* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    154    255     463
    1     0 S   NP   _N1_     1    29.42627    92.83613   -18.27525
    2     1 S   H    _HN1     2     1.02776    79.66231   -59.05448
    3     1 S   H    _H1_     3     1.02962   113.96537    46.57186
    4     1 S   H    _H2_     4     1.02838    28.44077   128.09081
    5     1 S   CT   _CA1     5     1.50222   126.95037  -169.23261
    6     5 S   HC   _HA1     6     1.09568   105.17169    32.52526
    7     5 S   CO3  _C1_     7     1.53922   112.14991   -87.52181
    8     7 S   O2Z  _O11     8     1.26436   115.02632   -42.18928
    9     7 S   O2Z  _O12     9     1.26247   114.90219   136.50643
   10     5 S   CT   _CB1    10     1.53061   107.31299   150.39940
   11    10 S   HC   HB11    11     1.09821   109.42929   -47.77520
   12    10 S   HC   HB12    12     1.09798   110.32509    68.63004
   13    10 S   CT   _CG1    13     1.53113   112.92484  -168.90421
   14    13 S   HC   HG11    14     1.09422   110.51050   -57.10571
   15    13 S   HC   HG12    15     1.09605   110.28932    61.73640
   16    13 S   C    _CD1    16     1.51888   111.24572  -178.95977
   17    16 S   O    _OE1    17     1.22850   122.49452   -30.60783
   18    16 S   N    _N2_    18     1.38541   112.58211   150.80377
   19    18 S   H    _HN2    19     1.01575   119.20099    -0.16669
   20    18 S   CT1  _CA2    20     1.46398   123.28513  -178.80302
   21    20 S   HC   _HA2    21     1.09744   109.19835   -16.61045
   22    20 S   C    _C2_    22     1.53413   108.36655  -132.19917
   23    22 S   O    _O2_    23     1.23008   122.29807  -146.65189
   24    20 S   CT   _CB2    32     1.53675   111.62805   105.41982
   25    24 S   HC   HB21    33     1.09254   109.39084    58.21004
   26    24 S   HC   HB22    34     1.09545   110.24662   175.94218
   27    22 S   N    _N3_    24     1.38535   113.33304    40.80998
   28    27 S   H    _HN3    25     1.01532   118.88734    -0.62526
   29    24 S   S    _SG2    35     1.83397   111.10091   -65.53540
   30    27 S   CT   _CA3    26     1.45438   123.41802   175.16689
   31    30 S   HC   HA31    27     1.09526   109.19182    25.18581
   32    30 S   HC   HA32    28     1.09495   107.12873   142.16812
   33    29 S   CT   _C20    36     1.88432   103.22229   147.43959
   34    33 S   OM   _O38    37     1.32127   108.34706    55.87957
   35    30 S   CO3  _C3_    29     1.52923   113.16769   -98.27239
   36    35 S   O2Z  _O31    30     1.26400   115.43454   -44.34096
   37    35 S   O2Z  _O32    31     1.26362   114.97408   136.63980
   38    33 S   CT   _C21    38     1.55687   110.31694   -65.56639
   39    38 S   HC   _H5_    39     1.09814   109.65339    51.45343
   40    33 S   CT   _C19    71     1.56866   108.40215   174.47905
   41    40 S   HC   _H4_    72     1.09587   110.72828  -171.88923
   42    38 S   CO4  _C22    40     1.52557   109.14179   -64.59580
   43    42 S   O    _O36    41     1.23185   120.33397   128.88734
   44    40 S   NP   _N5_    73     1.50248   109.16781   -58.19998
   45    44 S   H    _H17    74     1.03009   108.65272   -48.15963
   46    44 S   H    _H18    75     1.02641   113.14905  -167.49449
   47    44 S   H    _H19    76     1.02811   111.28465    69.14895
   48    38 S   C    _C23    79     1.53915   116.37926   170.63895
   49    48 S   O    _O37    80     1.22740   124.57129    27.01706
   50    42 S   CT   _C16    42     1.53104   117.58566   -54.43772
   51    48 S   N    _N4_    81     1.37779   113.03395  -155.44694
