* LIGAND DATABASE FILE (OPLS2005)
*
001      81    81    146    217     425
    1     0 S   NP   _N1_     1    30.16551    89.71398   -23.87580
    2     1 S   H    _HN1     2     1.02793    13.31635    45.83162
    3     1 S   H    _H1_     3     1.02756    97.56603   -96.46468
    4     1 S   H    _H2_     4     1.03272   119.06382    18.90562
    5     1 S   CT   _CA1     5     1.50176   108.87216   146.92464
    6     5 S   HC   _HA1     6     1.09566   105.33155    47.21171
    7     5 S   CO3  _C1_     7     1.53852   112.27111   -73.04836
    8     7 S   O2Z  _O11     8     1.26344   115.17872   -45.90423
    9     7 S   O2Z  _O12     9     1.26270   114.84602   133.14880
   10     5 S   CT   _CB1    10     1.52901   107.11027   165.02605
   11    10 S   HC   HB11    11     1.09829   109.47530   -51.04775
   12    10 S   HC   HB12    12     1.09614   109.87308    65.15372
   13    10 S   CT   _CG1    13     1.53031   113.44490  -172.68603
   14    13 S   HC   HG11    14     1.09559   110.39530   -56.60968
   15    13 S   HC   HG12    15     1.09572   110.43411    62.94011
   16    13 S   C    _CD1    16     1.51799   111.22123  -176.93158
   17    16 S   O    _OE1    17     1.22798   122.89115   -18.11736
   18    16 S   N    _N2_    18     1.38590   112.23460   162.14977
   19    18 S   H    _HN2    19     1.01552   119.31610     5.09193
   20    18 S   CT1  _CA2    20     1.46138   122.94572  -174.33237
   21    20 S   HC   _HA2    21     1.09569   109.05224     1.34901
   22    20 S   C    _C2_    22     1.53428   109.47753  -113.97897
   23    22 S   O    _O2_    23     1.23081   122.17113  -149.71910
   24    20 S   CT   _CB2    32     1.53688   111.88377   122.96062
   25    24 S   HC   HB21    33     1.09674   109.31432    73.55232
   26    24 S   HC   HB22    34     1.09556   110.64479  -169.80522
   27    22 S   N    _N3_    24     1.38319   113.81823    37.63488
   28    27 S   H    _HN3    25     1.01605   119.54172    -3.26045
   29    24 S   S    _SG2    35     1.83168   115.53043   -45.31798
   30    27 S   CT   _CA3    26     1.45281   123.02732   176.86156
   31    30 S   HC   HA31    27     1.09556   107.49124   -64.14649
   32    30 S   HC   HA32    28     1.09562   107.96186    52.22518
   33    29 S   CT   _C19    36     1.83975   101.02079   -64.37811
   34    33 S   HC   _H3_    37     1.09213   108.59444    35.31635
   35    30 S   CO3  _C3_    29     1.52911   114.24542   174.23333
   36    35 S   O2Z  _O31    30     1.26350   116.11079    -1.30716
   37    35 S   O2Z  _O32    31     1.26443   114.39027   178.77699
   38    33 S   CM   _C6_    38     1.51171   107.29565   152.84641
   39    38 S   HC   _H24    39     1.08749   116.66105    61.03416
   40    33 S   CM   _C8_    66     1.51198   108.96315   -86.46459
   41    40 S   HC   _H26    67     1.08715   113.99387   -60.55432
   42    38 S   CM   _C5_    40     1.34449   122.99875  -117.55835
   43    42 S   HC   _H23    41     1.08962   117.32185    -1.68435
   44    40 S   CMA  _C10    68     1.35763   125.36134   118.69640
   45    44 S   OM   _O19    69     1.26174   127.53301    -0.40878
   46    42 S   CM   _C9_    42     1.46430   127.07941   176.97897
   47    44 S   N    _N18    70     1.41426   118.97204   179.53438
   48    46 S   CM   _C7_    43     1.35025   118.32795  -179.34778
   49    48 S   HC   _H25    44     1.09120   118.03440    -0.49889
   50    46 S   CT   _C14    62     1.50561   117.42452    -0.36316
   51    50 S   HC   _H33    63     1.09569   110.45888    62.15369
   52    50 S   HC   _H34    64     1.09584   110.55047   -58.25632
   53    50 S   HC   _H35    65     1.09118   113.74182  -177.85570
   54    47 S   C    _C4_    71     1.42523   127.23802   170.06692
   55    54 S   O    _O20    72     1.22411   130.40258     0.82353
   56    48 S   CT   _C20    45     1.50357   128.81124   179.12040
   57    56 S   HC   _H46    46     1.09095   112.78216    -4.88166
