* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    163    267     488
    1     0 S   NP   _N1_     1    28.98146    90.95890   -19.77726
    2     1 S   H    _HN1     2     1.02764    85.17633   -78.36523
    3     1 S   H    _H1_     3     1.02926   109.85275    29.43705
    4     1 S   H    _H2_     4     1.02829    23.60071   116.79664
    5     1 S   CT   _CA1     5     1.50093   127.45223   167.17651
    6     5 S   HC   _HA1     6     1.09559   105.29117    39.76254
    7     5 S   CO3  _C1_     7     1.53853   112.16518   -80.63663
    8     7 S   O2Z  _O11     8     1.26389   115.02472   -45.19292
    9     7 S   O2Z  _O12     9     1.26235   114.91386   133.80800
   10     5 S   CT   _CB1    10     1.53014   107.40777   157.83399
   11    10 S   HC   HB11    11     1.09816   109.61990   -48.36785
   12    10 S   HC   HB12    12     1.09760   110.22460    68.29436
   13    10 S   CT   _CG1    13     1.53033   112.74091  -169.65788
   14    13 S   HC   HG11    14     1.09582   110.29203   -58.86612
   15    13 S   HC   HG12    15     1.09600   110.30471    60.46317
   16    13 S   C    _CD1    16     1.51761   111.74807  -179.34329
   17    16 S   O    _OE1    17     1.22737   123.02878   -14.33160
   18    16 S   N    _N2_    18     1.38606   111.92693   166.01272
   19    18 S   H    _HN2    19     1.01556   119.31740     3.25083
   20    18 S   CT1  _CA2    20     1.46278   123.05647  -174.06561
   21    20 S   HC   _HA2    21     1.09748   109.25825    -7.89856
   22    20 S   C    _C2_    22     1.53343   108.98076  -123.82837
   23    22 S   O    _O2_    23     1.23032   122.20646  -147.72340
   24    20 S   CT   _CB2    32     1.53763   111.37191   113.45981
   25    24 S   HC   HB21    33     1.09507   109.23654    61.39958
   26    24 S   HC   HB22    34     1.09158   109.47422  -179.82196
   27    22 S   N    _N3_    24     1.38510   113.47005    39.78248
   28    27 S   H    _HN3    25     1.01519   118.87031    -0.67348
   29    24 S   S    _SG2    35     1.83231   110.71937   -59.55171
   30    27 S   CT   _CA3    26     1.45421   123.39838   175.24972
   31    30 S   HC   HA31    27     1.09526   109.23728    25.32901
   32    30 S   HC   HA32    28     1.09499   107.15350   142.28293
   33    29 S   CT   _C18    36     1.88917   103.81756   179.30423
   34    33 S   OM   _O37    37     1.31562   106.46671   -48.88610
   35    30 S   CO3  _C3_    29     1.52890   112.98404   -98.15015
   36    35 S   O2Z  _O31    30     1.26409   115.30995   -48.74941
   37    35 S   O2Z  _O32    31     1.26345   115.06121   132.18639
   38    33 S   CM   _C19    38     1.52858   108.12634    73.33557
   39    33 S   CT   _C17    70     1.57974   105.94917  -167.47333
   40    39 S   HC   _H4_    71     1.09878   108.90662    34.18880
   41    38 S   CMA  _C21    39     1.36449   123.87741    80.18571
   42    41 S   OM   _O34    40     1.26751   130.47579   177.36671
   43    39 S   NP   _N5_    72     1.57491   115.94951   148.60814
   44    43 S   H    _H16    73     1.02715   104.36677   164.19506
   45    38 S   C    _C20    84     1.50621   120.11043  -104.45117
   46    45 S   O    _O33    85     1.22753   122.27746   -66.20902
   47    41 S   CT   _C22    41     1.55051   117.49414    -0.55107
   48    43 S   CT   _C24    74     1.50763   114.40069   -83.98204
   49    48 S   HC   _H17    75     1.09026   110.09449    74.75246
   50    48 S   HC   _H18    76     1.09387   107.47611  -165.50225
   51    48 S   HC   _H19    77     1.09285   108.41374   -47.31902
   52    43 S   CT   _C25    78     1.50783   116.43785    49.43817
   53    52 S   HC   _H20    79     1.09090   109.85196   -79.17742
   54    52 S   HC   _H21    80     1.09117   109.25855    43.25185
