* LIGAND DATABASE FILE (OPLS2005)
*
001      96   100    193    327     592
    1     0 S   NP   _N1_     1    28.60388    93.50449   -22.92288
    2     1 S   H    _HN1     2     1.02959    90.84120    25.89998
    3     1 S   H    _H1_     3     1.02837    21.88671   164.47944
    4     1 S   H    _H2_     4     1.02779   100.31801   -82.90144
    5     1 S   CT   _CA1     5     1.50116   131.61474   144.53749
    6     5 S   HC   _HA1     6     1.09575   105.23276    66.96509
    7     5 S   CO3  _C1_     7     1.53781   112.38449   -53.24975
    8     7 S   O2Z  _O11     8     1.26359   115.00177   -44.16506
    9     7 S   O2Z  _O12     9     1.26238   114.91816   135.01783
   10     5 S   CT   _CB1    10     1.53097   107.43273  -175.13200
   11    10 S   HC   HB11    11     1.09825   109.32415   -50.88669
   12    10 S   HC   HB12    12     1.09819   110.42322    65.65925
   13    10 S   CT   _CG1    13     1.53012   112.67564  -171.98825
   14    13 S   HC   HG11    14     1.09596   110.45245   -64.00048
   15    13 S   HC   HG12    15     1.09654   109.97371    55.22305
   16    13 S   C    _CD1    16     1.51816   112.31713   175.57366
   17    16 S   O    _OE1    17     1.22726   123.26798    -1.43953
   18    16 S   N    _N2_    18     1.38643   111.64257   178.71869
   19    18 S   H    _HN2    19     1.01583   119.03739     1.05239
   20    18 S   CT1  _CA2    20     1.46174   123.34588   179.77794
   21    20 S   HC   _HA2    21     1.09740   109.39000    -7.44745
   22    20 S   C    _C2_    22     1.53475   108.39055  -123.01786
   23    22 S   O    _O2_    23     1.23025   122.20589  -145.74787
   24    20 S   CT   _CB2    32     1.53510   111.72288   114.53165
   25    24 S   HC   HB21    33     1.09560   109.49124    55.71407
   26    24 S   HC   HB22    34     1.09298   109.76763   174.15514
   27    22 S   N    _N3_    24     1.38489   113.44635    41.61424
   28    27 S   H    _HN3    25     1.01510   118.94894    -0.62150
   29    24 S   S    _SG2    35     1.83174   111.44065   -64.07049
   30    27 S   CT   _CA3    26     1.45452   123.46994   175.01984
   31    30 S   HC   HA31    27     1.09520   109.27558    23.85757
   32    30 S   HC   HA32    28     1.09496   107.11851   140.87986
   33    29 S   CT   _C18    36     1.95512   102.85591  -156.73728
   34    30 S   CO3  _C3_    29     1.52924   113.06509   -99.63498
   35    34 S   O2Z  _O31    30     1.26405   115.38942   -44.61093
   36    34 S   O2Z  _O32    31     1.26352   114.99079   136.29757
   37    33 S   CT   _C13    37     1.56711   105.59575   -55.74450
   38    37 S   HC   _H5_    38     1.09393   106.85942    50.03320
   39    33 S   CT   _C19    83     1.54812   102.93275    74.29937
   40    39 S   HC   _H7_    84     1.09324   113.73565   -39.06151
   41    37 S   CT   _C12    39     1.53651   117.33481   164.03789
   42    41 S   HC   _H20    40     1.08560   112.99258    60.13626
   43    41 S   HC   _H21    41     1.09351   110.12469   -59.40791
   44    37 S   CT   _C14    59     1.57419   110.65585   -65.96247
   45    44 S   HC   _H6_    60     1.09814   107.46384    63.79268
   46    39 S   OH   _O35    85     1.42052   112.97710  -159.32815
   47    46 S   HO   _H31    86     0.97260   107.67462  -179.27153
   48    41 S   CT   _C11    42     1.52252   112.42037  -178.04295
   49    48 S   HC   _H18    43     1.09542   108.54543    67.08190
   50    48 S   HC   _H19    44     1.09751   108.59414  -178.09577
   51    44 S   CT   _C15    61     1.55283   111.72181   -49.97992
   52    51 S   HC   _H22    62     1.09468   109.80816   -74.23530
   53    51 S   HC   _H23    63     1.09598   109.82806   169.67909
   54    48 S   CT   _C10    45     1.53609   112.60731   -56.78100
   55    54 S   HC   _H4_    46     1.09883   107.13736   -63.23626
   56    51 S   CT   _C16    64     1.54248   114.60538    50.71851
   57    56 S   HC   _H24    65     1.09564   109.08523    69.63150
   58    56 S   HC   _H25    66     1.09714   108.29568  -176.19476
   59    54 S   CT   _C9_    47     1.54180   109.46321  -179.23332
   60    59 S   HC   _H16    48     1.09804   110.16419    51.81385
   61    59 S   HC   _H17    49     1.09730   110.08708   166.36864
   62    33 S   CT   _C17    67     1.58768   110.07962  -177.93948
   63    59 S   CT   _C8_    50     1.52895   113.18829   -70.67356
   64    63 S   HC   _H3_    51     1.09540   109.75856    70.47262
   65    62 S   CT   _C21    68     1.57002   101.33409   -62.73087
   66    65 S   HC   _H8_    69     1.09823   109.09784    70.26912
   67    62 S   CT   _C27    87     1.56022   116.59411  -178.39185
   68    67 S   HC   _H32    88     1.09158   113.60681    53.09282
   69    67 S   HC   _H33    89     1.08784   113.66696   -70.82904
   70    67 S   HC   _H34    90     1.09668   110.66143   172.90505
   71    63 S   CT   _C7_    52     1.52603   112.37337   -51.85564
   72    71 S   HC   _H14    53     1.09647   109.98247   -73.98266
   73    71 S   HC   _H15    54     1.09752   109.23475   171.78408
   74    65 S   CM   _C22    70     1.51969   118.13609  -171.60974
