* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    157    245     465
    1     0 S   NP   _N1_     1    28.59161    94.46330   -21.92558
    2     1 S   H    _HN1     2     1.02777    94.28231   -72.63199
    3     1 S   H    _H1_     3     1.02962    88.52855    35.64265
    4     1 S   H    _H2_     4     1.02835    28.58897   166.89882
    5     1 S   CT   _CA1     5     1.50123   138.97466   155.72121
    6     5 S   HC   _HA1     6     1.09577   105.23007    64.81539
    7     5 S   CO3  _C1_     7     1.53797   112.41142   -55.36436
    8     7 S   O2Z  _O11     8     1.26357   115.01065   -43.19491
    9     7 S   O2Z  _O12     9     1.26245   114.92559   135.99563
   10     5 S   CT   _CB1    10     1.53101   107.41940  -177.29868
   11    10 S   HC   HB11    11     1.09822   109.31641   -51.03054
   12    10 S   HC   HB12    12     1.09821   110.40792    65.51303
   13    10 S   CT   _CG1    13     1.52999   112.68656  -172.17481
   14    13 S   HC   HG11    14     1.09603   110.37076   -63.64032
   15    13 S   HC   HG12    15     1.09648   110.04227    55.57191
   16    13 S   C    _CD1    16     1.51814   112.35765   175.89039
   17    16 S   O    _OE1    17     1.22717   123.28322    -4.73685
   18    16 S   N    _N2_    18     1.38621   111.58632   175.58794
   19    18 S   H    _HN2    19     1.01585   118.98814     1.23131
   20    18 S   CT1  _CA2    20     1.46208   123.43601  -179.12486
   21    20 S   HC   _HA2    21     1.09738   109.44054   -10.56263
   22    20 S   C    _C2_    22     1.53430   108.29636  -126.22422
   23    22 S   O    _O2_    23     1.23016   122.23659  -145.34534
   24    20 S   CT   _CB2    32     1.53525   111.34566   111.58487
   25    24 S   HC   HB21    33     1.09378   109.40127    55.64529
   26    24 S   HC   HB22    34     1.09471   109.90662   174.22396
   27    22 S   N    _N3_    24     1.38506   113.38374    41.98827
   28    27 S   H    _HN3    25     1.01522   118.92634    -0.57878
   29    24 S   S    _SG2    35     1.82932   111.29240   -66.78543
   30    27 S   CT   _CA3    26     1.45452   123.45489   175.13877
   31    30 S   HC   HA31    27     1.09522   109.24688    24.23112
   32    30 S   HC   HA32    28     1.09496   107.11930   141.23760
   33    29 S   CT   _C15    36     1.89800   102.80583   161.74802
   34    30 S   CO3  _C3_    29     1.52926   113.10525   -99.25396
   35    34 S   O2Z  _O31    30     1.26403   115.39932   -44.50113
   36    34 S   O2Z  _O32    31     1.26355   114.98393   136.42327
   37    33 S   CT   _C14    37     1.53596   112.38316    43.84354
   38    37 S   HC   _H5_    38     1.09247   113.59384   -51.87843
   39    33 S   CT   _C16    77     1.54294   103.89120   -76.92626
   40    39 S   HC   _H16    78     1.09225   112.66721   168.65134
   41    39 S   HC   _H17    79     1.09541   111.62908    51.94411
   42    37 S   CT   _C13    39     1.53332   105.58517    69.76538
   43    42 S   HC   _H14    40     1.09452   111.63419   148.79385
   44    42 S   HC   _H15    41     1.09562   110.51900   -91.45973
   45    37 S   OS   _O34    57     1.43370   109.06563  -168.97991
   46    39 S   OH   _O33    80     1.42178   111.69635   -68.39943
   47    46 S   HO   _H18    81     0.97242   107.23195   178.38323
   48    42 S   CT   _C12    42     1.54295   104.89785    28.22042
   49    48 S   HC   _H4_    43     1.08832   110.53986   126.51517
   50    33 S   CT   _C11    44     1.60500   112.22187   152.34547
   51    48 S   OS   _O35    70     1.44421   110.18408  -116.07003
   52    50 S   CT   _C8_    45     1.62565   112.24325   176.64404
