* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    163    257     485
    1     0 S   NP   _N1_     1    30.80489    90.21142   -26.02533
    2     1 S   H    _HN1     2     1.02783    10.07860   -40.56570
    3     1 S   H    _H1_     3     1.02764   114.15737   -95.56189
    4     1 S   H    _H2_     4     1.03188   111.41208    26.76387
    5     1 S   CT   _CA1     5     1.50252   100.98439   143.96575
    6     5 S   HC   _HA1     6     1.09564   105.25606    64.79338
    7     5 S   CO3  _C1_     7     1.53791   112.62796   -55.32567
    8     7 S   O2Z  _O11     8     1.26343   115.17120   -38.42153
    9     7 S   O2Z  _O12     9     1.26269   114.91091   140.64883
   10     5 S   CT   _CB1    10     1.52891   106.91230  -177.31329
   11    10 S   HC   HB11    11     1.09833   109.09955   -49.68136
   12    10 S   HC   HB12    12     1.09755   110.17091    66.48512
   13    10 S   CT   _CG1    13     1.53025   113.67282  -171.51594
   14    13 S   HC   HG11    14     1.09516   110.31914   -61.05211
   15    13 S   HC   HG12    15     1.09555   110.68053    58.64141
   16    13 S   C    _CD1    16     1.51676   110.41747   178.03258
   17    16 S   O    _OE1    17     1.22836   122.53950   -30.34818
   18    16 S   N    _N2_    18     1.38504   112.89571   150.46157
   19    18 S   H    _HN2    19     1.01557   119.48294     5.89834
   20    18 S   CT1  _CA2    20     1.46031   122.60530  -175.12625
   21    20 S   HC   _HA2    21     1.09678   108.88259    10.59296
   22    20 S   C    _C2_    22     1.53604   110.40496  -105.23451
   23    22 S   O    _O2_    23     1.23144   121.81225  -153.37804
   24    20 S   CT   _CB2    32     1.53525   111.95337   131.68026
   25    24 S   HC   HB21    33     1.09667   109.55409    71.10683
   26    24 S   HC   HB22    34     1.09599   110.30574  -172.15492
   27    22 S   N    _N3_    24     1.38178   114.34626    33.90868
   28    27 S   H    _HN3    25     1.01555   119.75410    -3.20607
   29    24 S   S    _SG2    35     1.82945   116.12249   -48.92681
   30    27 S   CT   _CA3    26     1.45316   123.02926   176.98981
   31    30 S   HC   HA31    27     1.09556   107.50019   -64.28728
   32    30 S   HC   HA32    28     1.09563   107.96066    52.10190
   33    29 S   CT   _C23    36     1.82791   100.68212   -55.62857
   34    33 S   HC   _H26    37     1.09514   108.97184   -47.96671
   35    33 S   HC   _H27    38     1.09099   107.40239    69.59665
   36    30 S   CO3  _C3_    29     1.52921   114.22795   174.12924
   37    36 S   O2Z  _O31    30     1.26348   116.09421    -0.27766
   38    36 S   O2Z  _O32    31     1.26442   114.39535   179.79158
   39    33 S   CT   _C11    39     1.53294   110.06768  -170.06831
   40    39 S   HC   _H5_    40     1.09184   111.52809   -34.88795
   41    39 S   CO4  _C12    41     1.51882   111.68341    87.33558
   42    41 S   O    _O35    42     1.22118   126.33494   -42.95958
   43    41 S   OS   _O36    43     1.37319   109.88407   136.93289
   44    43 S   CT   _C13    44     1.45246   110.06992     8.47262
   45    44 S   HC   _H6_    45     1.09646   107.13470  -144.73731
   46    39 S   CT   _C10    46     1.53112   113.12168  -160.87624
   47    46 S   HC   _H4_    47     1.10374   104.43536   -44.95034
   48    44 S   CT   _C14    61     1.54502   105.79040    99.09793
   49    48 S   HC   _H7_    62     1.09843   105.70862    52.15161
   50    46 S   CT   _C9_    48     1.54272   117.87655    71.71057
   51    50 S   HC   _H3_    49     1.09662   110.08286   -34.40181
   52    48 S   OH   _O38    63     1.42849   110.91438   -58.88403
   53    52 S   HO   _H25    64     0.97275   107.80987   169.34905
   54    50 S   CT   _C17    50     1.54097   117.94858    90.46219
   55    50 S   OS   _O34    73     1.46278   106.53849  -150.58002
   56    54 S   CO4  _C18    51     1.53024   110.98414   170.88430
   57    56 S   O    _O37    52     1.22280   126.22031    43.88393
   58    54 S   CT   _C21    69     1.53737   112.75231   -73.76987
   59    58 S   HC   _H19    70     1.08431   113.80917    60.18842