   75    65 S   CT   _C20    80     1.56045   102.38593   -41.44767
   76    75 S   HC   _H26    81     1.09685   108.88627   141.25610
   77    75 S   HC   _H27    82     1.09341   113.15259   -99.67085
   78    63 S   OH   _O36    95     1.42540   108.44422  -172.98963
   79    78 S   HO   _H35    96     0.97245   107.51935  -179.53354
   80    71 S   CT   _C6_    55     1.53015   112.72617    49.98283
   81    80 S   HC   _H12    56     1.09524   107.75001    71.30622
   82    80 S   HC   _H13    57     1.09773   108.57947  -174.59775
   83    74 S   CM   _C23    71     1.44694   117.25962   -79.06705
   84    83 S   HC   _H28    72     1.08525   118.87110     0.36637
   85    54 S   CT   _C5_    58     1.55538   112.28852    55.78414
   86    83 S   CM   _C24    73     1.33621   121.55391  -179.25035
   87    86 S   HC   _H29    74     1.08347   121.54466  -179.97202
   88    86 S   CO4  _C25    75     1.47449   120.59070     0.32143
   89    88 S   O    _O33    76     1.22646   120.65115  -179.38198
   90    85 S   CT   _C4_    91     1.55335   109.65759  -172.12705
   91    90 S   HC   _H9_    92     1.09533   111.51395    54.11768
   92    90 S   HC   _H10    93     1.09300   113.15155   -65.25587
   93    90 S   HC   _H11    94     1.09607   110.81091   174.90100
   94    88 S   OS   _O34    77     1.36789   117.07456     0.87715
   95    74 S   CM   _C26    78     1.33984   126.23206   103.53467
   96    95 S   HC   _H30    79     1.07962   126.68876    -1.85541
  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
  28   2   1   1  24  10  14   7  13   6   5  21   8   6   1  11
   5   4  12   6   5  16   7  12   4   3  12   6   5  12  10   6
  15   7   5   2   1   1   9   6   5  11   4   1   1   2   1   7
   3   2   8   4   4   5   3   4   2   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    62    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    56    62    65    75    39    40    46    67  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    85    44    45    51    56    57    58    62    65    66    74    75    76    77    39    40    46    47    67    68    69    70  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    80    85    44    45    51    52    53    56    62    65    75    39    40    46    67    90  
   41    42    43    48    85    44    45    51    62    39  
   40    46    47    67    41    44    56    62    65    66    74    75    76    77  
   46    47    62    65    75    76    77  
   42    43    48    49    50    54    55    59    85    44    45    51    62  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    56    57    58    62    90    91    92    93    48    54    55    59    71    80    81    82    85  
   51    52    53    56    90    54    80    85  
   47    62    65    75    76    77  
   75  
   49    50    54    55    59    60    61    63    80    85    90  
   50    54    55    59    85  
   54    55    59    85  
   52    53    56    57    58    62    65    67    90    54    80    85  
   53    56    57    58    62    85  
   56    57    58    62    85  
   55    59    60    61    63    64    71    80    81    82    85    90    91    92    93    78  
   59    60    61    63    80    85    90  
   57    58    62    65    66    74    75    67    68    69    70    85  
   58    62    65    67  
   62    65    67  
   60    61    63    64    71    72    73    80    85    90    78    79  
   61    63    64    71    85    78  
   63    64    71    85    78  
   65    66    74    83    95    75    76    77    67    68    69    70  
   64    71    72    73    80    81    82    85    78    79  
   71    72    73    80    78    79  
   66    74    83    84    86    94    95    96    75    76    77    67    68    69    70  
   74    83    95    75    76    77    67  
   68    69    70    74    75  
   69    70  
   70  
    0  
   72    73    80    81    82    85    90    78    79  
   73    80    81    82    85    78  
   80    81    82    85    78  
   83    84    86    87    88    94    95    96    75    76    77  
   76    77    83    95  
   77  
    0  
   79    80  
    0  
   81    82    85    90    91    92    93  
   82    85    90  
   85    90  
   84    86    87    88    89    94    95    96  
   86    87    88    95  
   90    91    92    93  
   87    88    89    94    95  
   88    89    94  
   89    94    95    96  
   94    95  
   91    92    93  
   92    93  
   93  
    0  
   95    96  
   96  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   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    62   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    85   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   268.000  1.529
   63    64   340.000  1.090
   63    71   268.000  1.529
   63    78   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    85   268.000  1.529
   85    44   268.000  1.529
   85    90   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    65   268.000  1.529
   62    67   268.000  1.529
   65    66   340.000  1.090
   65    74   317.000  1.510
   65    75   268.000  1.529
   74    83   380.000  1.444
   74    95   549.000  1.340