   53    50 S   CT   _C19    66     1.54192   113.96007    49.42219
   54    53 S   HC   _H22    67     1.09288   111.93226    66.08601
   55    53 S   HC   _H23    68     1.09341   113.12252   -54.33235
   56    53 S   HC   _H24    69     1.09397   111.29646  -173.25855
   57    51 S   CO4  _C17    71     1.36247   117.43962   -77.01758
   58    57 S   O    _O36    72     1.22315   126.37295    -0.01978
   59    52 S   CT   _C9_    46     1.56203   113.02875   -76.71842
   60    59 S   HC   _H10    47     1.08361   112.18125    49.75341
   61    59 S   HC   _H11    48     1.09754   110.22624   -66.79024
   62    52 S   CT   _C20    62     1.56980   111.78316   166.63122
   63    62 S   HC   _H25    63     1.09179   113.43553   -64.67831
   64    62 S   HC   _H26    64     1.09504   111.94302   177.44449
   65    62 S   HC   _H27    65     1.09379   111.78466    57.76548
   66    57 S   CT   _C18    73     1.49820   109.44216   179.67494
   67    66 S   HC   _H19    74     1.09293   109.79377   -61.92761
   68    66 S   HC   _H20    75     1.09376   109.36902   178.95807
   69    66 S   HC   _H21    76     1.09295   109.83817    59.95020
   70    59 S   CT   _C10    49     1.53451   115.09459   171.30223
   71    70 S   HC   _H12    50     1.09756   107.85245  -161.97653
   72    70 S   HC   _H13    51     1.09659   110.08398    82.70321
   73    70 S   CM   _C5_    52     1.50121   114.07445   -40.12140
   74    73 S   CM   _C6_    53     1.34209   122.20901    15.20128
   75    74 S   HC   _H9_    54     1.08823   119.11144  -179.70591
   76    73 S   CT   _C4_    58     1.50098   116.01292  -165.37418
   77    76 S   HC   _H6_    59     1.09485   110.23277   -58.65060
   78    76 S   HC   _H7_    60     1.09507   112.21946  -178.69359
   79    76 S   HC   _H8_    61     1.09480   110.30540    61.20376
   80    52 S   CT   _C7_    55     1.56541   109.47595    48.02456
   81    80 S   HC   _H3_    56     1.09750   108.61637    85.90477
  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  13   5   4   3
  23   2   1   1  18   8  10   4   3  11   6   5  10   2   1  14
   5  18   8  19   6   2   1   1   5   4  14   7   6   7   3   2
   1   3   2   1   1  10   4   3   8   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    50    52    45    53    39    40    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    48    49    50    52    59    80    45    62    53    54    55    56    51    39    40    41    46    47  
   35    36  
   36  
    0  
   38    42    43    44    48    49    50    52    74    80    81    45    53    51    39    40    41    46  
   42    43    44    48    50    80    45    39  
   40    41    46    47    42    45    48    50    52    53  
   41    46    47    50  
   46    47    50  
   43    44    48    49    50    52    80    45    53    51    57  
   44    48    49    50    45    51  
   48    49    50    45    51  
   62    48    50    52    59    73    74    75    80    81  
   47    50  
    0  
   49    50    52    59    80    62    53    54    55    56    51    57    58    66  
   50    52    53    51    57  
   52    59    60    61    70    74    80    81    62    63    64    65    53    54    55    56    51    57  
   57    58    66    67    68    69    52    53  
   59    60    61    70    71    72    73    74    75    80    81    62    63    64    65    53    54    55    56  
   54    55    56    59    62    80  
   55    56  
   56  
    0  
   58    66    67    68    69  
   66    67    68    69  
   60    61    70    71    72    73    74    80    81    76    62    63    64    65  
