* LIGAND DATABASE FILE (OPLS2005)
*
001      89    88    148    215     426
    1     0 S   NP   _N1_     1    29.35272    94.13288   -22.74664
    2     1 S   H    _HN1     2     1.02829    19.17264   150.70135
    3     1 S   H    _H1_     3     1.02780   103.45166  -103.35925
    4     1 S   H    _H2_     4     1.02952    91.50528     5.93518
    5     1 S   CT   _CA1     5     1.50090   128.16764   123.57470
    6     5 S   HC   _HA1     6     1.09577   105.22313    68.29225
    7     5 S   CO3  _C1_     7     1.53836   112.57523   -51.90300
    8     7 S   O2Z  _O11     8     1.26368   114.99618   -40.62161
    9     7 S   O2Z  _O12     9     1.26259   114.96002   138.69691
   10     5 S   CT   _CB1    10     1.53119   107.44737  -173.73108
   11    10 S   HC   HB11    11     1.09815   109.41524   -50.56307
   12    10 S   HC   HB12    12     1.09812   110.44588    66.12125
   13    10 S   CT   _CG1    13     1.52882   112.43386  -171.62787
   14    13 S   HC   HG11    14     1.09564   110.34081   -64.03828
   15    13 S   HC   HG12    15     1.09617   109.83436    55.16547
   16    13 S   C    _CD1    16     1.51692   112.69986   175.51948
   17    16 S   O    _OE1    17     1.22693   123.39056    -2.56292
   18    16 S   N    _N2_    18     1.38598   111.36999   177.71732
   19    18 S   H    _HN2    19     1.01553   118.99908     1.56798
   20    18 S   CT1  _CA2    20     1.46189   123.66576   179.47288
   21    20 S   HC   _HA2    21     1.09719   109.44258    -1.87576
   22    20 S   C    _C2_    22     1.53333   108.41935  -117.49179
   23    22 S   O    _O2_    23     1.22966   122.26167  -149.75513
   24    20 S   CT   _CB2    32     1.53404   111.08262   120.18192
   25    24 S   HC   HB21    33     1.09576   109.59823    55.39406
   26    24 S   HC   HB22    34     1.09486   110.91644   174.79711
   27    22 S   N    _N3_    24     1.38263   113.88939    37.63468
   28    27 S   H    _HN3    25     1.01601   119.52334    -2.74531
   29    24 S   S    _SG2    35     1.82727   110.95898   -65.12260
   30    27 S   CT   _CA3    26     1.45284   123.10188   178.30626
   31    30 S   HC   HA31    27     1.09537   107.47157   -67.82462
   32    30 S   HC   HA32    28     1.09576   108.03020    48.65200
   33    29 S   CT   _C27    36     1.84138    99.81077   167.41795
   34    33 S   HC   _H3_    37     1.09589   106.97873   -12.60123
   35    30 S   CO3  _C3_    29     1.52941   114.09701   170.73147
   36    35 S   O2Z  _O31    30     1.26372   116.06834     3.04009
   37    35 S   O2Z  _O32    31     1.26427   114.41870  -176.87482
   38    33 S   CM   _C16    38     1.50896   109.20024   105.45193
   39    38 S   HC   _H40    39     1.08957   117.09300    53.17995
   40    33 S   CM   _C22    43     1.53104   108.73691  -130.25978
   41    38 S   CMA  _C17    40     1.34824   125.62075  -126.88462
   42    41 S   OM   _O25    41     1.25865   133.08060    -0.36691
   43    41 S   HC   _H41    42     1.09238   111.38221   179.89913
   44    40 S   CM   _C15    44     1.35083   118.24458   106.79069
   45    44 S   HC   _H39    45     1.08846   117.04945     0.81301
   46    40 S   CT   _C26    86     1.51078   117.40601   -73.13314
   47    46 S   HC   _H52    87     1.09480   110.24033   -72.07999
   48    46 S   HC   _H53    88     1.09208   113.48106   167.38008
   49    46 S   HC   _H54    89     1.09440   111.11942    47.98216
   50    44 S   CM   _C7_    46     1.44956   127.99921  -179.23792
   51    50 S   HC   _H31    47     1.08575   117.48387    -3.59701
   52    50 S   CM   _C10    48     1.34478   126.12950   177.57094
   53    52 S   HC   _H34    49     1.08886   117.90579   177.03681
   54    52 S   CM   _C20    50     1.45532   127.39133     0.24549
   55    54 S   CM   _C13    51     1.34808   125.31487   -65.81783
   56    55 S   HC   _H37    52     1.08770   117.56387   178.06164
   57    54 S   CT   _C24    82     1.50551   113.69786   113.95758
   58    57 S   HC   _H46    83     1.09559   110.61641    60.51105
   59    57 S   HC   _H47    84     1.09546   112.16729  -179.57572
   60    57 S   HC   _H48    85     1.09566   110.57228   -59.70801
   61    55 S   CM   _C5_    53     1.45114   126.63617    -4.23998
   62    61 S   HC   _H29    54     1.08880   116.16276   -18.61424