   58    54 S   CT   _C11    73     1.51129   107.52720  -176.04492
   59    58 S   HC   _H27    74     1.09462   108.71848    97.19989
   60    58 S   HC   _H28    75     1.09279   111.01975  -141.68019
   61    56 S   CT   _C18    47     1.53650   112.35422   120.20546
   62    61 S   HC   _H43    48     1.09814   108.97387   173.77244
   63    61 S   HC   _H44    49     1.09876   109.12119    59.83355
   64    56 S   OH   _O21    60     1.43273   106.87781  -121.36300
   65    64 S   HO   _H47    61     0.97311   106.94284   177.52836
   66    58 S   CT   _C12    76     1.51137   103.29423   -21.58922
   67    66 S   HC   _H29    77     1.09344   113.15260   155.05022
   68    66 S   HC   _H30    78     1.09724   109.65462   -84.31303
   69    61 S   CT   _C17    50     1.53190   115.48394   -62.85579
   70    69 S   HC   _H41    51     1.09743   107.96110   174.44670
   71    69 S   HC   _H42    52     1.09616   110.27448    58.69508
   72    47 S   CT   _C13    79     1.45623   123.14336    -6.82895
   73    72 S   HC   _H31    80     1.09583   108.55957    78.14752
   74    72 S   HC   _H32    81     1.09444   111.81893   -43.90461
   75    69 S   CT   _C16    53     1.52874   113.24584   -64.98410
   76    75 S   HC   _H39    54     1.09608   109.84911   -55.49922
   77    75 S   HC   _H40    55     1.09419   110.50637    62.68222
   78    75 S   CT   _C15    56     1.52102   111.35988  -176.53417
   79    78 S   HC   _H36    57     1.09472   110.96592   -60.27719
   80    78 S   HC   _H37    58     1.09451   110.25034  -180.00000
   81    78 S   HC   _H38    59     1.09466   111.03429    60.27287
  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
  11   6   2   1   1   9   4   7   3   9   3   9   3  10  11  13
   5   4   2   1   1  10   5  10   6   8   5   4  11   6   5   2
   1   5   4   3   9   5   4   2   1   1   6   5   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    42    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    47  
   38    39    42    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    48    50    40    41    44  
   42    43    46    40  
   41    44    45    47    54    72    42  
   44    45    47  
   43    46    48    49    56    50    51    52    53  
   46    48    50  
   45    47    54    55    58    66    72    73    74  
   47    54    72  
   48    49    56    57    61    64    50    51    52    53  
   54    55    58    59    60    66    67    68    72    73    74  
   49    56    57    61    62    63    69    64    65    50    51    52    53  
   56    57    61    64    50  
   51    52    53    56  
   52    53  
   53  
    0  
   55    58    59    60    66    67    68    72    73    74  
   58    59    60    66    72  
   57    61    62    63    69    70    71    75    64    65  
   61    62    63    69    64    65  
   59    60    66    67    68    72    73    74  
   60    66    67    68    72  
   66    67    68    72  
   62    63    69    70    71    75    76    77    78    64    65  
   63    69    70    71    75    64  
   69    70    71    75    64  
   65    69  
    0  
   67    68    72    73    74  
   68    72    73    74  
   72    73    74  
   70    71    75    76    77    78    79    80    81  
   71    75    76    77    78  
   75    76    77    78  
   73    74  
   74  
    0  
   76    77    78    79    80    81  
   77    78    79    80    81  
   78    79    80    81  
   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.2500   0.1700  -0.592500   1.8100   1.6000   0.054801302  -1.445846770
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   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    42   549.000  1.340
   42    43   340.000  1.080
   42    46   380.000  1.444
   46    48   549.000  1.340
   46    50   317.000  1.510
   48    49   340.000  1.080
   48    56   317.000  1.510
   56    57   340.000  1.090
   56    61   268.000  1.529