   61    70    71    72    73    80    62  
   70    71    72    73    80    62  
   63    64    65    70    74    80    81  
   64    65    80  
   65    80  
   80  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    80    76    77    78    79  
   72    73    74    76  
   73    74    76  
   74    75    80    81    76    77    78    79  
   75    80    81    76    77    78    79  
   80    81    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81  
    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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   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    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   268.000  1.529
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    45   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   320.000  1.410
   50    52   268.000  1.529
   50    53   268.000  1.529
   52    59   268.000  1.529
   52    80   268.000  1.529
   52    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.510
   73    74   549.000  1.340
   73    76   317.000  1.510
   74    75   340.000  1.080
   74    80   317.000  1.510
   80    81   340.000  1.090
   80    45   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   51    57   214.000  1.327
   57    58   570.000  1.229
   57    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    45    50.00000  109.50000
   33    50    48    58.35000  112.70000
   33    50    52    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    48    58.35000  112.70000
   37    45    80    60.00000  109.50000
   42    37    38    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    50    58.35000  112.70000
   42    48    51    50.00000  109.50000
   44    42    43    33.00000  107.80000
   48    42    43    37.50000  110.70000
   48    42    44    37.50000  110.70000
   48    50    52    58.35000  112.70000
   48    50    53    58.35000  112.70000
   48    51    57    83.00000  116.90000
   50    33    37    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    59    58.35000  112.70000
   50    52    80    58.35000  112.70000
   50    52    62    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    70    58.35000  112.70000
   52    80    74    70.00000  112.02700
   52    80    81    37.50000  110.70000
   52    80    45    50.00000  109.50000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    65    37.50000  110.70000
   59    70    71    37.50000  110.70000
   59    70    72    37.50000  110.70000
   59    70    73    70.00000  112.02700
   61    59    60    33.00000  107.80000
   70    59    60    37.50000  110.70000
   70    59    61    37.50000  110.70000
   70    73    74    70.00000  124.00000
   70    73    76    65.00000  117.92700
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    74    75    35.00000  120.00000
   73    74    80    70.00000  124.00000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   74    80    81    35.00000  109.50000
   74    80    45    85.00000  110.90400
   80    52    59    58.35000  112.70000
   80    74    75    35.00000  117.00000
   45    37    38    35.00000  109.50000
   45    37    42    50.00000  109.50000
   45    80    81    35.00000  109.50000
   76    73    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   62    52    59    58.35000  112.70000
   62    52    80    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    50    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    50.00000  109.50000
   51    57    58    83.00000  123.40000
   51    57    66    81.00000  111.40000
   57    66    67    35.00000  109.50000