   63    61 S   CM   _C4_    55     1.34407   127.08101   162.80273
   64    63 S   HC   _H28    56     1.08639   116.18249   178.00002
   65    63 S   CM   _C12    57     1.44935   126.69229    -5.14765
   66    65 S   HC   _H36    58     1.08821   115.13143    -4.63979
   67    65 S   CM   _C19    59     1.34885   127.33944   177.30296
   68    67 S   CM   _C9_    60     1.46103   120.66281   178.49572
   69    68 S   HC   _H33    61     1.08976   114.31060   126.95787
   70    67 S   CT   _C23    78     1.50486   125.83033    -5.74276
   71    70 S   HC   _H43    79     1.09610   110.70613  -125.33789
   72    70 S   HC   _H44    80     1.09208   113.42975    -5.81588
   73    70 S   HC   _H45    81     1.09340   110.25291   115.03760
   74    68 S   CM   _C6_    62     1.34449   128.49194   -52.43364
   75    74 S   HC   _H30    63     1.08755   116.64734   177.94424
   76    74 S   CM   _C14    64     1.44928   126.89100    -4.03900
   77    76 S   HC   _H38    65     1.08885   115.44031   -20.03503
   78    76 S   CM   _C21    66     1.34741   126.29621   160.43677
   79    78 S   CM   _C11    67     1.45469   119.82426   179.08443
   80    79 S   HC   _H35    68     1.08884   114.86467    95.44637
   81    78 S   CT   _C25    74     1.50386   126.25170    -3.44606
   82    81 S   HC   _H49    75     1.09617   110.54446  -127.78251
   83    81 S   HC   _H50    76     1.09543   110.36686   112.50478
   84    81 S   HC   _H51    77     1.09307   113.19637    -8.32162
   85    79 S   CM   _C8_    69     1.33979   127.04813   -86.52105
   86    85 S   HC   _H32    70     1.08545   120.03396  -179.20475
   87    85 S   CO4  _C18    71     1.47756   123.83507    -1.13884
   88    87 S   O    _O26    72     1.22579   121.66209  -176.59107
   89    87 S   HC   _H42    73     1.10122   116.78519     2.79617
  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   8   5   4   3
  14   6   2   1   1   7   4  10   2   1   1  10   4   4   2   1
   1   6   3   9   3   9  10   4   4   2   1   1   6   3   6   3
   9   3   9  10   4   4   2   1   1   6   3   9   3   9  10   4
   4   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    41    40    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    40    44    45    50    46    47    48    49  
   38    39    41    40    44    46  
   36    37  
   37  
    0  
   39    41    42    43    40    44    46  
   41    42    43    40  
   44    45    50    51    52    46    47    48    49    41  
   42    43  
   43  
    0  
   45    50    51    52    53    54    46    47    48    49  
   50    51    52    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    57  
   52    53    54  
   53    54    55    56    61    57    58    59    60  
   54    55    57  
   55    56    61    62    63    57    58    59    60  
   56    61    62    63    64    65    57    58    59    60  
   61    62    63    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65  
   64    65    66    67    68    70  
   65    66    67  
   66    67    68    69    74    70    71    72    73  
   67    68    70  
   68    69    74    75    76    70    71    72    73  
   69    74    75    76    77    78    70    71    72    73  
   74    75    76    70  
   71    72    73    74  
   72    73  
   73  
    0  
   75    76    77    78    79    81  
   76    77    78  
   77    78    79    80    85    81    82    83    84  
   78    79    81  
   79    80    85    86    87    81    82    83    84  
   80    85    86    87    88    89    81    82    83    84  
   85    86    87    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88    89  
   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   89   2.4200   0.0150   0.000000   1.3810   1.2100   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   317.000  1.510
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    43   335.000  1.111
   40    44   549.000  1.340
   40    46   317.000  1.510
   44    45   340.000  1.080
   44    50   380.000  1.444
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   340.000  1.080
   52    54   380.000  1.444
   54    55   549.000  1.340
   54    57   317.000  1.510
   55    56   340.000  1.080
   55    61   380.000  1.444