   55    52 S   HC   _H22    81     1.09389   107.26280   161.74084
   56    45 S   N    _N4_    86     1.37415   113.82014   114.16630
   57    56 S   H    _H13    87     1.01430   121.80386     2.83683
   58    56 S   H    _H14    88     1.01262   120.62617   179.81655
   59    47 S   CO4  _C23    42     1.53214   112.25401   -88.25818
   60    59 S   O    _O35    43     1.23139   121.29635   -39.79483
   61    47 S   OH   _O36    82     1.44916   111.84397   159.46205
   62    61 S   HO   _H15    83     0.97510   105.84422    33.11254
   63    59 S   CA   _C13    44     1.50187   119.57364   143.22854
   64    63 S   CA   _C14    45     1.40281   119.95984     8.91564
   65    63 S   CA   _C12    56     1.41114   120.48421  -170.88033
   66    64 S   CA   _C5_    46     1.42148   119.26817   176.60667
   67    65 S   OH   _O38    57     1.37709   120.58287     0.54644
   68    67 S   HO   _H23    58     0.97232   109.92616     0.00000
   69    64 S   CT   _C15    65     1.51203   120.14567    -0.73595
   70    69 S   HC   _H11    66     1.09765   107.72447    91.51281
   71    69 S   HC   _H12    67     1.09543   111.00610  -151.73814
   72    66 S   CA   _C6_    47     1.43145   120.79069     6.60542
   73    66 S   CT   _C4_    61     1.51774   119.56956  -174.72214
   74    73 S   HC   _H5_    62     1.09405   110.06591   -93.67741
   75    73 S   HC   _H6_    63     1.09378   112.25355    28.20827
   76    73 S   HC   _H7_    64     1.09422   111.63102   144.30828
   77    47 S   CT   _C16    68     1.52676   111.37765    41.46072
   78    77 S   HC   _H3_    69     1.10049   105.26426    75.17209
   79    72 S   CA   _C7_    48     1.41897   122.23276   174.29487
   80    79 S   HA   _H8_    49     1.08768   121.04787    -2.16681
   81    79 S   CA   _C8_    50     1.39361   122.79448   178.55572
   82    81 S   HA   _H9_    51     1.08591   120.02373  -179.50623
   83    81 S   CA   _C9_    52     1.38053   119.58032     0.44631
   84    83 S   HA   _H10    53     1.08585   119.54045  -179.70525
   85    83 S   CA   _C10    54     1.39547   119.25617     0.51510
   86    72 S   CA   _C11    55     1.41924   119.83148    -5.57573
   87    85 S   OH   _O39    59     1.37433   117.25256   179.69933
   88    87 S   HO   _H24    60     0.97127   109.57918    -1.68237
  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   9   5   4   3
  17   7   2   1   1  14  22   8  13   5  13   9   5   3  12   8
   3   2   1   4   2   1   1   2   1   1  12   5   5   1  13  15
  10  14   4   1   6   3   2  12   5   2   1   1   1   1   7   4
   6   3   5   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    77    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    69    77    78    39    40    43    44    48    52    45    46    56  
   38    41    77    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    59    77    39    40    43    61    45    46    56    57    58  
   40    43    44    48    49    50    51    52    53    54    55    61    45    41    47    59    64    69    70    71    77    78  
   43    44    48    52    47    69    77    78  
   42    47    59    60    63    69    77    78    61    62    45    46    56  
   47    59    77    61    45  
   44    48    49    50    51    52    53    54    55    47    69    77    78  
   48    49    50    51    52    53    54    55    77  
   46    56    57    58    47  
   56    57    58  
   59    60    63    64    65    69    70    71    77    78    61    62  
   49    50    51    52    53    54    55    77  
   50    51    52  
   51    52  
   52  
   53    54    55    77  
   54    55  
   55  
    0  
   57    58  
   58  
    0  
   60    63    64    66    86    65    67    69    77    78    61    62  
   63    64    65    77    61  
   62    63    69    77    78  