   83    84   340.000  1.080
   83    86   549.000  1.340
   86    87   340.000  1.080
   86    88   320.000  1.462
   88    89   570.000  1.229
   88    94   214.000  1.327
   94    95   440.000  1.360
   95    96   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   78    79   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    62    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    62    56    58.35000  112.70000
   33    62    65    58.35000  112.70000
   33    62    67    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    85    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    58.35000  112.70000
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    59    58.35000  112.70000
   48    54    85    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    63    58.35000  112.70000
   54    85    80    58.35000  112.70000
   54    85    44    58.35000  112.70000
   54    85    90    58.35000  112.70000
   59    54    55    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    71    58.35000  112.70000
   59    63    78    50.00000  109.50000
   61    59    60    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    80    58.35000  112.70000
   63    78    79    55.00000  108.50000
   71    63    64    37.50000  110.70000
   71    80    81    37.50000  110.70000
   71    80    82    37.50000  110.70000
   71    80    85    58.35000  112.70000
   73    71    72    33.00000  107.80000
   80    71    72    37.50000  110.70000
   80    71    73    37.50000  110.70000
   80    85    44    58.35000  112.70000
   80    85    90    58.35000  112.70000
   82    80    81    33.00000  107.80000
   85    54    55    37.50000  110.70000
   85    54    59    58.35000  112.70000
   85    80    81    37.50000  110.70000
   85    80    82    37.50000  110.70000
   85    44    45    37.50000  110.70000
   85    44    51    58.35000  112.70000
   85    90    91    37.50000  110.70000
   85    90    92    37.50000  110.70000
   85    90    93    37.50000  110.70000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    56    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    62    65    58.35000  112.70000
   56    62    67    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    33    37    58.35000  112.70000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    74    70.00000  112.02700
   62    65    75    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   65    74    83    70.00000  124.00000
   65    74    95    70.00000  124.00000
   65    75    76    37.50000  110.70000
   65    75    77    37.50000  110.70000
   65    75    39    58.35000  112.70000
   74    65    66    35.00000  109.50000
   74    83    84    35.00000  120.00000
   74    83    86    70.00000  123.01800
   74    95    94    80.00000  120.01400
   74    95    96    35.00000  120.00000
   83    86    87    35.00000  120.00000
   83    86    88    65.00000  118.96000
   86    83    84    35.00000  120.00000
   86    88    89    80.00000  123.72100
   86    88    94    90.00000  111.29400
   88    86    87    40.00000  117.72500
   88    94    95    90.00000  114.22900
   94    88    89    83.00000  123.40000
   94    95    96    55.00000  109.52600
   95    74    83    70.00000  123.01800
   75    65    66    37.50000  110.70000
   75    65    74    70.00000  112.02700
   75    39    40    37.50000  110.70000
   75    39    46    50.00000  109.50000
   77    75    76    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    62    58.35000  112.70000
   39    75    76    37.50000  110.70000
   39    75    77    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   67    62    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   90    85    44    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   78    63    64    35.00000  109.50000
   78    63    71    50.00000  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    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   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    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    62    56   0.44750  1.0 1.0
   29    33    62    56  -0.17800 -1.0 2.0
   29    33    62    56   0.20200  1.0 3.0
   29    33    62    65   0.44750  1.0 1.0
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   67    62    65    75   0.20000  1.0 3.0
   90    85    44    37   0.56750  1.0 1.0
   90    85    44    37  -0.07550 -1.0 2.0
   90    85    44    37   0.20000  1.0 3.0
   90    85    44    45   0.15000  1.0 3.0
   90    85    44    51   0.56750  1.0 1.0
   90    85    44    51  -0.07550 -1.0 2.0
   90    85    44    51   0.20000  1.0 3.0
   78    63    71    72   0.23400  1.0 3.0
   78    63    71    73   0.23400  1.0 3.0
   78    63    71    80   0.86500  1.0 1.0
   78    63    71    80  -0.17500 -1.0 2.0
   78    63    71    80   0.20800  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
   65    83    74    95   1.10000 -1.0 2.0
   74    84    83    86   1.10000 -1.0 2.0
   88    87    86    83   1.10000 -1.0 2.0
   86    94    88    89  10.50000 -1.0 2.0
   94    96    95    74   1.10000 -1.0 2.0
END