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   340.000  1.080
   63    65   380.000  1.444
   65    66   340.000  1.080
   65    67   549.000  1.340
   67    68   380.000  1.444
   67    70   317.000  1.510
   68    69   340.000  1.080
   68    74   549.000  1.340
   74    75   340.000  1.080
   74    76   380.000  1.444
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   380.000  1.444
   78    81   317.000  1.510
   79    80   340.000  1.080
   79    85   549.000  1.340
   85    86   340.000  1.080
   85    87   320.000  1.462
   87    88   570.000  1.229
   87    89   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    44    70.00000  124.00000
   33    40    46    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    43    45.00000  105.30000
   41    38    39    40.00000  120.50800
   43    41    42    50.00000  124.16400
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    35.00000  120.00000
   40    44    50    70.00000  123.01800
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   44    50    51    35.00000  120.00000
   44    50    52    70.00000  123.01800
   50    44    45    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    70.00000  123.01800
   52    50    51    35.00000  120.00000
   52    54    55    70.00000  123.01800
   52    54    57    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    61    70.00000  123.01800
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   55    61    62    35.00000  120.00000
   55    61    63    70.00000  123.01800
   61    55    56    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    70.00000  123.01800
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  123.01800
   65    63    64    35.00000  120.00000
   65    67    68    70.00000  123.01800
   65    67    70    70.00000  124.00000
   67    65    66    35.00000  120.00000
   67    68    69    35.00000  120.00000
   67    68    74    70.00000  123.01800
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   68    74    75    35.00000  120.00000
   68    74    76    70.00000  123.01800
   74    68    69    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    70.00000  123.01800
   76    74    75    35.00000  120.00000
   76    78    79    70.00000  123.01800
   76    78    81    70.00000  124.00000
   78    76    77    35.00000  120.00000
   78    79    80    35.00000  120.00000
   78    79    85    70.00000  123.01800
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   79    85    86    35.00000  120.00000
   79    85    87    65.00000  118.96000
   85    79    80    35.00000  120.00000
   85    87    88    80.00000  123.72100
   85    87    89    40.00000  115.75000
   87    85    86    40.00000  117.72500
   89    87    88    35.00000  123.00000
   81    78    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   70    67    68    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   57    54    55    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   46    40    44    70.00000  124.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   29    33    40    46   0.30250  1.0 1.0
   29    33    40    46  -0.14950 -1.0 2.0
   29    33    40    46   0.36900  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    50   7.00000 -1.0 2.0
   33    40    46    47   0.34800  1.0 3.0
   33    40    46    48   0.34800  1.0 3.0
   33    40    46    49   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   34    33    40    46   0.34800  1.0 3.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    33    40    46   0.09700  1.0 1.0
   38    33    40    46   0.15600 -1.0 2.0
   38    33    40    46  -0.50800  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   40    44    50    51  -0.18600  1.0 3.0
   40    44    50    52   0.28850  1.0 1.0
   40    44    50    52   2.61350 -1.0 2.0
   40    44    50    52   0.78400  1.0 3.0
   44    40    46    47   0.00000  1.0 1.0
   44    40    46    48   0.00000  1.0 1.0
   44    40    46    49   0.00000  1.0 1.0
   44    50    52    53   7.00000 -1.0 2.0
   44    50    52    54   7.00000 -1.0 2.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52  -0.18600  1.0 3.0
   50    52    54    55   0.28850  1.0 1.0
   50    52    54    55   2.61350 -1.0 2.0
   50    52    54    55   0.78400  1.0 3.0
