* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    160    235     464
    1     0 S   NP   _N1_     1    28.88486    98.03730   -23.14512
    2     1 S   H    _HN1     2     1.02950    64.37076    14.23779
    3     1 S   H    _H1_     3     1.02828    47.07506   167.22417
    4     1 S   H    _H2_     4     1.02786   102.85679   -90.18043
    5     1 S   CT   _CA1     5     1.50112   143.83776   104.17249
    6     5 S   HC   _HA1     6     1.09573   105.19448   103.49772
    7     5 S   CO3  _C1_     7     1.53794   112.47206   -16.73545
    8     7 S   O2Z  _O11     8     1.26373   115.00838   -42.25801
    9     7 S   O2Z  _O12     9     1.26242   114.94907   136.88372
   10     5 S   CT   _CB1    10     1.53081   107.42063  -138.51255
   11    10 S   HC   HB11    11     1.09832   109.38041   -49.66187
   12    10 S   HC   HB12    12     1.09813   110.44333    66.95141
   13    10 S   CT   _CG1    13     1.52985   112.60011  -170.63960
   14    13 S   HC   HG11    14     1.09582   110.62296   -65.54995
   15    13 S   HC   HG12    15     1.09671   109.79139    53.67916
   16    13 S   C    _CD1    16     1.51799   112.24578   174.13666
   17    16 S   O    _OE1    17     1.22727   123.30224     6.61684
   18    16 S   N    _N2_    18     1.38657   111.65569  -173.48194
   19    18 S   H    _HN2    19     1.01579   118.91424     1.82263
   20    18 S   CT1  _CA2    20     1.46195   123.40017   177.59735
   21    20 S   HC   _HA2    21     1.09734   109.38046     2.63671
   22    20 S   C    _C2_    22     1.53550   108.58032  -112.86416
   23    22 S   O    _O2_    23     1.23061   122.27123  -147.64321
   24    20 S   CT   _CB2    32     1.53356   111.57850   124.67497
   25    24 S   HC   HB21    33     1.09587   110.01241    56.11080
   26    24 S   HC   HB22    34     1.09420   110.02491   175.14280
   27    22 S   N    _N3_    24     1.38323   113.70616    39.77692
   28    27 S   H    _HN3    25     1.01587   119.59430    -3.28325
   29    24 S   S    _SG2    35     1.82774   111.50106   -64.78395
   30    27 S   CT   _CA3    26     1.45291   123.21979   177.14837
   31    30 S   HC   HA31    27     1.09549   107.50577   -64.69501
   32    30 S   HC   HA32    28     1.09557   107.98975    51.74604
   33    29 S   CT   _C21    36     1.83708    99.74329   172.28797
   34    33 S   HC   _H3_    37     1.09280   108.06428   -42.56607
   35    30 S   CO3  _C3_    29     1.52963   114.07621   173.74549
   36    35 S   O2Z  _O31    30     1.26376   116.06544    -0.70748
   37    35 S   O2Z  _O32    31     1.26427   114.41604   179.35320
   38    33 S   CM   _C20    38     1.51168   107.19692  -162.24291
   39    38 S   HC   _H24    39     1.09165   114.25780   -71.28607
   40    33 S   CT   _C22    84     1.53309   110.53421    76.70388
   41    40 S   HC   _H25    85     1.09679   111.87361    64.31728
   42    40 S   HC   _H26    86     1.09508   111.47787   -56.65276
   43    38 S   CM   _C19    40     1.34887   127.84487   109.81628
   44    40 S   CO4  _C23    87     1.50911   110.57261  -174.56415
   45    44 S   O    _O33    88     1.22691   123.31227  -126.26247
   46    44 S   HC   _H27    89     1.10366   115.84788    56.03979
   47    43 S   CM   _C18    41     1.45942   121.07912   178.82264
   48    47 S   HC   _H23    42     1.08850   115.34401   132.54428
   49    43 S   CT   _C24    80     1.50433   125.42929    -3.93024
   50    49 S   HC   _H28    81     1.09615   110.64723  -125.38732
   51    49 S   HC   _H29    82     1.09557   110.19025   114.95344
   52    49 S   HC   _H30    83     1.09192   113.55391    -5.79393
   53    47 S   CM   _C17    43     1.34377   124.65393   -49.40243
   54    53 S   HC   _H22    44     1.08472   118.98916     0.37325
   55    53 S   CM   _C16    45     1.44949   122.67507  -179.18459
   56    55 S   HC   _H21    46     1.09077   114.03829    -0.02798
   57    55 S   CM   _C15    47     1.35048   127.64249   180.00000
   58    57 S   CM   _C14    48     1.46598   118.21229  -179.97202
   59    58 S   HC   _H20    49     1.09024   115.69932     0.22381
   60    57 S   CT   _C25    76     1.50848   124.62058     0.06256
   61    60 S   HC   _H31    77     1.09585   110.46714  -119.59089
   62    60 S   HC   _H32    78     1.09585   110.47770   120.07643
   63    60 S   HC   _H33    79     1.09179   113.86245     0.27124
   64    58 S   CM   _C13    50     1.34442   126.70202   179.97202
   65    64 S   HC   _H19    51     1.08575   121.28015    -1.03382
   66    64 S   CM   _C6_    52     1.46182   123.43980  -179.08743
