -74    81   0.61850  1.0 1.0
   61    70   -74    81  -0.22750 -1.0 2.0
   61    70   -74    81   0.15300  1.0 3.0
   61    70   -81    74  -0.77900  1.0 1.0
   61    70   -81    74  -0.36900 -1.0 2.0
   61    70   -81    74   0.40400  1.0 3.0
   62    61    70    71   0.33100  1.0 3.0
   62    61    70    74   0.00000  1.0 1.0
   62    61    70    81   0.00000  1.0 1.0
   70    74    80    82   0.09850  1.0 1.0
   70    74    80    82   0.15250 -1.0 2.0
   70    74    80    82  -0.50650  1.0 3.0
   70    74    80    84   0.46850  1.0 1.0
   70    74    80    84   0.08550 -1.0 2.0
   70    74    80    84   0.09800  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    80   0.15000  1.0 3.0
   71    70   -74    81   0.23400  1.0 3.0
   71    70   -81    74   0.36800  1.0 3.0
   74    80    82    83   7.00000 -1.0 2.0
   74    80    82    88   7.00000 -1.0 2.0
   74    80    84    85   0.34800  1.0 3.0
   74    80    84    86   0.34800  1.0 3.0
   74    80    84    87   0.34800  1.0 3.0
   75    74    80    82   0.00000  1.0 1.0
   75    74    80    84   0.34800  1.0 3.0
   75    74   -81    70   0.36800  1.0 3.0
   80    74   -81    70  -0.77900  1.0 1.0
   80    74   -81    70  -0.36900 -1.0 2.0
   80    74   -81    70   0.40400  1.0 3.0
   80    82    88    89   0.00000  1.0 1.0
   80    82    88    55   0.09850  1.0 1.0
   80    82    88    55   0.15250 -1.0 2.0
   80    82    88    55  -0.50650  1.0 3.0
   80    82    88    72   0.39000  1.0 1.0
   80    82    88    72  -0.05800 -1.0 2.0
   80    82    88    72  -0.55150  1.0 3.0
   82    80    84    85   0.00000  1.0 1.0
   82    80    84    86   0.00000  1.0 1.0
   82    80    84    87   0.00000  1.0 1.0
   82    88    55    51   0.34400  1.0 1.0
   82    88    55    51   0.09450 -1.0 2.0
   82    88    55    51   0.11100  1.0 3.0
   82    88    55    56   0.15000  1.0 3.0
   82    88    55    58   0.31000  1.0 1.0
   82    88    55    58   0.14700 -1.0 2.0
   82    88    55    58   0.07550  1.0 3.0
   82    88    72    63  -0.82050  1.0 1.0
   82    88    72    63   0.00600 -1.0 2.0
   82    88    72    63   0.04400  1.0 3.0
   83    82    88    89   0.33100  1.0 3.0
   83    82    88    55   0.00000  1.0 1.0
   83    82    88    72   0.00000  1.0 1.0
   88    55   -58    63   0.09700  1.0 1.0
   88    55   -58    63   0.15600 -1.0 2.0
   88    55   -58    63  -0.50800  1.0 3.0
   88    55    58    65   0.09850  1.0 1.0
   88    55    58    65   0.15250 -1.0 2.0
   88    55    58    65  -0.50650  1.0 3.0
   89    88    55    51   0.15000  1.0 3.0
   89    88    55    56   0.15000  1.0 3.0
   89    88    55    58   0.15000  1.0 3.0
   89    88    72    63   0.08050  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    57   0.34400  1.0 1.0
   55    51    53    57   0.09450 -1.0 2.0
   55    51    53    57   0.11100  1.0 3.0
   55    51    53    59   0.86500  1.0 1.0
   55    51    53    59  -0.17500 -1.0 2.0
   55    51    53    59   0.20800  1.0 3.0
   55    88   -72    63  -0.25900  1.0 1.0
   55    88   -72    63  -0.47000 -1.0 2.0
   55    88   -72    63   0.11750  1.0 3.0
   55    58    63    64  -0.64400  1.0 1.0
   55    58    63    64   0.26850 -1.0 2.0
   55    58   -63    72  -0.15000  1.0 1.0
   55    58   -63    72   0.89550 -1.0 2.0
   55    58   -63    72  -0.06900  1.0 3.0
   55    58    65    66   7.00000 -1.0 2.0
   55    58    65    67   7.00000 -1.0 2.0
   56    55    58    63   0.15000  1.0 3.0
   56    55    58    65   0.00000  1.0 1.0
   58    63   -72    88   2.00000 -1.0 2.0
   63    58    65    66   7.00000 -1.0 2.0
   63    58    65    67   7.00000 -1.0 2.0
   64    63    72    88   3.00000 -1.0 2.0
   72    88    55    51   0.62750  1.0 1.0
   72    88    55    51  -0.30950 -1.0 2.0
   72    88    55    51   0.27300  1.0 3.0
   72    88    55    56   0.23400  1.0 3.0
   72    88   -55    58   0.61850  1.0 1.0
   72    88   -55    58  -0.22750 -1.0 2.0
   72    88   -55    58   0.15300  1.0 3.0
   65    58    63    64   1.00000 -1.0 2.0
   65    58    63    72  -0.56150  1.0 1.0
   65    58    63    72   2.19150 -1.0 2.0
   84    80    82    83   7.00000 -1.0 2.0
   84    80    82    88   7.00000 -1.0 2.0
   81    70   -74    75   0.23400  1.0 3.0
   81    70   -74    80   0.61850  1.0 1.0
   81    70   -74    80  -0.22750 -1.0 2.0
   81    70   -74    80   0.15300  1.0 3.0
   81    74    80    82   0.39000  1.0 1.0
   81    74    80    82  -0.05800 -1.0 2.0
   81    74    80    82  -0.55150  1.0 3.0
   81    74    80    84   0.09700  1.0 1.0
   81    74    80    84   0.15600 -1.0 2.0
   81    74    80    84  -0.50800  1.0 3.0
   68    57    61    62   7.00000 -1.0 2.0
   68    57    61    70   7.00000 -1.0 2.0
   68    73    76    77   0.08050  1.0 3.0
   68    73    76    78   0.08050  1.0 3.0
   68    73    76    79   0.08050  1.0 3.0
   69    68    73    76   3.00000 -1.0 2.0
   59    53    57    61   0.67800  1.0 1.0
   59    53    57    61   0.47050 -1.0 2.0
   59    53    57    61  -0.62500  1.0 3.0
   59    53    57    68   0.09700  1.0 1.0
   59    53    57    68   0.15600 -1.0 2.0
   59    53    57    68  -0.50800  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    46   0.36750  1.0 3.0
   39    33    43    44   0.62750  1.0 1.0
   39    33    43    44  -0.30950 -1.0 2.0
   39    33    43    44   0.27300  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    47   0.56750  1.0 1.0
   39    33    43    47  -0.07550 -1.0 2.0
   39    33    43    47   0.20000  1.0 3.0
   43    33    37    38   0.30150 -1.0 2.0
   43    33    37    46   0.36750  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    47    48   0.23400  1.0 3.0
   44    43    47    49   0.23400  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    46    37    38  10.50000 -1.0 2.0
   53    68    57    61   1.10000 -1.0 2.0
   70    62    61    57   1.10000 -1.0 2.0
   74    84    80    82   1.10000 -1.0 2.0
   88    83    82    80   1.10000 -1.0 2.0
   55    63    58    65   1.10000 -1.0 2.0
   58    72    63    64  10.50000 -1.0 2.0
   66    67    65    58   1.10000 -1.0 2.0
   57    73    68    69  10.50000 -1.0 2.0
END