   77  
   64    66    72    85    86    65    67    68    73    69    70    71    77  
   66    72    79    86    65    67    73    74    75    76    69    70    71    77    78  
   67    68    87    69    66    72    79    83    85    86  
   72    79    80    81    85    86    73    74    75    76    69    70    71    77  
   68    72    85    86  
   86  
   70    71    77    78    72    73  
   71    77    78  
   77    78  
   79    80    81    82    83    85    86    87    73    74    75    76  
   74    75    76    79    86  
   75    76  
   76  
    0  
   78  
    0  
   80    81    82    83    84    85    86  
   81    82    83    86  
   82    83    84    85    86    87  
   83    84    85  
   84    85    86    87    88  
   85    86    87  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   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   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    45   410.000  1.444
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    59   317.000  1.522
   47    77   268.000  1.529
   47    61   320.000  1.410
   59    60   570.000  1.229
   59    63   310.000  1.470
   63    64   469.000  1.400
   63    65   469.000  1.400
   64    66   469.000  1.400
   64    69   317.000  1.510
   66    72   469.000  1.400
   66    73   317.000  1.510
   72    79   469.000  1.400
   72    86   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   469.000  1.400
   85    87   450.000  1.364
   86    65   469.000  1.400
   65    67   450.000  1.364
   67    68   553.000  0.945
   87    88   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    39   268.000  1.529
   39    40   340.000  1.090
   39    43   367.000  1.471
   43    44   434.000  1.010
   43    48   367.000  1.471
   43    52   367.000  1.471
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   61    62   553.000  0.945
   45    46   570.000  1.229
   45    56   490.000  1.335
   56    57   434.000  1.010
   56    58   434.000  1.010
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    45    70.00000  119.70000
   33    39    77    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    80.00000  111.20000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   38    45    46    80.00000  125.30000
   38    45    56    80.00000  111.56200
   41    47    59    70.00000  109.06800
   41    47    77    70.00000  112.02700
   41    47    61    90.00000  110.39200
   47    41    42    85.00000  112.85300
   47    59    60    80.00000  120.40000
   47    59    63    65.00000  115.47100
   47    77    69    58.35000  112.70000
   47    77    78    37.50000  110.70000
   47    77    39    58.35000  112.70000
   47    61    62    55.00000  108.50000
   59    63    64    60.00000  119.52600
   59    63    65    60.00000  119.52600
   63    59    60    75.00000  123.78400
   63    64    66    63.00000  120.00000
   63    64    69    70.00000  120.00000
   63    65    86    63.00000  120.00000
   63    65    67    70.00000  120.00000
   64    66    72    63.00000  120.00000
   64    66    73    70.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    77    70.00000  112.17500
   66    72    79    63.00000  120.00000
   66    72    86    63.00000  120.00000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   72    79    80    35.00000  120.00000
   72    79    81    63.00000  120.00000
   72    86    85    63.00000  120.00000
   72    86    65    63.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    63.00000  120.00000
   83    85    87    70.00000  120.00000
   85    83    84    35.00000  120.00000
   85    86    65    63.00000  120.00000
   85    87    88    35.00000  113.00000
   86    72    79    63.00000  120.00000
   86    65    67    70.00000  120.00000
   65    63    64    63.00000  120.00000
