* LIGAND DATABASE FILE (OPLS2005)
*
001      81    80    136    195     390
    1     0 S   NP   _N1_     1    29.47535    93.78344   -24.67882
    2     1 S   H    _HN1     2     1.02956    79.57105    26.12340
    3     1 S   H    _H1_     3     1.02833    27.50225  -155.16368
    4     1 S   H    _H2_     4     1.02783   117.32452   -79.24261
    5     1 S   CT   _CA1     5     1.50113   122.77597   133.76218
    6     5 S   HC   _HA1     6     1.09574   105.21672    87.01560
    7     5 S   CO3  _C1_     7     1.53773   112.43186   -33.21274
    8     7 S   O2Z  _O11     8     1.26364   114.99979   -43.44713
    9     7 S   O2Z  _O12     9     1.26239   114.92999   135.71736
   10     5 S   CT   _CB1    10     1.53081   107.42271  -155.05284
   11    10 S   HC   HB11    11     1.09835   109.32722   -50.52240
   12    10 S   HC   HB12    12     1.09815   110.44117    66.03813
   13    10 S   CT   _CG1    13     1.53009   112.65927  -171.56795
   14    13 S   HC   HG11    14     1.09586   110.57967   -65.29162
   15    13 S   HC   HG12    15     1.09663   109.86328    53.97257
   16    13 S   C    _CD1    16     1.51775   112.21919   174.34653
   17    16 S   O    _OE1    17     1.22727   123.24635     3.87308
   18    16 S   N    _N2_    18     1.38630   111.70996  -176.05141
   19    18 S   H    _HN2    19     1.01576   119.08706     0.97277
   20    18 S   CT1  _CA2    20     1.46120   123.28166   177.72979
   21    20 S   HC   _HA2    21     1.09786   109.30563     0.12667
   22    20 S   C    _C2_    22     1.53458   108.33267  -114.96530
   23    22 S   O    _O2_    23     1.23007   122.56778  -144.87270
   24    20 S   CT   _CB2    32     1.53282   111.90051   121.95186
   25    24 S   HC   HB21    33     1.09541   110.87685    56.45564
   26    24 S   HC   HB22    34     1.09484   109.16289   175.41537
   27    22 S   N    _N3_    24     1.38401   113.38146    42.81280
   28    27 S   H    _HN3    25     1.01598   119.48141    -4.56703
   29    24 S   S    _SG2    35     1.82952   111.21108   -64.48928
   30    27 S   CT   _CA3    26     1.45275   123.23831   177.47609
   31    30 S   HC   HA31    27     1.09526   108.17217   -50.14794
   32    30 S   HC   HA32    28     1.09539   107.46849    66.27367
   33    29 S   CT   _C14    36     1.83971    99.51482  -158.54728
   34    33 S   HC   _H3_    37     1.09321   106.86344    33.31842
   35    30 S   CO3  _C3_    29     1.52914   113.96023  -172.56014
   36    35 S   O2Z  _O31    30     1.26375   115.99367    -8.40254
   37    35 S   O2Z  _O32    31     1.26414   114.44093   171.68162
   38    33 S   CM   _C13    38     1.51377   108.07041   149.41911
   39    38 S   HC   _H15    39     1.08892   116.63392    75.55902
   40    33 S   CM   _C15    74     1.52750   110.66456   -85.59601
   41    38 S   CM   _C12    40     1.34592   127.33282  -104.77773
   42    41 S   HC   _H14    41     1.08899   117.76675  -177.32416
   43    40 S   CMA  _C16    75     1.35649   122.11714   113.37800
   44    43 S   OM   _O33    76     1.25989   133.07809    -0.24147
   45    43 S   HC   _H16    77     1.09199   112.61824   179.72660
   46    40 S   CT   _C17    78     1.51324   118.23487   -66.93645
   47    46 S   HC   _H17    79     1.09410   110.73949   -67.01815
   48    46 S   HC   _H18    80     1.09562   112.23681   173.50982
   49    46 S   HC   _H19    81     1.09383   111.27919    54.00731
   50    41 S   CM   _C10    42     1.45929   127.59183     2.02970
   51    50 S   CM   _C9_    43     1.34768   120.58481    56.48838
   52    51 S   HC   _H10    44     1.08923   118.17203    -0.08623
   53    50 S   CT   _C11    70     1.50392   113.46917  -124.62561
   54    53 S   HC   _H11    71     1.09564   110.42505   -64.10927
   55    53 S   HC   _H12    72     1.09612   110.33483    55.53852
   56    53 S   HC   _H13    73     1.09255   113.40208   175.23030
   57    51 S   CM   _C8_    45     1.44729   127.81320   179.81233
   58    57 S   HC   _H9_    46     1.08500   118.32105   -12.06813
   59    57 S   CM   _C7_    47     1.34304   121.88002   167.88351
   60    59 S   HC   _H8_    48     1.08662   119.17872    -1.60498
   61    59 S   CM   _C6_    49     1.44881   123.26437   179.26087
   62    61 S   HC   _H7_    50     1.08937   115.08193    -3.59434
   63    61 S   CM   _C5_    51     1.34807   126.86636   175.25034
   64    63 S   CM   _C18    52     1.45491   125.43542    -0.58013
   65    64 S   HC   _H20    53     1.08966   114.16417  -113.91900
   66    63 S   CT   _C4_    66     1.50565   120.87082  -177.59401
   67    66 S   HC   _H4_    67     1.09565   110.48918  -121.29229
   68    66 S   HC   _H5_    68     1.09547   112.16738    -1.50376
   69    66 S   HC   _H6_    69     1.09562   110.70545   118.49061
   70    64 S   CM   _C19    54     1.34337   128.32497    68.29086