   60    58 S   HC   _H20    71     1.09644   110.48874   -59.29802
   61    58 S   HC   _H21    72     1.09646   111.79831  -178.04495
   62    55 S   CO4  _C8_    74     1.35814   118.15040    85.46953
   63    62 S   O    _O33    75     1.22035   126.84862    -4.48000
   64    56 S   CM   _C19    53     1.46837   111.45672  -139.50538
   65    64 S   HC   _H17    54     1.07518   125.82074  -168.77382
   66    62 S   CM   _C6_    76     1.48359   108.56050   176.08013
   67    64 S   CM   _C20    55     1.33343   105.41627    11.59418
   68    67 S   HC   _H18    56     1.08181   121.54727   178.00954
   69    66 S   CM   _C5_    77     1.34472   120.28526  -135.24230
   70    69 S   HC   _H13    78     1.08917   117.84822  -177.76410
   71    66 S   CT   _C7_    83     1.49965   117.01532    46.83789
   72    71 S   HC   _H14    84     1.09491   110.67699   -70.63251
   73    71 S   HC   _H15    85     1.09517   110.42670    49.56034
   74    71 S   HC   _H16    86     1.09519   111.94123   169.22433
   75    54 S   CT   _C16    57     1.55459   112.18926    60.08672
   76    75 S   HC   _H9_    58     1.09971   110.22020    27.70953
   77    69 S   CT   _C4_    79     1.49635   128.11693     4.00722
   78    77 S   HC   _H10    80     1.09400   109.98659  -108.73370
   79    77 S   HC   _H11    81     1.09505   109.32717   132.73996
   80    77 S   HC   _H12    82     1.09266   113.52449    13.43119
   81    75 S   CT   _C15    59     1.54107   116.07196   -93.90365
   82    81 S   HC   _H8_    60     1.09845   108.61846   -66.42391
   83    81 S   CT   _C22    65     1.54260   110.35164   177.53876
   84    83 S   HC   _H22    66     1.09539   111.19727   -60.15595
   85    83 S   HC   _H23    67     1.09589   110.71964   179.73239
   86    83 S   HC   _H24    68     1.09347   111.92607    61.08698
  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  13   7   8   3   9  15   7  13   5  14
   6  17   6   5   1  17   8  12   5   8   3   2   1   9   3   6
   3  10   6   3   9   5   4   2   1   1   7   3   3   2   1   1
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    54    48    55  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    81    48    49    52  
   45    46    47    50    51    54    75    81    82    48    49    52    53    83    55  
   46    47    50    81    48    49    52  
   47    50    51    54    56    75    81    48    49    52    58    55    62  
   50    51    54    48    55  
   49    52    53    83    84    85    86    50    54    67    75    76    81    82  
   52    53    83    75    81    82  
   51    54    56    57    64    67    75    76    81    58    59    60    61    55    62    63    66  
   54    56    75    58    55    62  
   53    83    75    81    82  
   81  
   56    57    64    65    67    68    75    76    81    82    83    58    59    60    61    55    62  
   62    63    66    69    71    56    58    75  
   57    64    65    67    68    75    76    81    58    59    60    61  
   64    65    67    75    58  
   59    60    61    64    67    75    76    81  
   60    61    75  
   61    75  
   75  
   63    66    69    70    77    71    72    73    74  
   66    69    71  
   65    67    68    75    76    81  
   67    68    75  
   69    70    77    78    79    80    71    72    73    74  
   68    75    76    81    82    83  
   75    76    81  
   70    77    78    79    80    71    72    73    74  
   77    78    79    80    71  
   72    73    74    77  
   73    74  
   74  
    0  
   76    81    82    83    84    85    86  
   81    82    83  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    55   320.000  1.410
   54    56   317.000  1.522
   54    75   268.000  1.529
   54    58   268.000  1.529
   56    57   570.000  1.229
   56    64   320.000  1.462
   64    65   340.000  1.080
   64    67   549.000  1.340
   67    68   340.000  1.080
   67    75   317.000  1.510
   75    76   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    48   268.000  1.529
   81    83   268.000  1.529
   48    49   340.000  1.090
   48    52   320.000  1.410
