* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    140    213     413
    1     0 S   NP   _N1_     1    28.74234    94.09555   -19.81847
    2     1 S   H    _HN1     2     1.02804    86.35121   -72.11526
    3     1 S   H    _H1_     3     1.02947    97.57106    35.72459
    4     1 S   H    _H2_     4     1.02853    28.34263   148.26363
    5     1 S   CT   _CA1     5     1.50140   137.95189   168.44797
    6     5 S   HC   _HA1     6     1.09613   105.15464    49.71592
    7     5 S   CO3  _C1_     7     1.53732   111.84118   -69.81730
    8     7 S   O2Z  _O11     8     1.26279   115.27542   -61.20459
    9     7 S   O2Z  _O12     9     1.26252   114.78381   117.51353
   10     5 S   CT   _CB1    10     1.53076   107.30339   166.81849
   11    10 S   HC   HB11    11     1.09822   108.97726   -53.51225
   12    10 S   HC   HB12    12     1.09807   110.71151    62.88965
   13    10 S   CT   _CG1    13     1.53001   112.65160  -174.69522
   14    13 S   HC   HG11    14     1.09545   110.34885   -65.57123
   15    13 S   HC   HG12    15     1.09652   110.06925    53.45061
   16    13 S   C    _CD1    16     1.51893   112.12551   173.22031
   17    16 S   O    _OE1    17     1.22756   123.10796    -9.94791
   18    16 S   N    _N2_    18     1.38509   111.86482   171.43267
   19    18 S   H    _HN2    19     1.01811   118.83146    -0.95203
   20    18 S   CT1  _CA2    20     1.46270   123.49176   177.27495
   21    20 S   HC   _HA2    21     1.09736   109.26312   -14.71153
   22    20 S   C    _C2_    22     1.53550   108.14468  -130.11673
   23    22 S   O    _O2_    23     1.23016   122.29294  -147.19785
   24    20 S   CT   _CB2    32     1.53353   111.73036   107.66121
   25    24 S   HC   HB21    33     1.09449   109.54996    54.94595
   26    24 S   HC   HB22    34     1.09517   110.66979   172.91008
   27    22 S   N    _N3_    24     1.38543   113.41402    40.21934
   28    27 S   H    _HN3    25     1.01551   118.79330    -0.92005
   29    24 S   S    _SG2    35     1.82979   111.86028   -68.24355
   30    27 S   CT   _CA3    26     1.45452   123.61886   175.18924
   31    30 S   HC   HA31    27     1.09511   109.36442    21.44780
   32    30 S   HC   HA32    28     1.09503   107.06892   138.44178
   33    29 S   CT   _C17    36     1.84272    99.95278   143.19070
   34    33 S   HC   _H8_    37     1.09641   105.17290    49.32584
   35    30 S   CO3  _C3_    29     1.52900   113.06002  -102.17267
   36    35 S   O2Z  _O31    30     1.26404   115.37466   -44.74858
   37    35 S   O2Z  _O32    31     1.26347   114.98655   136.19299
   38    33 S   CA   _C7_    38     1.52070   112.15113   -69.38426
   39    33 S   CM   _C18    75     1.51137   108.50863   166.40192
   40    39 S   HC   _H21    76     1.08969   116.95940    57.78591
   41    38 S   CA   _C8_    39     1.40350   121.92483   -56.53220
   42    41 S   HA   _H13    40     1.08730   120.69144    -1.35176
   43    39 S   CMA  _C19    77     1.34833   125.69950  -122.40428
   44    43 S   OM   _O40    78     1.25874   133.07773    -0.14402
   45    43 S   HC   _H22    79     1.09238   111.37698  -179.96574
   46    41 S   CA   _C9_    41     1.39289   120.58743   178.18436
   47    46 S   HA   _H14    42     1.08599   119.27911   179.63523
   48    46 S   CA   _C10    43     1.39567   119.83770    -0.48939
   49    48 S   CA   _C5_    44     1.40077   120.78944     2.99107
   50    48 S   OS   _O34    52     1.37383   120.58251  -179.36204
   51    38 S   CA   _C6_    45     1.40804   119.29601   123.70211
   52    51 S   HA   _H12    46     1.08655   118.11205     1.30296
   53    49 S   OS   _O33    47     1.37091   115.99359   177.94291
   54    50 S   CO   _C11    53     1.44133   111.95571    66.28752
   55    54 S   HC   _H3_    54     1.09728   108.89501   -64.93085
   56    53 S   CT   _C4_    48     1.42182   117.17150   178.43514
   57    56 S   HC   _H9_    49     1.09429   107.74138  -179.58931
   58    56 S   HC   _H10    50     1.09495   111.14433    62.69392
   59    56 S   HC   _H11    51     1.09502   111.15291   -61.87793
   60    54 S   CT   _C12    55     1.53531   107.81323   177.40791
   61    60 S   HC   _H4_    56     1.09577   110.66759    58.06309