   56    64   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   64    65   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   40    41   340.000  1.080
   40    44   465.000  1.376
   44    45   745.000  1.250
   44    47   400.000  1.384
   47    54   490.000  1.335
   47    72   337.000  1.449
   54    55   570.000  1.229
   54    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   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    42    70.00000  124.00000
   33    40    41    35.00000  117.00000
   33    40    44    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    46    48    70.00000  123.01800
   42    46    50    70.00000  124.00000
   46    42    43    35.00000  120.00000
   46    48    49    35.00000  120.00000
   46    48    56    70.00000  124.00000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   48    56    57    35.00000  109.50000
   48    56    61    70.00000  112.02700
   48    56    64    90.00000  110.39200
   56    48    49    35.00000  117.00000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    69    58.35000  112.70000
   56    64    65    55.00000  108.50000
   61    56    57    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    75    58.35000  112.70000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   64    56    57    35.00000  109.50000
   64    56    61    50.00000  109.50000
   50    46    48    70.00000  124.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    65.00000  137.10300
   40    44    47    75.00000  120.83300
   44    40    41    40.00000  120.50800
   44    47    54    70.00000  120.89900
   44    47    72    70.00000  119.94800
   47    44    45   110.00000  107.01400
   47    54    55    80.00000  122.90000
   47    54    58    70.00000  116.60000
   47    72    66    70.00000  110.72300
   47    72    73    35.00000  109.50000
   47    72    74    35.00000  109.50000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    66    63.00000  111.10000
   58    54    55    80.00000  120.40000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    72    58.35000  112.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   68    66    67    33.00000  107.80000
   72    47    54    50.00000  121.90000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   74    72    73    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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   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
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    47   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   38    33    40    41   0.00000  1.0 1.0
   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    42    46    48   0.28850  1.0 1.0
   38    42    46    48   2.61350 -1.0 2.0
   38    42    46    48   0.78400  1.0 3.0
   38    42    46    50  -0.18600  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    48    49   7.00000 -1.0 2.0
   42    46    48    56   7.00000 -1.0 2.0
   42    46    50    51   0.00000  1.0 1.0
   42    46    50    52   0.00000  1.0 1.0
   42    46    50    53   0.00000  1.0 1.0
   43    42    46    48  -0.18600  1.0 3.0
   43    42    46    50   0.00000  1.0 1.0
   46    48    56    57   0.00000  1.0 1.0
   46    48    56    61   0.09850  1.0 1.0
   46    48    56    61   0.15250 -1.0 2.0
   46    48    56    61  -0.50650  1.0 3.0
   46    48    56    64   0.67800  1.0 1.0
   46    48    56    64   0.47050 -1.0 2.0
   46    48    56    64  -0.62500  1.0 3.0
   48    46    50    51   0.00000  1.0 1.0
   48    46    50    52   0.00000  1.0 1.0
   48    46    50    53   0.00000  1.0 1.0
   48    56    61    62   0.15000  1.0 3.0
   48    56    61    63   0.15000  1.0 3.0
   48    56    61    69   0.34400  1.0 1.0
   48    56    61    69   0.09450 -1.0 2.0
   48    56    61    69   0.11100  1.0 3.0
   48    56    64    65  -0.07800  1.0 1.0
   48    56    64    65  -0.21500 -1.0 2.0
   48    56    64    65  -0.03150  1.0 3.0
   49    48    56    57   0.33100  1.0 3.0
   49    48    56    61   0.00000  1.0 1.0