   52    51 S   H    _H15    82     1.01448   122.71197     0.09891
   53    51 S   H    _H16    83     1.01392   120.28802  -179.06875
   54    50 S   CO4  _C15    43     1.52202   112.21817   -78.42067
   55    54 S   O    _O35    44     1.23058   120.35265   -42.17274
   56    50 S   OH   _O39    77     1.43044   107.49413   167.80532
   57    56 S   HO   _H20    78     0.97720   108.28737    50.91552
   58    54 S   CA   _C7_    45     1.49692   119.90908   139.58543
   59    58 S   CA   _C6_    46     1.39627   119.49088    14.04799
   60    59 S   CA   _C5_    47     1.42304   119.37710   174.99430
   61    59 S   CT   _C18    66     1.51266   119.34569    -2.81195
   62    61 S   HC   _H13    67     1.09778   107.96987    88.16669
   63    61 S   HC   _H14    68     1.09361   111.27075  -155.28835
   64    60 S   CA   _C10    48     1.45036   121.55940    10.52185
   65    60 S   CT   _C4_    62     1.51659   117.34713  -167.22763
   66    65 S   HC   _H6_    63     1.09341   110.76747   -95.90335
   67    65 S   HC   _H7_    64     1.09466   112.18852    25.39849
   68    65 S   HC   _H8_    65     1.09366   110.91814   139.84624
   69    50 S   CT   _C17    69     1.53161   111.13064    50.26069
   70    69 S   HC   _H3_    70     1.09946   107.91113    72.34801
   71    64 S   CA   _C9_    49     1.42956   117.24767   -11.04856
   72    71 S   CA   _C14    50     1.42939   118.65033  -175.05589
   73    58 S   CA   _C8_    59     1.40458   121.11091  -167.26707
   74    72 S   CA   _C13    51     1.39069   122.97299    -2.04287
   75    74 S   HA   _H10    52     1.08597   121.42475  -179.80617
   76    72 S   OH   _O33    57     1.37593   120.42992   177.97107
   77    76 S   HO   _H11    58     0.97165   109.66535   179.75691
   78    73 S   OH   _O34    60     1.37796   119.88104     0.97578
   79    78 S   HO   _H12    61     0.97216   110.25209    -4.19974
   80    74 S   CA   _C12    53     1.37673   119.04988    -1.60584
   81    80 S   HA   _H9_    54     1.08776   118.82328  -177.03034
   82    64 S   CA   _C11    55     1.44334   126.59006   168.73617
   83    82 S   Cl   Cl1_    56     1.74024   124.12429   -10.23089
  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  10   5   4   3
  18   8   2   1   1  15   7  16   8  13   5   7   3   2   1   5
   3  12   2   1   1  12   5   5   1  13  15  15   7   3   2  14
   5   2   1   1   1   1  11   9   5   7   4   2   1   1   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    69    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    61    69    70    40    41    44    45    46    47    48    49    51  
   38    39    42    69    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    50    54    69    40    41    44    56    48    49    51    52    53  
   42    43    50    40    48    49    51  
   41    44    45    46    47    56    48    42    50    54    59    61    62    63    69    70  
   44    45    46    47    50    61    69    70  
   43    50    54    55    58    61    69    70    56    57    48    49    51  
   50    54    69    56    48  
   45    46    47    50    61    69    70  
   46    47    69  
   47    69  
   69  
   49    51    52    53    50  
   51    52    53  
   54    55    58    59    73    61    62    63    69    70    56    57  
   52    53  
   53  
    0  
   55    58    59    60    71    73    78    61    69    70    56    57  
   58    59    73    69    56  
   57    58    61    69    70  
   69  