   62    60 S   CT   _C13    57     1.53034   109.59588  -179.36173
   63    62 S   HC   _H5_    58     1.09619   108.30934   -68.44634
   64    60 S   OH   _O39    73     1.43091   109.38069   -58.51037
   65    64 S   HO   _H20    74     0.97298   106.78430  -172.79089
   66    62 S   CT   _C14    59     1.53380   112.06431    51.73765
   67    66 S   HC   _H6_    60     1.09589   109.86940  -172.44041
   68    62 S   OH   _O38    71     1.42552   109.67443   174.73634
   69    68 S   HO   _H19    72     0.97293   107.37767   173.37357
   70    66 S   CT   _C15    61     1.53608   110.24623   -50.53926
   71    70 S   HC   _H7_    62     1.09679   110.34345   -65.10228
   72    66 S   OH   _O37    69     1.42890   110.38300    70.57539
   73    72 S   HO   _H18    70     0.97286   107.29425    45.11225
   74    54 S   OS   _O35    63     1.43549   112.54907    56.22847
   75    70 S   CT   _C16    64     1.52860   112.07953   173.22975
   76    75 S   HC   _H15    65     1.09432   111.02963    50.35064
   77    75 S   HC   _H16    66     1.09481   111.45575   -72.23509
   78    75 S   OH   _O36    67     1.42525   109.10070   169.13719
   79    78 S   HO   _H17    68     0.97318   106.84763   178.41181
  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
  13   6   2   1   1  12   6   3   8   4   2   1   1   7   3  10
   9  10   3   1   4  13   6   3   2   1   1  12   7  13   7   4
   1  12   7   3   1   9   6   3   1   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    51    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    49    51    52    39    40    43    44    45  
   38    41    51    39    40    43  
   36    37  
   37  
    0  
   41    42    46    47    48    49    51    52    53    39    40    43  
   40    43    44    45    41    51  
   43    44    45  
   42    46    47    48    49    51    52    50  
   46    47    48    51  
   44    45  
   45  
    0  
   47    48    49    51    53    50    54  
   48    49    50  
   49    51    52    53    56    50    54    55    60    74  
   51    52    53    56    57    58    59    50    54  
   54    55    60    61    62    70    74    64    51    53  
   52    53    56  
   53  
   56    57    58    59  
   55    60    61    62    63    66    70    71    74    75    68    64    65  
   60    61    62    70    74    64  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    66    67    70    74    72    68    69    64    65  
   62    63    66    74    68    64    65  
   63    66    67    70    71    74    75    72    73    68    69    64    65  
   66    67    70    72    68    69    64  
   65    66    68    74  
    0  
   67    70    71    74    75    76    77    78    72    73    68    69  
   70    71    74    75    72    73    68  
   69    70    72  
    0  
   71    74    75    76    77    78    79    72    73  
   74    75    76    77    78    72  
   73    74    75  
    0  
   75    76    77    78  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    39   317.000  1.510
   38    41   469.000  1.400
   38    51   469.000  1.400
   41    42   367.000  1.080
   41    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    50   450.000  1.364
   49    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   50    54   320.000  1.380
   54    55   340.000  1.090
   54    60   250.000  1.527
   54    74   320.000  1.380
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    68   320.000  1.410
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   320.000  1.410
   70    71   340.000  1.090
   70    74   320.000  1.410
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   320.000  1.410
   78    79   553.000  0.945
   72    73   553.000  0.945
   68    69   553.000  0.945
   64    65   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    45   335.000  1.111
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    51    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    46    63.00000  120.00000
   38    51    49    63.00000  120.00000
   38    51    52    35.00000  120.00000
   41    46    47    35.00000  120.00000
   41    46    48    63.00000  120.00000
   46    41    42    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    50    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    51    63.00000  120.00000