   52    53   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   55    62   214.000  1.327
   62    63   570.000  1.229
   62    66   320.000  1.462
   66    69   549.000  1.340
   66    71   317.000  1.510
   69    70   340.000  1.080
   69    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    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    46    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    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    81    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    52    50.00000  109.50000
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    54    58.35000  112.70000
   46    50    55    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    54    56    63.00000  111.10000
   50    54    75    58.35000  112.70000
   50    54    58    58.35000  112.70000
   50    55    62    83.00000  116.90000
   54    50    51    37.50000  110.70000
   54    56    57    80.00000  120.40000
   54    56    64    65.00000  118.62400
   54    75    67    70.00000  112.02700
   54    75    76    37.50000  110.70000
   54    75    81    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    64    65    40.00000  117.72500
   56    64    67    65.00000  118.96000
   64    56    57    80.00000  123.72100
   64    67    68    35.00000  120.00000
   64    67    75    70.00000  124.00000
   67    64    65    35.00000  120.00000
   67    75    76    35.00000  109.50000
   67    75    81    70.00000  112.02700
   75    54    56    63.00000  111.10000
   75    67    68    35.00000  117.00000
   75    81    82    37.50000  110.70000
   75    81    48    58.35000  112.70000
   75    81    83    58.35000  112.70000
   81    75    76    37.50000  110.70000
   81    48    49    37.50000  110.70000
   81    48    52    50.00000  109.50000
   81    83    84    37.50000  110.70000
   81    83    85    37.50000  110.70000
   81    83    86    37.50000  110.70000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    81    82    37.50000  110.70000
   48    52    53    55.00000  108.50000
   52    48    49    35.00000  109.50000
   83    81    82    37.50000  110.70000
   83    81    48    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   58    54    56    63.00000  111.10000
   58    54    75    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    54    50.00000  109.50000
   55    62    63    83.00000  123.40000
   55    62    66    90.00000  111.29400
   62    66    69    65.00000  118.96000
   62    66    71    65.00000  116.34900
   66    62    63    80.00000  123.72100
   66    69    70    35.00000  120.00000
   66    69    77    70.00000  124.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   69    77    78    35.00000  109.50000
   69    77    79    35.00000  109.50000
   69    77    80    35.00000  109.50000
   77    69    70    35.00000  117.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   71    66    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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    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    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  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    46   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    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    54   0.56750  1.0 1.0
   39    46    50    54  -0.07550 -1.0 2.0
   39    46    50    54   0.20000  1.0 3.0
   39    46    50    55   0.62750  1.0 1.0
   39    46    50    55  -0.30950 -1.0 2.0
   39    46    50    55   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    81   0.62750  1.0 1.0
   43    44    48    81  -0.30950 -1.0 2.0
   43    44    48    81   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   3.69350  1.0 1.0
   43    44    48    52  -1.82950 -1.0 2.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    54   0.56750  1.0 1.0
   44    46    50    54  -0.07550 -1.0 2.0
   44    46    50    54   0.20000  1.0 3.0
   44    46    50    55   0.62750  1.0 1.0
   44    46    50    55  -0.30950 -1.0 2.0
   44    46    50    55   0.27300  1.0 3.0
   44    48    52    53  -0.11600  1.0 1.0