   65    67    68    35.00000  113.00000
   87    85    86    70.00000  120.00000
   73    66    72    70.00000  120.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   69    64    66    70.00000  120.00000
   69    77    78    37.50000  110.70000
   69    77    39    58.35000  112.70000
   71    69    70    33.00000  107.80000
   77    47    59    63.00000  111.10000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   77    39    40    37.50000  110.70000
   77    39    43    80.00000  111.20000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    77    78    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    48    75.00000  113.01200
   39    43    52    75.00000  113.01200
   43    39    40    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   43    52    53    35.00000  109.50000
   43    52    54    35.00000  109.50000
   43    52    55    35.00000  109.50000
   48    43    44    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    43    44    35.00000  109.50000
   52    43    48    75.00000  113.01200
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   61    47    59    90.00000  109.61100
   61    47    77    50.00000  109.50000
   45    38    41    60.00000  120.04000
   45    56    57    35.00000  119.80000
   45    56    58    35.00000  119.80000
   56    45    46    80.00000  122.90000
   58    56    57    35.00000  120.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    45   0.09700  1.0 1.0
   29    33    38    45   0.15600 -1.0 2.0
   29    33    38    45  -0.50800  1.0 3.0
   29    33    39    77   0.44750  1.0 1.0
   29    33    39    77  -0.17800 -1.0 2.0
   29    33    39    77   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    45    46  -0.64400  1.0 1.0
   33    38    45    46   0.26850 -1.0 2.0
   33    38    45    56   1.59650  1.0 1.0
   33    38    45    56   0.42750 -1.0 2.0
   33    38    45    56  -0.48350  1.0 3.0
   33    39    43    44   0.17350  1.0 3.0
   33    39    43    48   0.47100  1.0 1.0
   33    39    43    52   0.47100  1.0 1.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    45   0.09700  1.0 1.0
   34    33    38    45   0.15600 -1.0 2.0
   34    33    38    45  -0.50800  1.0 3.0
   34    33    39    77   0.62750  1.0 1.0
   34    33    39    77  -0.30950 -1.0 2.0
   34    33    39    77   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.69300  1.0 1.0
   34    33    39    43  -0.48450 -1.0 2.0
   38    33    39    77   0.34400  1.0 1.0
   38    33    39    77   0.09450 -1.0 2.0
   38    33    39    77   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43  -0.47300  1.0 1.0
   38    33    39    43   0.29700 -1.0 2.0
   38    33    39    43   0.83300  1.0 3.0
   38    41    47    59  -0.51250  1.0 1.0
   38    41    47    59  -0.88800 -1.0 2.0
   38    41    47    59   0.08850  1.0 3.0
   38    41   -47    77   0.09850  1.0 1.0
   38    41   -47    77   0.15250 -1.0 2.0
   38    41   -47    77  -0.50650  1.0 3.0
   38    41    47    61   0.67800  1.0 1.0
   38    41    47    61   0.47050 -1.0 2.0
   38    41    47    61  -0.62500  1.0 3.0
   38    45    56    57   2.56700 -1.0 2.0
   38    45    56    58   2.56700 -1.0 2.0
   41    38    45    46   1.00000 -1.0 2.0
   41    38    45    56   0.49500  1.0 1.0
   41    38    45    56   1.31600 -1.0 2.0
   41    38    45    56  -0.02300  1.0 3.0
   41    47    59    60   0.30150 -1.0 2.0
   41    47    59    63   0.65300  1.0 1.0
   41    47    59    63  -0.03850 -1.0 2.0
   41    47    59    63   0.33900  1.0 3.0
   41    47    77    69   0.34400  1.0 1.0
   41    47    77    69   0.09450 -1.0 2.0
   41    47    77    69   0.11100  1.0 3.0
   41    47    77    78   0.15000  1.0 3.0
   41    47    77    39   0.34400  1.0 1.0
   41    47    77    39   0.09450 -1.0 2.0