   57    66    68    35.00000  109.50000
   57    66    69    35.00000  109.50000
   66    57    58    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    50    58.35000  112.70000
   39    46    47    55.00000  108.50000
   41    39    40    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    41    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    45   0.56750  1.0 1.0
   29    33    37    45  -0.07550 -1.0 2.0
   29    33    37    45   0.20000  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    52   0.44750  1.0 1.0
   29    33    50    52  -0.17800 -1.0 2.0
   29    33    50    52   0.20200  1.0 3.0
   29    33    50    53   0.44750  1.0 1.0
   29    33    50    53  -0.17800 -1.0 2.0
   29    33    50    53   0.20200  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    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    44   0.15000  1.0 3.0
   33    37   -42    48   0.56750  1.0 1.0
   33    37   -42    48  -0.07550 -1.0 2.0
   33    37   -42    48   0.20000  1.0 3.0
   33    37    45    80   0.06250  1.0 1.0
   33    37    45    80  -0.01100 -1.0 2.0
   33    37    45    80   0.28050  1.0 3.0
   33    50    52    59   0.56750  1.0 1.0
   33    50    52    59  -0.07550 -1.0 2.0
   33    50    52    59   0.20000  1.0 3.0
   33    50   -52    80   0.56750  1.0 1.0
   33    50   -52    80  -0.07550 -1.0 2.0
   33    50   -52    80   0.20000  1.0 3.0
   33    50    52    62   0.56750  1.0 1.0
   33    50    52    62  -0.07550 -1.0 2.0
   33    50    52    62   0.20000  1.0 3.0
   33    50    53    54   0.15000  1.0 3.0
   33    50    53    55   0.15000  1.0 3.0
   33    50    53    56   0.15000  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   37    33   -50    48   0.56750  1.0 1.0
   37    33   -50    48  -0.07550 -1.0 2.0
   37    33   -50    48   0.20000  1.0 3.0
   37    33    50    52   0.56750  1.0 1.0
   37    33    50    52  -0.07550 -1.0 2.0
   37    33    50    52   0.20000  1.0 3.0
   37    33    50    53   0.56750  1.0 1.0
   37    33    50    53  -0.07550 -1.0 2.0
   37    33    50    53   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    46   0.86500  1.0 1.0
   37    33    39    46  -0.17500 -1.0 2.0
   37    33    39    46   0.20800  1.0 3.0
   37    42    48    49   0.15000  1.0 3.0
   37    42   -48    50   0.56750  1.0 1.0
   37    42   -48    50  -0.07550 -1.0 2.0
   37    42   -48    50   0.20000  1.0 3.0
   37    42    48    51   0.62750  1.0 1.0
   37    42    48    51  -0.30950 -1.0 2.0
   37    42    48    51   0.27300  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    48   0.15000  1.0 3.0
   38    37    45    80   0.37050  1.0 3.0
   42    37    45    80   0.06250  1.0 1.0
   42    37    45    80  -0.01100 -1.0 2.0
   42    37    45    80   0.28050  1.0 3.0
   42    48   -50    33   0.56750  1.0 1.0
   42    48   -50    33  -0.07550 -1.0 2.0
   42    48   -50    33   0.20000  1.0 3.0
   42    48    50    52   0.56750  1.0 1.0
   42    48    50    52  -0.07550 -1.0 2.0
   42    48    50    52   0.20000  1.0 3.0
   42    48    50    53   0.56750  1.0 1.0
   42    48    50    53  -0.07550 -1.0 2.0
   42    48    50    53   0.20000  1.0 3.0
   42    48    51    57  -0.25900  1.0 1.0
   42    48    51    57  -0.47000 -1.0 2.0
   42    48    51    57   0.11750  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    50   0.15000  1.0 3.0
   43    42    48    51   0.23400  1.0 3.0
   44    42    48    49   0.15000  1.0 3.0
   44    42    48    50   0.15000  1.0 3.0
   44    42    48    51   0.23400  1.0 3.0
   48    50    52    59   0.56750  1.0 1.0