   44    48    52    53  -0.09450 -1.0 2.0
   44    48    52    53   0.21250  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    81   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    81   0.56750  1.0 1.0
   46    44    48    81  -0.07550 -1.0 2.0
   46    44    48    81   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.86500  1.0 1.0
   46    44    48    52  -0.17500 -1.0 2.0
   46    44    48    52   0.20800  1.0 3.0
   46    50    54    56  -0.95700  1.0 1.0
   46    50    54    56  -0.18200 -1.0 2.0
   46    50    54    56   0.29450  1.0 3.0
   46    50    54    75   0.56750  1.0 1.0
   46    50    54    75  -0.07550 -1.0 2.0
   46    50    54    75   0.20000  1.0 3.0
   46    50    54    58   0.56750  1.0 1.0
   46    50    54    58  -0.07550 -1.0 2.0
   46    50    54    58   0.20000  1.0 3.0
   46    50    55    62  -0.25900  1.0 1.0
   46    50    55    62  -0.47000 -1.0 2.0
   46    50    55    62   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   47    46    50    55   0.23400  1.0 3.0
   50    54    56    57   0.30150 -1.0 2.0
   50    54    56    64   0.65300  1.0 1.0
   50    54    56    64  -0.03850 -1.0 2.0
   50    54    56    64   0.33900  1.0 3.0
   50    54    75    67   0.34400  1.0 1.0
   50    54    75    67   0.09450 -1.0 2.0
   50    54    75    67   0.11100  1.0 3.0
   50    54    75    76   0.15000  1.0 3.0
   50    54    75    81   0.56750  1.0 1.0
   50    54    75    81  -0.07550 -1.0 2.0
   50    54    75    81   0.20000  1.0 3.0
   50    54    58    59   0.15000  1.0 3.0
   50    54    58    60   0.15000  1.0 3.0
   50    54    58    61   0.15000  1.0 3.0
   50    55    62    63   3.00000 -1.0 2.0
   50    55    62    66   2.00000 -1.0 2.0
   51    50    54    56  -0.11250  1.0 3.0
   51    50    54    75   0.15000  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   51    50    55    62   0.08050  1.0 3.0
   54    50    55    62  -0.25900  1.0 1.0
   54    50    55    62  -0.47000 -1.0 2.0
   54    50    55    62   0.11750  1.0 3.0
   54    56    64    65   0.04550  1.0 1.0
   54    56    64    65   0.83000 -1.0 2.0
   54    56    64    65  -0.04000  1.0 3.0
   54    56   -64    67  -0.33500  1.0 1.0
   54    56   -64    67   1.06600 -1.0 2.0
   54    56   -64    67  -0.14000  1.0 3.0
   54    75    81    82   0.15000  1.0 3.0
   54    75    81    48   0.56750  1.0 1.0
   54    75    81    48  -0.07550 -1.0 2.0
   54    75    81    48   0.20000  1.0 3.0
   54    75    81    83   0.56750  1.0 1.0
   54    75    81    83  -0.07550 -1.0 2.0
   54    75    81    83   0.20000  1.0 3.0
   56    54   -75    67  -0.98800  1.0 1.0
   56    54   -75    67   0.48800 -1.0 2.0
   56    54   -75    67   0.76800  1.0 3.0
   56    54    75    76  -0.11250  1.0 3.0
   56    54    75    81  -0.95700  1.0 1.0
   56    54    75    81  -0.18200 -1.0 2.0
   56    54    75    81   0.29450  1.0 3.0
   56    54    58    59  -0.11250  1.0 3.0
   56    54    58    60  -0.11250  1.0 3.0
   56    54    58    61  -0.11250  1.0 3.0
   56    64    67    68   7.00000 -1.0 2.0
   56    64   -67    75   7.00000 -1.0 2.0
   57    56    64    65   0.00000  1.0 1.0
   57    56    64    67   1.00000 -1.0 2.0
   64    67   -75    54   0.09850  1.0 1.0
   64    67   -75    54   0.15250 -1.0 2.0
   64    67   -75    54  -0.50650  1.0 3.0
   64    67    75    76   0.00000  1.0 1.0
   64    67    75    81   0.09850  1.0 1.0
   64    67    75    81   0.15250 -1.0 2.0
   64    67    75    81  -0.50650  1.0 3.0
   65    64    67    68   7.00000 -1.0 2.0
   65    64    67    75   7.00000 -1.0 2.0
   67    75    81    82   0.15000  1.0 3.0
   67    75    81    48   0.34400  1.0 1.0
   67    75    81    48   0.09450 -1.0 2.0
   67    75    81    48   0.11100  1.0 3.0
   67    75    81    83   0.34400  1.0 1.0
   67    75    81    83   0.09450 -1.0 2.0
   67    75    81    83   0.11100  1.0 3.0
   68    67    75    54   0.00000  1.0 1.0
   68    67    75    76   0.33100  1.0 3.0
   68    67    75    81   0.00000  1.0 1.0
   75    54    56    57   0.30150 -1.0 2.0
   75    54   -56    64   0.65300  1.0 1.0