   48    49    53    70.00000  120.00000
   48    50    54   100.00000  112.36700
   49    51    52    35.00000  120.00000
   49    53    56    75.00000  111.00000
   51    38    41    63.00000  120.00000
   53    49    51    70.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   50    48    49    70.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    60    90.00000  108.56700
   50    54    74    92.60000  111.55000
   54    60    61    45.00000  108.72000
   54    60    62    75.00000  109.43000
   54    60    64    90.00000  111.58700
   54    74    70    60.00000  109.50000
   60    54    55    45.00000  112.01100
   60    62    63    37.50000  110.70000
   60    62    66    58.35000  112.70000
   60    62    68    50.00000  109.50000
   60    64    65    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    70    58.35000  112.70000
   62    66    72    50.00000  109.50000
   62    68    69    55.00000  108.50000
   66    62    63    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    50.00000  109.50000
   66    70    75    58.35000  112.70000
   66    72    73    55.00000  108.50000
   70    66    67    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    50.00000  109.50000
   74    54    55    35.00000  109.50000
   74    54    60    90.00000  108.56700
   74    70    71    35.00000  109.50000
   75    70    71    37.50000  110.70000
   75    70    74    50.00000  109.50000
   75    78    79    55.00000  108.50000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   72    66    67    35.00000  109.50000
   72    66    70    50.00000  109.50000
   68    62    63    35.00000  109.50000
   68    62    66    50.00000  109.50000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    45    45.00000  105.30000
   43    39    40    40.00000  120.50800
   45    43    44    50.00000  124.16400
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    51  -0.16000  1.0 1.0
   29    33    38    51  -0.03200 -1.0 2.0
   29    33    38    51   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    51    49   3.62500 -1.0 2.0
   33    38    51    52   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    45   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    51   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    46    47   3.62500 -1.0 2.0
   38    41    46    48   3.62500 -1.0 2.0
   41    38    51    49   3.62500 -1.0 2.0
   41    38    51    52   3.62500 -1.0 2.0
   41    46   -48    49   3.62500 -1.0 2.0
   41    46    48    50   3.62500 -1.0 2.0
   42    41    46    47   3.62500 -1.0 2.0
   42    41    46    48   3.62500 -1.0 2.0
   46    48    49    51   3.62500 -1.0 2.0
   46    48    49    53   3.62500 -1.0 2.0
   46    48    50    54   1.63200 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    49   -51    38   3.62500 -1.0 2.0
   48    49    51    52   3.62500 -1.0 2.0
   48    49    53    56   1.63200 -1.0 2.0
   48    50    54    55   0.08050  1.0 3.0
   48    50    54    60  -0.32850  1.0 1.0
   48    50    54    60  -0.35800 -1.0 2.0
   48    50    54    60   0.33950  1.0 3.0
   48    50    54    74  -0.25600  1.0 1.0
   48    50    54    74  -0.40050 -1.0 2.0
   48    50    54    74   0.34700  1.0 3.0
   49    48    50    54   1.63200 -1.0 2.0
   49    53    56    57   0.08050  1.0 3.0
   49    53    56    58   0.08050  1.0 3.0
   49    53    56    59   0.08050  1.0 3.0
   51    38    41    42   3.62500 -1.0 2.0
   51    38   -41    46   3.62500 -1.0 2.0
   51    49    53    56   1.63200 -1.0 2.0
   53    49    51    38   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   50    48    49    51   3.62500 -1.0 2.0
   50    48    49    53   3.62500 -1.0 2.0
   50    54    60    61   0.23400  1.0 3.0
   50    54    60    62   0.62750  1.0 1.0
   50    54    60    62  -0.30950 -1.0 2.0
   50    54    60    62   0.27300  1.0 3.0
   50    54    60    64   3.69350  1.0 1.0
   50    54    60    64  -1.82950 -1.0 2.0
   50    54    74    70  -0.81800  1.0 1.0
   54    60    62    63   0.15000  1.0 3.0
   54    60    62    66   3.97050  1.0 1.0
   54    60    62    68   0.86500  1.0 1.0
   54    60    62    68  -0.17500 -1.0 2.0
   54    60    62    68   0.20800  1.0 3.0