   48    50    52    59  -0.07550 -1.0 2.0
   48    50    52    59   0.20000  1.0 3.0
   48    50    52    80   0.56750  1.0 1.0
   48    50    52    80  -0.07550 -1.0 2.0
   48    50    52    80   0.20000  1.0 3.0
   48    50    52    62   0.56750  1.0 1.0
   48    50    52    62  -0.07550 -1.0 2.0
   48    50    52    62   0.20000  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    55   0.15000  1.0 3.0
   48    50    53    56   0.15000  1.0 3.0
   48    51    57    58   3.00000 -1.0 2.0
   48    51    57    66   1.63150  1.0 1.0
   48    51    57    66   2.92000 -1.0 2.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    51    57   0.08050  1.0 3.0
   50    33    37    38   0.15000  1.0 3.0
   50    33   -37    42   0.56750  1.0 1.0
   50    33   -37    42  -0.07550 -1.0 2.0
   50    33   -37    42   0.20000  1.0 3.0
   50    33    37    45   0.62750  1.0 1.0
   50    33    37    45  -0.30950 -1.0 2.0
   50    33    37    45   0.27300  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    33    39    46   0.86500  1.0 1.0
   50    33    39    46  -0.17500 -1.0 2.0
   50    33    39    46   0.20800  1.0 3.0
   50    48    51    57  -0.25900  1.0 1.0
   50    48    51    57  -0.47000 -1.0 2.0
   50    48    51    57   0.11750  1.0 3.0
   50    52    59    60   0.15000  1.0 3.0
   50    52    59    61   0.15000  1.0 3.0
   50    52    59    70   0.56750  1.0 1.0
   50    52    59    70  -0.07550 -1.0 2.0
   50    52    59    70   0.20000  1.0 3.0
   50    52    80    74   0.34400  1.0 1.0
   50    52    80    74   0.09450 -1.0 2.0
   50    52    80    74   0.11100  1.0 3.0
   50    52    80    81   0.15000  1.0 3.0
   50    52   -80    45   0.62750  1.0 1.0
   50    52   -80    45  -0.30950 -1.0 2.0
   50    52   -80    45   0.27300  1.0 3.0
   50    52    62    63   0.15000  1.0 3.0
   50    52    62    64   0.15000  1.0 3.0
   50    52    62    65   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   52    59    70    71   0.15000  1.0 3.0
   52    59    70    72   0.15000  1.0 3.0
   52    59    70    73   0.34400  1.0 1.0
   52    59    70    73   0.09450 -1.0 2.0
   52    59    70    73   0.11100  1.0 3.0
   52    80   -45    37   0.06250  1.0 1.0
   52    80   -45    37  -0.01100 -1.0 2.0
   52    80   -45    37   0.28050  1.0 3.0
   59    52    80    74   0.34400  1.0 1.0
   59    52    80    74   0.09450 -1.0 2.0
   59    52    80    74   0.11100  1.0 3.0
   59    52    80    81   0.15000  1.0 3.0
   59    52    80    45   0.62750  1.0 1.0
   59    52    80    45  -0.30950 -1.0 2.0
   59    52    80    45   0.27300  1.0 3.0
   59    52    62    63   0.15000  1.0 3.0
   59    52    62    64   0.15000  1.0 3.0
   59    52    62    65   0.15000  1.0 3.0
   59    70   -73    74   0.09850  1.0 1.0
   59    70   -73    74   0.15250 -1.0 2.0
   59    70   -73    74  -0.50650  1.0 3.0
   59    70    73    76   0.46850  1.0 1.0
   59    70    73    76   0.08550 -1.0 2.0
   59    70    73    76   0.09800  1.0 3.0
   60    59    70    71   0.15000  1.0 3.0
   60    59    70    72   0.15000  1.0 3.0
   60    59    70    73   0.15000  1.0 3.0
   61    59    70    71   0.15000  1.0 3.0
   61    59    70    72   0.15000  1.0 3.0
   61    59    70    73   0.15000  1.0 3.0
   70    73    74    75   7.00000 -1.0 2.0
   70    73    74    80   7.00000 -1.0 2.0
   70    73    76    77   0.34800  1.0 3.0
   70    73    76    78   0.34800  1.0 3.0
   70    73    76    79   0.34800  1.0 3.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    76   0.34800  1.0 3.0
   72    70    73    74   0.00000  1.0 1.0