   75    54   -56    64  -0.03850 -1.0 2.0
   75    54   -56    64   0.33900  1.0 3.0
   75    54    58    59   0.15000  1.0 3.0
   75    54    58    60   0.15000  1.0 3.0
   75    54    58    61   0.15000  1.0 3.0
   75    81    48    44   0.56750  1.0 1.0
   75    81    48    44  -0.07550 -1.0 2.0
   75    81    48    44   0.20000  1.0 3.0
   75    81    48    49   0.15000  1.0 3.0
   75    81    48    52   0.86500  1.0 1.0
   75    81    48    52  -0.17500 -1.0 2.0
   75    81    48    52   0.20800  1.0 3.0
   75    81    83    84   0.15000  1.0 3.0
   75    81    83    85   0.15000  1.0 3.0
   75    81    83    86   0.15000  1.0 3.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    48   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   81    48    52    53  -0.11600  1.0 1.0
   81    48    52    53  -0.09450 -1.0 2.0
   81    48    52    53   0.21250  1.0 3.0
   82    81    48    44   0.15000  1.0 3.0
   82    81    48    49   0.15000  1.0 3.0
   82    81    48    52   0.23400  1.0 3.0
   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    86   0.15000  1.0 3.0
   48    44    46    39   0.56750  1.0 1.0
   48    44    46    39  -0.07550 -1.0 2.0
   48    44    46    39   0.20000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.56750  1.0 1.0
   48    44    46    50  -0.07550 -1.0 2.0
   48    44    46    50   0.20000  1.0 3.0
   48    81    83    84   0.15000  1.0 3.0
   48    81    83    85   0.15000  1.0 3.0
   48    81    83    86   0.15000  1.0 3.0
   49    48    52    53   0.19450  1.0 3.0
   83    81    48    44   0.56750  1.0 1.0
   83    81    48    44  -0.07550 -1.0 2.0
   83    81    48    44   0.20000  1.0 3.0
   83    81    48    49   0.15000  1.0 3.0
   83    81    48    52   0.86500  1.0 1.0
   83    81    48    52  -0.17500 -1.0 2.0
   83    81    48    52   0.20800  1.0 3.0
   58    54    56    57   0.30150 -1.0 2.0
   58    54    56    64   0.65300  1.0 1.0
   58    54    56    64  -0.03850 -1.0 2.0
   58    54    56    64   0.33900  1.0 3.0
   58    54    75    67   0.34400  1.0 1.0
   58    54    75    67   0.09450 -1.0 2.0
   58    54    75    67   0.11100  1.0 3.0
   58    54    75    76   0.15000  1.0 3.0
   58    54    75    81   0.56750  1.0 1.0
   58    54    75    81  -0.07550 -1.0 2.0
   58    54    75    81   0.20000  1.0 3.0
   55    50    54    56  -0.09450  1.0 1.0
   55    50    54    56  -1.12950 -1.0 2.0
   55    50    54    56   0.54000  1.0 3.0
   55    50    54    75   0.62750  1.0 1.0
   55    50    54    75  -0.30950 -1.0 2.0
   55    50    54    75   0.27300  1.0 3.0
   55    50    54    58   0.62750  1.0 1.0
   55    50    54    58  -0.30950 -1.0 2.0
   55    50    54    58   0.27300  1.0 3.0
   55    62    66    69  -0.56150  1.0 1.0
   55    62    66    69   2.19150 -1.0 2.0
   55    62    66    71  -0.15000  1.0 1.0
   55    62    66    71   0.89550 -1.0 2.0
   55    62    66    71  -0.06900  1.0 3.0
   62    66    69    70   7.00000 -1.0 2.0
   62    66    69    77   7.00000 -1.0 2.0
   62    66    71    72   0.15000  1.0 3.0
   62    66    71    73   0.15000  1.0 3.0
   62    66    71    74   0.15000  1.0 3.0
   63    62    66    69   1.00000 -1.0 2.0
   63    62    66    71  -0.64400  1.0 1.0
   63    62    66    71   0.26850 -1.0 2.0
   66    69    77    78   0.00000  1.0 1.0
   66    69    77    79   0.00000  1.0 1.0
   66    69    77    80   0.00000  1.0 1.0
   69    66    71    72   0.00000  1.0 1.0
   69    66    71    73   0.00000  1.0 1.0
   69    66    71    74   0.00000  1.0 1.0
   70    69    77    78   0.33100  1.0 3.0
   70    69    77    79   0.33100  1.0 3.0
   70    69    77    80   0.33100  1.0 3.0
   71    66    69    70   7.00000 -1.0 2.0
   71    66    69    77   7.00000 -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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   54    64    56    57  10.50000 -1.0 2.0
   56    65    64    67   1.10000 -1.0 2.0
   75    68    67    64   1.10000 -1.0 2.0
   55    66    62    63  10.50000 -1.0 2.0
   62    71    66    69  15.00000 -1.0 2.0
   77    70    69    66  15.00000 -1.0 2.0
END