   59    60    64    71    72    73    78    79    65    61    62    63    69  
   60    64    71    82    73    78    65    66    67    68    61    62    63    69    70  
   64    71    72    80    82    83    73    65    66    67    68    61    62    63    69  
   62    63    69    70    64    65    73  
   63    69    70  
   69    70  
   71    72    74    80    81    82    83    76    73    78    65    66    67    68  
   66    67    68    71    82  
   67    68  
   68  
    0  
   70  
    0  
   72    74    75    80    82    83    76    77    73    78    79  
   74    75    80    81    82    76    77    73    78  
   78    79    74    76    82  
   75    80    81    82    83    76    77  
   80    81    82    76  
   77    80  
    0  
   79  
    0  
   81    82    83  
   82    83  
   83  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    48   317.000  1.522
   42    43   570.000  1.229
   42    50   317.000  1.522
   50    54   317.000  1.522
   50    69   268.000  1.529
   50    56   320.000  1.410
   54    55   570.000  1.229
   54    58   310.000  1.470
   58    59   469.000  1.400
   58    73   469.000  1.400
   59    60   469.000  1.400
   59    61   317.000  1.510
   60    64   469.000  1.400
   60    65   317.000  1.510
   64    71   469.000  1.400
   64    82   469.000  1.400
   71    72   469.000  1.400
   71    73   469.000  1.400
   72    74   469.000  1.400
   72    76   450.000  1.364
   74    75   367.000  1.080
   74    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   300.000  1.725
   76    77   553.000  0.945
   73    78   450.000  1.364
   78    79   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    46   434.000  1.010
   44    47   434.000  1.010
   56    57   553.000  0.945
   48    49   570.000  1.229
   48    51   490.000  1.335
   51    52   434.000  1.010
   51    53   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    48    63.00000  111.10000
   33    40    69    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    50    70.00000  116.00000
   38    48    49    80.00000  120.40000
   38    48    51    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    50    54    75.00000  107.99600
   42    50    69    63.00000  111.10000
   42    50    56    90.00000  109.61100
   50    42    43    80.00000  120.40000
   50    54    55    80.00000  120.40000
   50    54    58    65.00000  115.47100
   50    69    61    58.35000  112.70000
   50    69    70    37.50000  110.70000
   50    69    40    58.35000  112.70000
   50    56    57    55.00000  108.50000
   54    58    59    60.00000  119.52600
   54    58    73    60.00000  119.52600
   58    54    55    75.00000  123.78400
   58    59    60    63.00000  120.00000
   58    59    61    70.00000  120.00000
   58    73    71    63.00000  120.00000
   58    73    78    70.00000  120.00000
   59    60    64    63.00000  120.00000
   59    60    65    70.00000  120.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    69    70.00000  112.17500
   60    64    71    63.00000  120.00000
   60    64    82    63.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   64    71    72    63.00000  120.00000
   64    71    73    63.00000  120.00000
   64    82    80    63.00000  120.00000
   64    82    83    75.00000  120.00000
   71    72    74    63.00000  120.00000
   71    72    76    70.00000  120.00000
   71    73    78    70.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    80    63.00000  120.00000
   72    76    77    35.00000  113.00000