   71    70 S   HC   _H21    55     1.08657   116.27842   179.18291
   72    70 S   CM   _C20    56     1.44889   126.77307     0.99446
   73    72 S   HC   _H22    57     1.08829   115.17711     5.67934
   74    72 S   CM   _C21    58     1.34514   125.84500  -175.36232
   75    74 S   CO4  _C23    59     1.49053   115.67230  -178.85329
   76    75 S   O    _O34    60     1.22566   123.02956   179.08144
   77    75 S   HC   _H26    61     1.10319   116.10926    -0.69774
   78    74 S   CT   _C22    62     1.49820   128.03528     1.86697
   79    78 S   HC   _H23    63     1.09530   110.40444   130.45025
   80    78 S   HC   _H24    64     1.09483   110.12789  -110.09605
   81    78 S   HC   _H25    65     1.09255   113.32947    10.95488
  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   9   4   8   9   3   6   2   1   3   2   1
   1   9  10   4   4   2   1   1   6   3   6   3   9   3   9  10
   4   4   2   1   1   6   3   9   3   7   6   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    41    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    50    40    43    44    45    46    47    48    49  
   38    39    41    40    43    46  
   36    37  
   37  
    0  
   39    41    42    50    51    53    40    43    46  
   41    42    50    40  
   43    44    45    46    47    48    49    41  
   42    50    51    52    57    53    54    55    56  
   50    51    53  
   44    45    46    47    48    49  
   45    46  
   46  
   47    48    49  
   48    49  
   49  
    0  
   51    52    57    58    59    53    54    55    56  
   52    57    58    59    60    61    53    54    55    56  
   57    58    59    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63  
   59    60    61  
   60    61    62    63    64    66  
   61    62    63  
   62    63    64    65    70    66    67    68    69  
   63    64    66  
   64    65    70    71    72    66    67    68    69  
   65    70    71    72    73    74    66    67    68    69  
   70    71    72    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    75    78  
   72    73    74  
   73    74    75    76    77    78    79    80    81  
   74    75    78  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500  -0.062100   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   77   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   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   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   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    50   380.000  1.444
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   380.000  1.444
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   340.000  1.080
   59    61   380.000  1.444
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   380.000  1.444
   63    66   317.000  1.510
   64    65   340.000  1.080
   64    70   549.000  1.340
   70    71   340.000  1.080
   70    72   380.000  1.444
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   320.000  1.462
   74    78   317.000  1.510
   75    76   570.000  1.229
   75    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   40    43   465.000  1.376
   40    46   317.000  1.510
   43    44   745.000  1.250
   43    45   335.000  1.111
   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    43    70.00000  124.00000
   33    40    46    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    50    70.00000  123.01800
   41    38    39    35.00000  120.00000
   41    50    51    70.00000  123.01800
   41    50    53    70.00000  124.00000
   50    41    42    35.00000  120.00000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  123.01800
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    35.00000  120.00000
   51    57    59    70.00000  123.01800
   57    51    52    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    70.00000  123.01800
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  120.00000
   59    61    63    70.00000  123.01800
   61    59    60    35.00000  120.00000
   61    63    64    70.00000  123.01800
   61    63    66    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    70    70.00000  123.01800
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   64    70    71    35.00000  120.00000
   64    70    72    70.00000  123.01800
   70    64    65    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    70.00000  123.01800
   72    70    71    35.00000  120.00000
   72    74    75    65.00000  118.96000
   72    74    78    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    80.00000  123.72100
   74    75    77    40.00000  115.75000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    35.00000  123.00000
   78    74    75    65.00000  116.34900
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   66    63    64    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    43    44    65.00000  137.10300