   50    52    54    57  -0.18600  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    54   7.00000 -1.0 2.0
   52    54    55    56   7.00000 -1.0 2.0
   52    54    55    61   7.00000 -1.0 2.0
   52    54    57    58   0.00000  1.0 1.0
   52    54    57    59   0.00000  1.0 1.0
   52    54    57    60   0.00000  1.0 1.0
   53    52    54    55  -0.18600  1.0 3.0
   53    52    54    57   0.00000  1.0 1.0
   54    55    61    62  -0.18600  1.0 3.0
   54    55    61    63   0.28850  1.0 1.0
   54    55    61    63   2.61350 -1.0 2.0
   54    55    61    63   0.78400  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    60   0.00000  1.0 1.0
   55    61    63    64   7.00000 -1.0 2.0
   55    61    63    65   7.00000 -1.0 2.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    63  -0.18600  1.0 3.0
   61    63    65    66  -0.18600  1.0 3.0
   61    63    65    67   0.28850  1.0 1.0
   61    63    65    67   2.61350 -1.0 2.0
   61    63    65    67   0.78400  1.0 3.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    65   7.00000 -1.0 2.0
   63    65    67    68   7.00000 -1.0 2.0
   63    65    67    70   7.00000 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67  -0.18600  1.0 3.0
   65    67    68    69  -0.18600  1.0 3.0
   65    67    68    74   0.28850  1.0 1.0
   65    67    68    74   2.61350 -1.0 2.0
   65    67    68    74   0.78400  1.0 3.0
   65    67    70    71   0.00000  1.0 1.0
   65    67    70    72   0.00000  1.0 1.0
   65    67    70    73   0.00000  1.0 1.0
   66    65    67    68   7.00000 -1.0 2.0
   66    65    67    70   7.00000 -1.0 2.0
   67    68    74    75   7.00000 -1.0 2.0
   67    68    74    76   7.00000 -1.0 2.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   68    67    70    73   0.00000  1.0 1.0
   68    74    76    77  -0.18600  1.0 3.0
   68    74    76    78   0.28850  1.0 1.0
   68    74    76    78   2.61350 -1.0 2.0
   68    74    76    78   0.78400  1.0 3.0
   69    68    74    75   7.00000 -1.0 2.0
   69    68    74    76   7.00000 -1.0 2.0
   74    76    78    79   7.00000 -1.0 2.0
   74    76    78    81   7.00000 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78  -0.18600  1.0 3.0
   76    78    79    80  -0.18600  1.0 3.0
   76    78    79    85   0.28850  1.0 1.0
   76    78    79    85   2.61350 -1.0 2.0
   76    78    79    85   0.78400  1.0 3.0
   76    78    81    82   0.00000  1.0 1.0
   76    78    81    83   0.00000  1.0 1.0
   76    78    81    84   0.00000  1.0 1.0
   77    76    78    79   7.00000 -1.0 2.0
   77    76    78    81   7.00000 -1.0 2.0
   78    79    85    86   7.00000 -1.0 2.0
   78    79    85    87   7.00000 -1.0 2.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   79    78    81    84   0.00000  1.0 1.0
   79    85    87    88   1.00000 -1.0 2.0
   79    85    87    89  -0.79650  1.0 1.0
   79    85    87    89   1.60950 -1.0 2.0
   79    85    87    89  -0.26250  1.0 3.0
   80    79    85    86   7.00000 -1.0 2.0
   80    79    85    87   7.00000 -1.0 2.0
   86    85    87    88   0.00000  1.0 1.0
   86    85    87    89   0.93100 -1.0 2.0
   81    78    79    80   0.00000  1.0 1.0
   81    78    79    85  -0.18600  1.0 3.0
   70    67    68    69   0.00000  1.0 1.0
   70    67    68    74  -0.18600  1.0 3.0
   57    54    55    56   7.00000 -1.0 2.0
   57    54    55    61   7.00000 -1.0 2.0
   46    40    44    45   7.00000 -1.0 2.0
   46    40    44    50   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   42    43    41    38  15.00000 -1.0 2.0
   33    46    40    44  15.00000 -1.0 2.0
   50    45    44    40  15.00000 -1.0 2.0
   44    51    50    52  15.00000 -1.0 2.0
   54    53    52    50  15.00000 -1.0 2.0
   52    57    54    55  15.00000 -1.0 2.0
   61    56    55    54  15.00000 -1.0 2.0
   55    62    61    63  15.00000 -1.0 2.0
   65    64    63    61  15.00000 -1.0 2.0
   63    66    65    67  15.00000 -1.0 2.0
   68    70    67    65  15.00000 -1.0 2.0
   67    69    68    74  15.00000 -1.0 2.0
   76    75    74    68  15.00000 -1.0 2.0
   74    77    76    78  15.00000 -1.0 2.0
   79    81    78    76  15.00000 -1.0 2.0
   78    80    79    85  15.00000 -1.0 2.0
   87    86    85    79  15.00000 -1.0 2.0
   85    89    87    88  10.50000 -1.0 2.0
END