   41    47    77    39   0.11100  1.0 3.0
   41    47    61    62  -0.07800  1.0 1.0
   41    47    61    62  -0.21500 -1.0 2.0
   41    47    61    62  -0.03150  1.0 3.0
   42    41    47    59   0.09700  1.0 1.0
   42    41    47    59   0.15600 -1.0 2.0
   42    41    47    59  -0.50800  1.0 3.0
   42    41    47    77   0.09700  1.0 1.0
   42    41    47    77   0.15600 -1.0 2.0
   42    41    47    77  -0.50800  1.0 3.0
   42    41    47    61   0.09700  1.0 1.0
   42    41    47    61   0.15600 -1.0 2.0
   42    41    47    61  -0.50800  1.0 3.0
   47    59    63    64   2.26350  1.0 1.0
   47    59    63    64   0.76750 -1.0 2.0
   47    59    63    64   0.22500  1.0 3.0
   47    59    63    65   2.26350  1.0 1.0
   47    59    63    65   0.76750 -1.0 2.0
   47    59    63    65   0.22500  1.0 3.0
   47    77   -39    33   0.56750  1.0 1.0
   47    77   -39    33  -0.07550 -1.0 2.0
   47    77   -39    33   0.20000  1.0 3.0
   47    77    39    40   0.15000  1.0 3.0
   47    77    39    43   1.36600  1.0 1.0
   47    77    39    43  -0.11450 -1.0 2.0
   47    77    39    43   0.24250  1.0 3.0
   59    47    77    69  -0.95700  1.0 1.0
   59    47    77    69  -0.18200 -1.0 2.0
   59    47    77    69   0.29450  1.0 3.0
   59    47    77    78  -0.11250  1.0 3.0
   59    47    77    39  -0.95700  1.0 1.0
   59    47    77    39  -0.18200 -1.0 2.0
   59    47    77    39   0.29450  1.0 3.0
   59    47    61    62   0.91850  1.0 1.0
   59    47    61    62   0.57950  1.0 3.0
   59    63    64    66   3.62500 -1.0 2.0
   59    63   -64    69   3.62500 -1.0 2.0
   59    63    65    86   3.62500 -1.0 2.0
   59    63    65    67   3.62500 -1.0 2.0
   60    59    63    64   1.05000 -1.0 2.0
   60    59    63    65   1.05000 -1.0 2.0
   63    64    66    72   3.62500 -1.0 2.0
   63    64    66    73   3.62500 -1.0 2.0
   63    64    69    70   0.00000  1.0 1.0
   63    64    69    71   0.00000  1.0 1.0
   63    64    69    77   0.04150 -1.0 2.0
   63    65    67    68   0.84100 -1.0 2.0
   64    63    65    86   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   64    66    72    79   3.62500 -1.0 2.0
   64    66   -72    86   3.62500 -1.0 2.0
   64    66    73    74   0.00000  1.0 1.0
   64    66    73    75   0.00000  1.0 1.0
   64    66    73    76   0.00000  1.0 1.0
   64    69   -77    47  -0.03700  1.0 1.0
   64    69   -77    47   0.37200 -1.0 2.0
   64    69   -77    47  -0.47300  1.0 3.0
   64    69    77    78   0.43200  1.0 3.0
   64    69    77    39  -0.03700  1.0 1.0
   64    69    77    39   0.37200 -1.0 2.0
   64    69    77    39  -0.47300  1.0 3.0
   66    64    69    70   0.00000  1.0 1.0
   66    64    69    71   0.00000  1.0 1.0
   66    64    69    77   0.04150 -1.0 2.0
   66    72    79    80   3.62500 -1.0 2.0
   66    72    79    81   3.62500 -1.0 2.0
   66    72    86    85   3.62500 -1.0 2.0
   66    72    86    65   3.62500 -1.0 2.0
   72    66    73    74   0.00000  1.0 1.0
   72    66    73    75   0.00000  1.0 1.0
   72    66    73    76   0.00000  1.0 1.0
   72    79    81    82   3.62500 -1.0 2.0
   72    79    81    83   3.62500 -1.0 2.0
   72    86   -65    63   3.62500 -1.0 2.0
   72    86    65    67   3.62500 -1.0 2.0
   79    72    86    85   3.62500 -1.0 2.0
   79    72    86    65   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   79    81   -83    85   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   81    83    85    87   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   83    85   -86    72   3.62500 -1.0 2.0
   83    85    86    65   3.62500 -1.0 2.0
   83    85    87    88   0.84100 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    86    65    63   3.62500 -1.0 2.0
   85    86    65    67   3.62500 -1.0 2.0