   74    80    81    35.00000  120.00000
   74    80    82    63.00000  120.00000
   80    74    75    35.00000  120.00000
   80    82    83    75.00000  120.00000
   82    64    71    63.00000  120.00000
   82    80    81    35.00000  120.00000
   76    72    74    70.00000  120.00000
   73    58    59    63.00000  120.00000
   73    71    72    63.00000  120.00000
   73    78    79    35.00000  113.00000
   65    60    64    70.00000  120.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   61    59    60    70.00000  120.00000
   61    69    70    37.50000  110.70000
   61    69    40    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    50    54    63.00000  111.10000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    40    41    37.50000  110.70000
   69    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    69    70    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   44    40    41    35.00000  109.50000
   46    44    45    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    44    46    35.00000  109.50000
   56    50    54    90.00000  109.61100
   56    50    69    50.00000  109.50000
   48    38    39    35.00000  109.50000
   48    38    42    70.00000  107.85200
   48    51    52    35.00000  119.80000
   48    51    53    35.00000  119.80000
   51    48    49    80.00000  122.90000
   53    51    52    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    69   0.44750  1.0 1.0
   29    33    40    69  -0.17800 -1.0 2.0
   29    33    40    69   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    50   0.60050  1.0 1.0
   33    38    42    50   0.05600 -1.0 2.0
   33    38    42    50   0.26150  1.0 3.0
   33    38    48    49   0.30150 -1.0 2.0
   33    38    48    51   1.39750  1.0 1.0
   33    38    48    51  -0.07950 -1.0 2.0
   33    38    48    51  -0.18750  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40    44    46   0.17350  1.0 3.0
   33    40    44    47   0.17350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    48  -0.09450  1.0 1.0
   34    33    38    48  -1.12950 -1.0 2.0
   34    33    38    48   0.54000  1.0 3.0
   34    33    40    69   0.62750  1.0 1.0
   34    33    40    69  -0.30950 -1.0 2.0
   34    33    40    69   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.69300  1.0 1.0
   34    33    40    44  -0.48450 -1.0 2.0
   38    33    40    69   0.56750  1.0 1.0
   38    33    40    69  -0.07550 -1.0 2.0
   38    33    40    69   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.36600  1.0 1.0
   38    33    40    44  -0.11450 -1.0 2.0
   38    33    40    44   0.24250  1.0 3.0
   38    42    50    54   0.65300  1.0 1.0
   38    42    50    54  -0.03850 -1.0 2.0
   38    42    50    54   0.33900  1.0 3.0
   38    42   -50    69   0.60050  1.0 1.0
   38    42   -50    69   0.05600 -1.0 2.0
   38    42   -50    69   0.26150  1.0 3.0
   38    42    50    56   0.55300  1.0 1.0
   38    42    50    56   1.25850 -1.0 2.0
   38    42    50    56  -0.23600  1.0 3.0
   38    48    51    52   2.45000 -1.0 2.0
   38    48    51    53   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    50   0.00000  1.0 1.0
   39    38    48    49   0.00000  1.0 1.0
   39    38    48    51   0.00000  1.0 1.0
   42    38    48    49   0.30150 -1.0 2.0
   42    38    48    51   0.00000  1.0 1.0
   42    50    54    55   0.30150 -1.0 2.0
   42    50    54    58   0.65300  1.0 1.0
   42    50    54    58  -0.03850 -1.0 2.0
   42    50    54    58   0.33900  1.0 3.0