   67    66 S   CM   _C5_    53     1.35600   121.80098   -68.27568
   68    67 S   CT   _C10    54     1.51304   122.54358   176.71980
   69    68 S   HC   _H11    55     1.09761   108.19702   109.22036
   70    68 S   HC   _H12    56     1.09695   109.74547  -134.50847
   71    67 S   CT   _C4_    72     1.51055   124.78476    -4.21784
   72    71 S   HC   _H4_    73     1.09486   110.04795   110.54169
   73    71 S   HC   _H5_    74     1.09289   113.73628   -10.98016
   74    71 S   HC   _H6_    75     1.09572   109.98030  -130.22377
   75    68 S   CT   _C9_    57     1.52273   114.43145   -12.66853
   76    75 S   HC   _H9_    58     1.09617   109.50826   164.56629
   77    75 S   HC   _H10    59     1.09609   110.03349   -78.70368
   78    75 S   CT   _C8_    60     1.52008   110.30862    43.39539
   79    78 S   HC   _H7_    61     1.09904   108.43621    61.44591
   80    78 S   HC   _H8_    62     1.09739   109.35649   176.82072
   81    66 S   CT   _C7_    63     1.54350   115.54210   111.41223
   82    81 S   CT   _C11    64     1.54577   109.20239   -71.90903
   83    82 S   HC   _H13    65     1.09614   111.09837  -174.80454
   84    82 S   HC   _H14    66     1.09622   111.59955    65.82151
   85    82 S   HC   _H15    67     1.09549   111.89573   -54.40520
   86    81 S   CT   _C12    68     1.54676   112.38097    48.14074
   87    86 S   HC   _H16    69     1.09656   110.95023   174.07937
   88    86 S   HC   _H17    70     1.09625   111.23499    54.27122
   89    86 S   HC   _H18    71     1.09578   112.11332   -66.59831
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  13   4   6   4   3   9   2   1   1  10   4
   4   2   1   1   6   3   9   3   9  10   4   4   2   1   1   9
   3  21  14  13   6   5   5   2   1   1   8   5   4  11   4   3
   8   7   3   2   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    43    40    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    47    49    40    41    42    44    45    46  
   38    39    43    40    41    42    44  
   36    37  
   37  
    0  
   39    43    47    48    53    49    50    51    52    40    41    42    44  
   43    47    49    40  
   41    42    44    45    46    43  
   42    44    45    46  
   44    45    46  
   47    48    53    54    55    49    50    51    52  
   45    46  
   46  
    0  
   48    53    54    55    56    57    49    50    51    52  
   53    54    55    49  
   50    51    52    53  
   51    52  
   52  
    0  
   54    55    56    57    58    60  
   55    56    57  
   56    57    58    59    64    60    61    62    63  
   57    58    60  
   58    59    64    65    66    60    61    62    63  
   59    64    65    66    67    81    60    61    62    63  
   64    65    66    60  
   61    62    63    64  
   62    63  
   63  
    0  
   65    66    67    68    78    81    82    86    71  
   66    67    81  
   67    68    69    70    75    78    79    80    81    82    83    84    85    86    87    88    89    71    72    73    74  
   68    69    70    75    76    77    78    81    82    86    71    72    73    74  
   69    70    75    76    77    78    79    80    81    71    72    73    74  
   70    75    76    77    78    71  
   75    76    77    78    71  
   72    73    74    75    81  
   73    74  
   74  
    0  
   76    77    78    79    80    81    82    86  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85    86    87    88    89  
   80    81    82    86  
   81    82    86  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    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   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    47   380.000  1.444
   43    49   317.000  1.510
   47    48   340.000  1.080
   47    53   549.000  1.340
   53    54   340.000  1.080
   53    55   380.000  1.444
   55    56   340.000  1.080
   55    57   549.000  1.340
   57    58   380.000  1.444
   57    60   317.000  1.510
   58    59   340.000  1.080
   58    64   549.000  1.340
   64    65   340.000  1.080
   64    66   380.000  1.444
   66    67   549.000  1.340
   66    81   317.000  1.510
   67    68   317.000  1.510
   67    71   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   268.000  1.529
   81    86   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    46   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    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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    47    70.00000  123.01800
   38    43    49    70.00000  124.00000
   43    38    39    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    53    70.00000  123.01800