   72    70    73    76   0.34800  1.0 3.0
   73    74   -80    52   0.09850  1.0 1.0
   73    74   -80    52   0.15250 -1.0 2.0
   73    74   -80    52  -0.50650  1.0 3.0
   73    74    80    81   0.00000  1.0 1.0
   73    74    80    45   0.39000  1.0 1.0
   73    74    80    45  -0.05800 -1.0 2.0
   73    74    80    45  -0.55150  1.0 3.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    78   0.00000  1.0 1.0
   74    73    76    79   0.00000  1.0 1.0
   74    80    45    37  -0.77900  1.0 1.0
   74    80    45    37  -0.36900 -1.0 2.0
   74    80    45    37   0.40400  1.0 3.0
   75    74    80    52   0.00000  1.0 1.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    45   0.00000  1.0 1.0
   80    52    59    60   0.15000  1.0 3.0
   80    52    59    61   0.15000  1.0 3.0
   80    52   -59    70   0.56750  1.0 1.0
   80    52   -59    70  -0.07550 -1.0 2.0
   80    52   -59    70   0.20000  1.0 3.0
   80    52    62    63   0.15000  1.0 3.0
   80    52    62    64   0.15000  1.0 3.0
   80    52    62    65   0.15000  1.0 3.0
   81    80    45    37   0.37050  1.0 3.0
   45    37    42    43   0.23400  1.0 3.0
   45    37    42    44   0.23400  1.0 3.0
   45    37    42    48   0.62750  1.0 1.0
   45    37    42    48  -0.30950 -1.0 2.0
   45    37    42    48   0.27300  1.0 3.0
   76    73    74    75   7.00000 -1.0 2.0
   76    73    74    80   7.00000 -1.0 2.0
   62    52    59    60   0.15000  1.0 3.0
   62    52    59    61   0.15000  1.0 3.0
   62    52    59    70   0.56750  1.0 1.0
   62    52    59    70  -0.07550 -1.0 2.0
   62    52    59    70   0.20000  1.0 3.0
   62    52    80    74   0.34400  1.0 1.0
   62    52    80    74   0.09450 -1.0 2.0
   62    52    80    74   0.11100  1.0 3.0
   62    52    80    81   0.15000  1.0 3.0
   62    52    80    45   0.62750  1.0 1.0
   62    52    80    45  -0.30950 -1.0 2.0
   62    52    80    45   0.27300  1.0 3.0
   53    50    52    59   0.56750  1.0 1.0
   53    50    52    59  -0.07550 -1.0 2.0
   53    50    52    59   0.20000  1.0 3.0
   53    50    52    80   0.56750  1.0 1.0
   53    50    52    80  -0.07550 -1.0 2.0
   53    50    52    80   0.20000  1.0 3.0
   53    50    52    62   0.56750  1.0 1.0
   53    50    52    62  -0.07550 -1.0 2.0
   53    50    52    62   0.20000  1.0 3.0
   51    48    50    33   0.62750  1.0 1.0
   51    48    50    33  -0.30950 -1.0 2.0
   51    48    50    33   0.27300  1.0 3.0
   51    48    50    52   0.62750  1.0 1.0
   51    48    50    52  -0.30950 -1.0 2.0
   51    48    50    52   0.27300  1.0 3.0
   51    48    50    53   0.62750  1.0 1.0
   51    48    50    53  -0.30950 -1.0 2.0
   51    48    50    53   0.27300  1.0 3.0
   51    57    66    67   0.00000  1.0 1.0
   51    57    66    68   0.00000  1.0 1.0
   51    57    66    69   0.00000  1.0 1.0
   58    57    66    67   0.00000  1.0 1.0
   58    57    66    68   0.00000  1.0 1.0
   58    57    66    69   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    45   0.62750  1.0 1.0
   39    33    37    45  -0.30950 -1.0 2.0
   39    33    37    45   0.27300  1.0 3.0
   39    33    50    48   0.56750  1.0 1.0
   39    33    50    48  -0.07550 -1.0 2.0
   39    33    50    48   0.20000  1.0 3.0
   39    33    50    52   0.56750  1.0 1.0
   39    33    50    52  -0.07550 -1.0 2.0
   39    33    50    52   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   41    39    46    47   0.19450  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
   70    76    73    74   1.10000 -1.0 2.0
   80    75    74    73   1.10000 -1.0 2.0
   51    66    57    58  10.50000 -1.0 2.0
END