   40    43    45    45.00000  105.30000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   45    43    44    50.00000  124.16400
   46    40    43    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    43   0.42700  1.0 1.0
   29    33    40    43  -0.70350 -1.0 2.0
   29    33    40    43  -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    50   7.00000 -1.0 2.0
   33    40    43    44   7.00000 -1.0 2.0
   33    40    43    45   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    43   0.00000  1.0 1.0
   34    33    40    46   0.34800  1.0 3.0
   38    33    40    43  -0.28300  1.0 1.0
   38    33    40    43   0.26700 -1.0 2.0
   38    33    40    43  -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
   38    41    50    51   0.28850  1.0 1.0
   38    41    50    51   2.61350 -1.0 2.0
   38    41    50    51   0.78400  1.0 3.0
   38    41    50    53  -0.18600  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    50   7.00000 -1.0 2.0
   41    50    51    52   7.00000 -1.0 2.0
   41    50    51    57   7.00000 -1.0 2.0
   41    50    53    54   0.00000  1.0 1.0
   41    50    53    55   0.00000  1.0 1.0
   41    50    53    56   0.00000  1.0 1.0
   42    41    50    51  -0.18600  1.0 3.0
   42    41    50    53   0.00000  1.0 1.0
   50    51    57    58  -0.18600  1.0 3.0
   50    51    57    59   0.28850  1.0 1.0
   50    51    57    59   2.61350 -1.0 2.0
   50    51    57    59   0.78400  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57    59    60   7.00000 -1.0 2.0
   51    57    59    61   7.00000 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59  -0.18600  1.0 3.0
   57    59    61    62  -0.18600  1.0 3.0
   57    59    61    63   0.28850  1.0 1.0
   57    59    61    63   2.61350 -1.0 2.0
   57    59    61    63   0.78400  1.0 3.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    61   7.00000 -1.0 2.0
   59    61    63    64   7.00000 -1.0 2.0
   59    61    63    66   7.00000 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63  -0.18600  1.0 3.0
   61    63    64    65  -0.18600  1.0 3.0
   61    63    64    70   0.28850  1.0 1.0
   61    63    64    70   2.61350 -1.0 2.0
   61    63    64    70   0.78400  1.0 3.0
   61    63    66    67   0.00000  1.0 1.0
   61    63    66    68   0.00000  1.0 1.0
   61    63    66    69   0.00000  1.0 1.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    66   7.00000 -1.0 2.0
   63    64    70    71   7.00000 -1.0 2.0
   63    64    70    72   7.00000 -1.0 2.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    69   0.00000  1.0 1.0
   64    70    72    73  -0.18600  1.0 3.0
   64    70    72    74   0.28850  1.0 1.0
   64    70    72    74   2.61350 -1.0 2.0
   64    70    72    74   0.78400  1.0 3.0
   65    64    70    71   7.00000 -1.0 2.0
   65    64    70    72   7.00000 -1.0 2.0
   70    72    74    75   7.00000 -1.0 2.0
   70    72    74    78   7.00000 -1.0 2.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74  -0.18600  1.0 3.0
   72    74    75    76   1.00000 -1.0 2.0
   72    74    75    77  -0.79650  1.0 1.0
   72    74    75    77   1.60950 -1.0 2.0
   72    74    75    77  -0.26250  1.0 3.0
   72    74    78    79   0.00000  1.0 1.0
   72    74    78    80   0.00000  1.0 1.0
   72    74    78    81   0.00000  1.0 1.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    78   7.00000 -1.0 2.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    80   0.15000  1.0 3.0
   75    74    78    81   0.15000  1.0 3.0
   78    74    75    76  -0.64400  1.0 1.0
   78    74    75    76   0.26850 -1.0 2.0
   78    74    75    77  -0.07900  1.0 1.0
   78    74    75    77   0.77700 -1.0 2.0
   78    74    75    77   0.13200  1.0 3.0
   66    63    64    65   0.00000  1.0 1.0
   66    63    64    70  -0.18600  1.0 3.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   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
   43    40    46    47   0.00000  1.0 1.0
   43    40    46    48   0.00000  1.0 1.0
   43    40    46    49   0.00000  1.0 1.0
   46    40    43    44   7.00000 -1.0 2.0
   46    40    43    45   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   50    42    41    38  15.00000 -1.0 2.0
   41    53    50    51  15.00000 -1.0 2.0
   57    52    51    50  15.00000 -1.0 2.0
   51    58    57    59  15.00000 -1.0 2.0
   61    60    59    57  15.00000 -1.0 2.0
   59    62    61    63  15.00000 -1.0 2.0
   64    66    63    61  15.00000 -1.0 2.0
   63    65    64    70  15.00000 -1.0 2.0
   72    71    70    64  15.00000 -1.0 2.0
   70    73    72    74  15.00000 -1.0 2.0
   75    78    74    72  15.00000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   33    46    40    43  15.00000 -1.0 2.0
   44    45    43    40  15.00000 -1.0 2.0
END