   86    72    79    80   3.62500 -1.0 2.0
   86    72   -79    81   3.62500 -1.0 2.0
   86    85    87    88   0.84100 -1.0 2.0
   86    65    67    68   0.84100 -1.0 2.0
   65    63   -64    66   3.62500 -1.0 2.0
   65    63    64    69   3.62500 -1.0 2.0
   87    85    86    72   3.62500 -1.0 2.0
   87    85    86    65   3.62500 -1.0 2.0
   73    66    72    79   3.62500 -1.0 2.0
   73    66    72    86   3.62500 -1.0 2.0
   69    64    66    72   3.62500 -1.0 2.0
   69    64    66    73   3.62500 -1.0 2.0
   69    77    39    33   0.56750  1.0 1.0
   69    77    39    33  -0.07550 -1.0 2.0
   69    77    39    33   0.20000  1.0 3.0
   69    77    39    40   0.15000  1.0 3.0
   69    77    39    43   1.36600  1.0 1.0
   69    77    39    43  -0.11450 -1.0 2.0
   69    77    39    43   0.24250  1.0 3.0
   70    69    77    47   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    39   0.15000  1.0 3.0
   71    69    77    47   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    39   0.15000  1.0 3.0
   77    47    59    60   0.30150 -1.0 2.0
   77    47   -59    63   0.05850 -1.0 2.0
   77    47   -59    63   0.17250  1.0 3.0
   77    47    61    62  -0.11600  1.0 1.0
   77    47    61    62  -0.09450 -1.0 2.0
   77    47    61    62   0.21250  1.0 3.0
   77    39    43    44   0.17350  1.0 3.0
   77    39    43    48   0.47100  1.0 1.0
   77    39    43    52   0.47100  1.0 1.0
   78    77    39    33   0.15000  1.0 3.0
   78    77    39    40   0.15000  1.0 3.0
   78    77    39    43   0.19200  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  1.0 3.0
   39    43    48    49   0.15000  1.0 3.0
   39    43    48    50   0.15000  1.0 3.0
   39    43    48    51   0.15000  1.0 3.0
   39    43    52    53   0.15000  1.0 3.0
   39    43    52    54   0.15000  1.0 3.0
   39    43    52    55   0.15000  1.0 3.0
   40    39    43    44   0.13050  1.0 3.0
   40    39    43    48   0.15000  1.0 3.0
   40    39    43    52   0.15000  1.0 3.0
   44    43    48    49   0.13050  1.0 3.0
   44    43    48    50   0.13050  1.0 3.0
   44    43    48    51   0.13050  1.0 3.0
   44    43    52    53   0.13050  1.0 3.0
   44    43    52    54   0.13050  1.0 3.0
   44    43    52    55   0.13050  1.0 3.0
   48    43    52    53   0.15000  1.0 3.0
   48    43    52    54   0.15000  1.0 3.0
   48    43    52    55   0.15000  1.0 3.0
   52    43    48    49   0.15000  1.0 3.0
   52    43    48    50   0.15000  1.0 3.0
   52    43    48    51   0.15000  1.0 3.0
   61    47    59    60   0.30150 -1.0 2.0
   61    47    59    63   0.65300  1.0 1.0
   61    47    59    63  -0.03850 -1.0 2.0
   61    47    59    63   0.33900  1.0 3.0
   61    47    77    69   0.86500  1.0 1.0
   61    47    77    69  -0.17500 -1.0 2.0
   61    47    77    69   0.20800  1.0 3.0
   61    47    77    78   0.23400  1.0 3.0
   61    47    77    39   0.86500  1.0 1.0
   61    47    77    39  -0.17500 -1.0 2.0
   61    47    77    39   0.20800  1.0 3.0
   45    38    41    42   7.00000 -1.0 2.0
   45    38    41    47   7.00000 -1.0 2.0
   46    45    56    57   2.45000 -1.0 2.0
   46    45    56    58   2.45000 -1.0 2.0
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
   33    45    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   47    63    59    60  10.50000 -1.0 2.0
   64    65    63    59   4.00000 -1.0 2.0
   66    69    64    63   4.00000 -1.0 2.0
   72    73    66    64   4.00000 -1.0 2.0
   79    86    72    66   4.00000 -1.0 2.0
   81    80    79    72   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   86    87    85    83   4.00000 -1.0 2.0
   85    65    86    72   4.00000 -1.0 2.0
   86    67    65    63   4.00000 -1.0 2.0
   38    56    45    46  10.50000 -1.0 2.0
   58    45    56    57   1.00000 -1.0 2.0
END