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    35.00000  109.50000
   47    53    54    35.00000  120.00000
   47    53    55    70.00000  123.01800
   53    47    48    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    70.00000  123.01800
   55    53    54    35.00000  120.00000
   55    57    58    70.00000  123.01800
   55    57    60    70.00000  124.00000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    64    70.00000  123.01800
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    63    35.00000  109.50000
   58    64    65    35.00000  120.00000
   58    64    66    70.00000  123.01800
   64    58    59    35.00000  120.00000
   64    66    67    70.00000  123.01800
   64    66    81    70.00000  124.00000
   66    64    65    35.00000  120.00000
   66    67    68    70.00000  124.00000
   66    67    71    70.00000  124.00000
   66    81    78    70.00000  112.02700
   66    81    82    70.00000  112.02700
   66    81    86    70.00000  112.02700
   67    68    69    35.00000  109.50000
   67    68    70    35.00000  109.50000
   67    68    75    70.00000  112.02700
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    78    58.35000  112.70000
   70    68    69    33.00000  107.80000
   75    68    69    37.50000  110.70000
   75    68    70    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    58.35000  112.70000
   78    81    86    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    66    67    70.00000  124.00000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    82    83    37.50000  110.70000
   81    82    84    37.50000  110.70000
   81    82    85    37.50000  110.70000
   81    86    87    37.50000  110.70000
   81    86    88    37.50000  110.70000
   81    86    89    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    81    82    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   71    67    68    65.00000  117.92700
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   60    57    58    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   49    43    47    70.00000  124.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    80.00000  120.40000
   40    44    46    35.00000  115.00000
   42    40    41    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    35.00000  109.50000
   46    44    45    35.00000  123.00000
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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   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    43    47   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    46   0.74550  1.0 1.0
   33    40    44    46  -0.00500 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    44  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  1.0 3.0
   38    43    47    48  -0.18600  1.0 3.0
   38    43    47    53   0.28850  1.0 1.0
   38    43    47    53   2.61350 -1.0 2.0
   38    43    47    53   0.78400  1.0 3.0
   38    43    49    50   0.00000  1.0 1.0
   38    43    49    51   0.00000  1.0 1.0
   38    43    49    52   0.00000  1.0 1.0
   39    38    43    47   7.00000 -1.0 2.0
   39    38    43    49   7.00000 -1.0 2.0
   43    47    53    54   7.00000 -1.0 2.0
   43    47    53    55   7.00000 -1.0 2.0
   47    43    49    50   0.00000  1.0 1.0
   47    43    49    51   0.00000  1.0 1.0
   47    43    49    52   0.00000  1.0 1.0
   47    53    55    56  -0.18600  1.0 3.0
   47    53    55    57   0.28850  1.0 1.0
   47    53    55    57   2.61350 -1.0 2.0
   47    53    55    57   0.78400  1.0 3.0
   48    47    53    54   7.00000 -1.0 2.0
   48    47    53    55   7.00000 -1.0 2.0
   53    55    57    58   7.00000 -1.0 2.0
   53    55    57    60   7.00000 -1.0 2.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    57  -0.18600  1.0 3.0
   55    57    58    59  -0.18600  1.0 3.0
   55    57    58    64   0.28850  1.0 1.0
   55    57    58    64   2.61350 -1.0 2.0
   55    57    58    64   0.78400  1.0 3.0
   55    57    60    61   0.00000  1.0 1.0
   55    57    60    62   0.00000  1.0 1.0
   55    57    60    63   0.00000  1.0 1.0
   56    55    57    58   7.00000 -1.0 2.0
   56    55    57    60   7.00000 -1.0 2.0
   57    58    64    65   7.00000 -1.0 2.0
   57    58    64    66   7.00000 -1.0 2.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    63   0.00000  1.0 1.0
   58    64    66    67   0.28850  1.0 1.0
   58    64    66    67   2.61350 -1.0 2.0
   58    64    66    67   0.78400  1.0 3.0
   58    64    66    81  -0.18600  1.0 3.0
   59    58    64    65   7.00000 -1.0 2.0
   59    58    64    66   7.00000 -1.0 2.0