   42    50    69    61  -0.95700  1.0 1.0
   42    50    69    61  -0.18200 -1.0 2.0
   42    50    69    61   0.29450  1.0 3.0
   42    50    69    70  -0.11250  1.0 3.0
   42    50    69    40  -0.95700  1.0 1.0
   42    50    69    40  -0.18200 -1.0 2.0
   42    50    69    40   0.29450  1.0 3.0
   42    50    56    57   0.91850  1.0 1.0
   42    50    56    57   0.57950  1.0 3.0
   43    42    50    54   0.30150 -1.0 2.0
   43    42    50    69   0.30150 -1.0 2.0
   43    42    50    56   0.30150 -1.0 2.0
   50    54    58    59   2.26350  1.0 1.0
   50    54    58    59   0.76750 -1.0 2.0
   50    54    58    59   0.22500  1.0 3.0
   50    54    58    73   2.26350  1.0 1.0
   50    54    58    73   0.76750 -1.0 2.0
   50    54    58    73   0.22500  1.0 3.0
   50    69   -40    33   0.56750  1.0 1.0
   50    69   -40    33  -0.07550 -1.0 2.0
   50    69   -40    33   0.20000  1.0 3.0
   50    69    40    41   0.15000  1.0 3.0
   50    69    40    44   1.36600  1.0 1.0
   50    69    40    44  -0.11450 -1.0 2.0
   50    69    40    44   0.24250  1.0 3.0
   54    50    69    61  -0.95700  1.0 1.0
   54    50    69    61  -0.18200 -1.0 2.0
   54    50    69    61   0.29450  1.0 3.0
   54    50    69    70  -0.11250  1.0 3.0
   54    50    69    40  -0.95700  1.0 1.0
   54    50    69    40  -0.18200 -1.0 2.0
   54    50    69    40   0.29450  1.0 3.0
   54    50    56    57   0.91850  1.0 1.0
   54    50    56    57   0.57950  1.0 3.0
   54    58    59    60   3.62500 -1.0 2.0
   54    58   -59    61   3.62500 -1.0 2.0
   54    58    73    71   3.62500 -1.0 2.0
   54    58    73    78   3.62500 -1.0 2.0
   55    54    58    59   1.05000 -1.0 2.0
   55    54    58    73   1.05000 -1.0 2.0
   58    59    60    64   3.62500 -1.0 2.0
   58    59    60    65   3.62500 -1.0 2.0
   58    59    61    62   0.00000  1.0 1.0
   58    59    61    63   0.00000  1.0 1.0
   58    59    61    69   0.04150 -1.0 2.0
   58    73    78    79   0.84100 -1.0 2.0
   59    58    73    71   3.62500 -1.0 2.0
   59    58    73    78   3.62500 -1.0 2.0
   59    60   -64    71   3.62500 -1.0 2.0
   59    60    64    82   3.62500 -1.0 2.0
   59    60    65    66   0.00000  1.0 1.0
   59    60    65    67   0.00000  1.0 1.0
   59    60    65    68   0.00000  1.0 1.0
   59    61   -69    50  -0.03700  1.0 1.0
   59    61   -69    50   0.37200 -1.0 2.0
   59    61   -69    50  -0.47300  1.0 3.0
   59    61    69    70   0.43200  1.0 3.0
   59    61    69    40  -0.03700  1.0 1.0
   59    61    69    40   0.37200 -1.0 2.0
   59    61    69    40  -0.47300  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    69   0.04150 -1.0 2.0
   60    64    71    72   3.62500 -1.0 2.0
   60    64    71    73   3.62500 -1.0 2.0
   60    64    82    80   3.62500 -1.0 2.0
   60    64    82    83   3.62500 -1.0 2.0
   64    60    65    66   0.00000  1.0 1.0
   64    60    65    67   0.00000  1.0 1.0
   64    60    65    68   0.00000  1.0 1.0
   64    71    72    74   3.62500 -1.0 2.0
   64    71    72    76   3.62500 -1.0 2.0
   64    71   -73    58   3.62500 -1.0 2.0
   64    71    73    78   3.62500 -1.0 2.0
   71    64    82    80   3.62500 -1.0 2.0
   71    64    82    83   3.62500 -1.0 2.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72   -74    80   3.62500 -1.0 2.0
   71    72    76    77   0.84100 -1.0 2.0
   71    73    78    79   0.84100 -1.0 2.0
   72    71    73    58   3.62500 -1.0 2.0
   72    71    73    78   3.62500 -1.0 2.0
   72    74    80    81   3.62500 -1.0 2.0