   49    48    56    64   0.00000  1.0 1.0
   56    61    69    70   0.15000  1.0 3.0
   56    61    69    71   0.15000  1.0 3.0
   56    61    69    75   0.56750  1.0 1.0
   56    61    69    75  -0.07550 -1.0 2.0
   56    61    69    75   0.20000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    69   0.15000  1.0 3.0
   57    56    64    65   0.19450  1.0 3.0
   61    56    64    65  -0.11600  1.0 1.0
   61    56    64    65  -0.09450 -1.0 2.0
   61    56    64    65   0.21250  1.0 3.0
   61    69    75    76   0.15000  1.0 3.0
   61    69    75    77   0.15000  1.0 3.0
   61    69    75    78   0.56750  1.0 1.0
   61    69    75    78  -0.07550 -1.0 2.0
   61    69    75    78   0.20000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    75   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    71   0.15000  1.0 3.0
   63    61    69    75   0.15000  1.0 3.0
   69    75    78    79   0.15000  1.0 3.0
   69    75    78    80   0.15000  1.0 3.0
   69    75    78    81   0.15000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    78   0.15000  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   64    56    61    62   0.23400  1.0 3.0
   64    56    61    63   0.23400  1.0 3.0
   64    56    61    69   0.86500  1.0 1.0
   64    56    61    69  -0.17500 -1.0 2.0
   64    56    61    69   0.20800  1.0 3.0
   50    46    48    49   7.00000 -1.0 2.0
   50    46    48    56   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   40    44    47    54  -0.18900  1.0 1.0
   40    44    47    54   1.70900 -1.0 2.0
   40    44    47    72  -0.88150  1.0 1.0
   40    44    47    72   2.95600 -1.0 2.0
   41    40    44    45   7.00000 -1.0 2.0
   41    40    44    47   7.00000 -1.0 2.0
   44    47    54    55   2.67200 -1.0 2.0
   44    47    54    58   0.67100  1.0 1.0
   44    47    54    58   1.42150 -1.0 2.0
   44    47    54    58   0.18700  1.0 3.0
   44    47    72    66  -0.05900 -1.0 2.0
   44    47    72    73   0.00000  1.0 1.0
   44    47    72    74   0.00000  1.0 1.0
   45    44    47    54  -0.56400  1.0 1.0
   45    44    47    54   0.77500 -1.0 2.0
   45    44    47    54   0.18700  1.0 3.0
   45    44    47    72   1.00000 -1.0 2.0
   47    54    58    59   0.00000  1.0 1.0
   47    54    58    60   0.00000  1.0 1.0
   47    54   -58    66   1.39750  1.0 1.0
   47    54   -58    66  -0.07950 -1.0 2.0
   47    54   -58    66  -0.18750  1.0 3.0
   54    47   -72    66  -0.43950  1.0 1.0
   54    47   -72    66  -0.08100 -1.0 2.0
   54    47   -72    66   0.03350  1.0 3.0
   54    47    72    73   0.00000  1.0 1.0
   54    47    72    74   0.00000  1.0 1.0
   54    58    66    67  -0.11250  1.0 3.0
   54    58    66    68  -0.11250  1.0 3.0
   54    58   -66    72  -0.95700  1.0 1.0
   54    58   -66    72  -0.18200 -1.0 2.0
   54    58   -66    72   0.29450  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    66   0.30150 -1.0 2.0
   58    66   -72    47   0.43900  1.0 1.0
   58    66   -72    47   0.49100 -1.0 2.0
   58    66   -72    47   0.28400  1.0 3.0
   58    66    72    73   0.15000  1.0 3.0
   58    66    72    74   0.15000  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    72   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    68   0.15000  1.0 3.0
   60    58    66    72   0.15000  1.0 3.0
   67    66    72    47   0.15000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   68    66    72    47   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   72    47    54    55   3.04450 -1.0 2.0
   72    47   -54    58   1.49850  1.0 1.0
   72    47   -54    58   1.53950 -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    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   42    50    46    48  15.00000 -1.0 2.0
   56    49    48    46  15.00000 -1.0 2.0
   33    41    40    44  15.00000 -1.0 2.0
   47    45    44    40  15.00000 -1.0 2.0
   72    54    47    44   1.00000 -1.0 2.0
   47    58    54    55  10.50000 -1.0 2.0
END