   64    66    67    68   7.00000 -1.0 2.0
   64    66    67    71   7.00000 -1.0 2.0
   64    66    81    78   0.98200  1.0 1.0
   64    66    81    78  -0.11900 -1.0 2.0
   64    66    81    78   0.24250  1.0 3.0
   64    66    81    82   0.98200  1.0 1.0
   64    66    81    82  -0.11900 -1.0 2.0
   64    66    81    82   0.24250  1.0 3.0
   64    66    81    86   0.98200  1.0 1.0
   64    66    81    86  -0.11900 -1.0 2.0
   64    66    81    86   0.24250  1.0 3.0
   65    64    66    67  -0.18600  1.0 3.0
   65    64    66    81   0.00000  1.0 1.0
   66    67    68    69   0.00000  1.0 1.0
   66    67    68    70   0.00000  1.0 1.0
   66    67    68    75   0.09850  1.0 1.0
   66    67    68    75   0.15250 -1.0 2.0
   66    67    68    75  -0.50650  1.0 3.0
   66    67    71    72   0.00000  1.0 1.0
   66    67    71    73   0.00000  1.0 1.0
   66    67    71    74   0.00000  1.0 1.0
   66    81    82    83   0.15000  1.0 3.0
   66    81    82    84   0.15000  1.0 3.0
   66    81    82    85   0.15000  1.0 3.0
   66    81    86    87   0.15000  1.0 3.0
   66    81    86    88   0.15000  1.0 3.0
   66    81    86    89   0.15000  1.0 3.0
   67    66    81    78   0.09850  1.0 1.0
   67    66    81    78   0.15250 -1.0 2.0
   67    66    81    78  -0.50650  1.0 3.0
   67    66    81    82   0.09850  1.0 1.0
   67    66    81    82   0.15250 -1.0 2.0
   67    66    81    82  -0.50650  1.0 3.0
   67    66    81    86   0.09850  1.0 1.0
   67    66    81    86   0.15250 -1.0 2.0
   67    66    81    86  -0.50650  1.0 3.0
   67    68    75    76   0.15000  1.0 3.0
   67    68    75    77   0.15000  1.0 3.0
   67    68   -75    78   0.34400  1.0 1.0
   67    68   -75    78   0.09450 -1.0 2.0
   67    68   -75    78   0.11100  1.0 3.0
   68    67    71    72   0.34800  1.0 3.0
   68    67    71    73   0.34800  1.0 3.0
   68    67    71    74   0.34800  1.0 3.0
   68    75    78    79   0.15000  1.0 3.0
   68    75    78    80   0.15000  1.0 3.0
   68    75    78    81   0.56750  1.0 1.0
   68    75    78    81  -0.07550 -1.0 2.0
   68    75    78    81   0.20000  1.0 3.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    77   0.15000  1.0 3.0
   69    68    75    78   0.15000  1.0 3.0
   70    68    75    76   0.15000  1.0 3.0
   70    68    75    77   0.15000  1.0 3.0
   70    68    75    78   0.15000  1.0 3.0
   75    78   -81    66   0.34400  1.0 1.0
   75    78   -81    66   0.09450 -1.0 2.0
   75    78   -81    66   0.11100  1.0 3.0
   75    78    81    82   0.56750  1.0 1.0
   75    78    81    82  -0.07550 -1.0 2.0
   75    78    81    82   0.20000  1.0 3.0
   75    78    81    86   0.56750  1.0 1.0
   75    78    81    86  -0.07550 -1.0 2.0
   75    78    81    86   0.20000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    81    82    83   0.15000  1.0 3.0
   78    81    82    84   0.15000  1.0 3.0
   78    81    82    85   0.15000  1.0 3.0
   78    81    86    87   0.15000  1.0 3.0
   78    81    86    88   0.15000  1.0 3.0
   78    81    86    89   0.15000  1.0 3.0
   79    78    81    66   0.15000  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    86   0.15000  1.0 3.0
   80    78    81    66   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    86   0.15000  1.0 3.0
   81    66   -67    68   7.00000 -1.0 2.0
   81    66    67    71   7.00000 -1.0 2.0
   82    81    86    87   0.15000  1.0 3.0
   82    81    86    88   0.15000  1.0 3.0
   82    81    86    89   0.15000  1.0 3.0
   86    81    82    83   0.15000  1.0 3.0
   86    81    82    84   0.15000  1.0 3.0
   86    81    82    85   0.15000  1.0 3.0
   71    67    68    69   0.34800  1.0 3.0
   71    67    68    70   0.34800  1.0 3.0
   71    67    68    75   0.46850  1.0 1.0
   71    67    68    75   0.08550 -1.0 2.0
   71    67    68    75   0.09800  1.0 3.0
   60    57    58    59   0.00000  1.0 1.0
   60    57    58    64  -0.18600  1.0 3.0
   49    43    47    48   0.00000  1.0 1.0
   49    43    47    53  -0.18600  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    46   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    46   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   47    49    43    38  15.00000 -1.0 2.0
   43    48    47    53  15.00000 -1.0 2.0
   55    54    53    47  15.00000 -1.0 2.0
   53    56    55    57  15.00000 -1.0 2.0
   58    60    57    55  15.00000 -1.0 2.0
   57    59    58    64  15.00000 -1.0 2.0
   66    65    64    58  15.00000 -1.0 2.0
   64    81    66    67   1.10000 -1.0 2.0
   68    71    67    66   1.10000 -1.0 2.0
   40    46    44    45  10.50000 -1.0 2.0
END