   72    74    80    82   3.62500 -1.0 2.0
   74    72    76    77   0.84100 -1.0 2.0
   74    80   -82    64   3.62500 -1.0 2.0
   74    80    82    83   3.62500 -1.0 2.0
   75    74    80    81   3.62500 -1.0 2.0
   75    74    80    82   3.62500 -1.0 2.0
   81    80    82    64   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    64   -71    72   3.62500 -1.0 2.0
   82    64    71    73   3.62500 -1.0 2.0
   76    72    74    75   3.62500 -1.0 2.0
   76    72    74    80   3.62500 -1.0 2.0
   73    58   -59    60   3.62500 -1.0 2.0
   73    58    59    61   3.62500 -1.0 2.0
   73    71    72    74   3.62500 -1.0 2.0
   73    71    72    76   3.62500 -1.0 2.0
   65    60    64    71   3.62500 -1.0 2.0
   65    60    64    82   3.62500 -1.0 2.0
   61    59    60    64   3.62500 -1.0 2.0
   61    59    60    65   3.62500 -1.0 2.0
   61    69    40    33   0.56750  1.0 1.0
   61    69    40    33  -0.07550 -1.0 2.0
   61    69    40    33   0.20000  1.0 3.0
   61    69    40    41   0.15000  1.0 3.0
   61    69    40    44   1.36600  1.0 1.0
   61    69    40    44  -0.11450 -1.0 2.0
   61    69    40    44   0.24250  1.0 3.0
   62    61    69    50   0.15000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    40   0.15000  1.0 3.0
   63    61    69    50   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    40   0.15000  1.0 3.0
   69    50    54    55   0.30150 -1.0 2.0
   69    50   -54    58   0.05850 -1.0 2.0
   69    50   -54    58   0.17250  1.0 3.0
   69    50    56    57  -0.11600  1.0 1.0
   69    50    56    57  -0.09450 -1.0 2.0
   69    50    56    57   0.21250  1.0 3.0
   69    40    44    45   0.17350  1.0 3.0
   69    40    44    46   0.17350  1.0 3.0
   69    40    44    47   0.17350  1.0 3.0
   70    69    40    33   0.15000  1.0 3.0
   70    69    40    41   0.15000  1.0 3.0
   70    69    40    44   0.19200  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    48  -0.95700  1.0 1.0
   40    33    38    48  -0.18200 -1.0 2.0
   40    33    38    48   0.29450  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    46   0.13050  1.0 3.0
   41    40    44    47   0.13050  1.0 3.0
   56    50    54    55   0.30150 -1.0 2.0
   56    50    54    58   0.65300  1.0 1.0
   56    50    54    58  -0.03850 -1.0 2.0
   56    50    54    58   0.33900  1.0 3.0
   56    50    69    61   0.86500  1.0 1.0
   56    50    69    61  -0.17500 -1.0 2.0
   56    50    69    61   0.20800  1.0 3.0
   56    50    69    70   0.23400  1.0 3.0
   56    50    69    40   0.86500  1.0 1.0
   56    50    69    40  -0.17500 -1.0 2.0
   56    50    69    40   0.20800  1.0 3.0
   48    38    42    43   0.30150 -1.0 2.0
   48    38    42    50   0.65300  1.0 1.0
   48    38    42    50  -0.03850 -1.0 2.0
   48    38    42    50   0.33900  1.0 3.0
   49    48    51    52   2.45000 -1.0 2.0
   49    48    51    53   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
   38    50    42    43  10.50000 -1.0 2.0
   50    58    54    55  10.50000 -1.0 2.0
   59    73    58    54   4.00000 -1.0 2.0
   60    61    59    58   4.00000 -1.0 2.0
   64    65    60    59   4.00000 -1.0 2.0
   71    82    64    60   4.00000 -1.0 2.0
   72    73    71    64   4.00000 -1.0 2.0
   74    76    72    71   4.00000 -1.0 2.0
   80    75    74    72   1.10000 -1.0 2.0
   82    81    80    74   1.10000 -1.0 2.0
   80    83    82    64   4.00000 -1.0 2.0
   71    78    73    58   4.00000 -1.0 2.0
   38    51    48    49  10.50000 -1.0 2.0
   53    48    51    52   1.00000 -1.0 2.0
END