   54    60    64    65  -0.11600  1.0 1.0
   54    60    64    65  -0.09450 -1.0 2.0
   54    60    64    65   0.21250  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    64   0.23400  1.0 3.0
   55    54    74    70   0.37050  1.0 3.0
   60    54    74    70   0.06250  1.0 1.0
   60    54    74    70  -0.01100 -1.0 2.0
   60    54    74    70   0.28050  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62   -66    70   0.56750  1.0 1.0
   60    62   -66    70  -0.07550 -1.0 2.0
   60    62   -66    70   0.20000  1.0 3.0
   60    62    66    72   0.86500  1.0 1.0
   60    62    66    72  -0.17500 -1.0 2.0
   60    62    66    72   0.20800  1.0 3.0
   60    62    68    69  -0.11600  1.0 1.0
   60    62    68    69  -0.09450 -1.0 2.0
   60    62    68    69   0.21250  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    62    68   0.23400  1.0 3.0
   61    60    64    65   0.19450  1.0 3.0
   62    60    64    65  -0.11600  1.0 1.0
   62    60    64    65  -0.09450 -1.0 2.0
   62    60    64    65   0.21250  1.0 3.0
   62    66    70    71   0.15000  1.0 3.0
   62    66    70    74   0.62750  1.0 1.0
   62    66    70    74  -0.30950 -1.0 2.0
   62    66    70    74   0.27300  1.0 3.0
   62    66    70    75   0.56750  1.0 1.0
   62    66    70    75  -0.07550 -1.0 2.0
   62    66    70    75   0.20000  1.0 3.0
   62    66    72    73  -0.11600  1.0 1.0
   62    66    72    73  -0.09450 -1.0 2.0
   62    66    72    73   0.21250  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    70   0.15000  1.0 3.0
   63    62    66    72   0.23400  1.0 3.0
   63    62    68    69   0.19450  1.0 3.0
   66    62    68    69  -0.11600  1.0 1.0
   66    62    68    69  -0.09450 -1.0 2.0
   66    62    68    69   0.21250  1.0 3.0
   66    70   -74    54   0.06250  1.0 1.0
   66    70   -74    54  -0.01100 -1.0 2.0
   66    70   -74    54   0.28050  1.0 3.0
   66    70    75    76   0.15000  1.0 3.0
   66    70    75    77   0.15000  1.0 3.0
   66    70    75    78   0.86500  1.0 1.0
   66    70    75    78  -0.17500 -1.0 2.0
   66    70    75    78   0.20800  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.23400  1.0 3.0
   67    66    70    75   0.15000  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73  -0.11600  1.0 1.0
   70    66    72    73  -0.09450 -1.0 2.0
   70    66    72    73   0.21250  1.0 3.0
   70    75    78    79  -0.11600  1.0 1.0
   70    75    78    79  -0.09450 -1.0 2.0
   70    75    78    79   0.21250  1.0 3.0
   71    70    74    54   0.37050  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.23400  1.0 3.0
   74    54    60    61   0.23400  1.0 3.0
   74    54   -60    62   0.62750  1.0 1.0
   74    54   -60    62  -0.30950 -1.0 2.0
   74    54   -60    62   0.27300  1.0 3.0
   74    54    60    64   3.69350  1.0 1.0
   74    54    60    64  -1.82950 -1.0 2.0
   74    70    75    76   0.23400  1.0 3.0
   74    70    75    77   0.23400  1.0 3.0
   74    70    75    78   3.69350  1.0 1.0
   74    70    75    78  -1.82950 -1.0 2.0
   75    70    74    54   0.06250  1.0 1.0
   75    70    74    54  -0.01100 -1.0 2.0
   75    70    74    54   0.28050  1.0 3.0
   76    75    78    79   0.19450  1.0 3.0
   77    75    78    79   0.19450  1.0 3.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74   3.69350  1.0 1.0
   72    66    70    74  -1.82950 -1.0 2.0
   72    66    70    75   0.86500  1.0 1.0
   72    66    70    75  -0.17500 -1.0 2.0
   72    66    70    75   0.20800  1.0 3.0
   68    62    66    67   0.23400  1.0 3.0
   68    62    66    70   0.86500  1.0 1.0
   68    62    66    70  -0.17500 -1.0 2.0
   68    62    66    70   0.20800  1.0 3.0
   68    62    66    72   3.75450  1.0 1.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    66   0.86500  1.0 1.0
   64    60    62    66  -0.17500 -1.0 2.0
   64    60    62    66   0.20800  1.0 3.0
   64    60    62    68   3.75450  1.0 1.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    51   0.18050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    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
   41    51    38    33   4.00000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   48    47    46    41   1.10000 -1.0 2.0
   49    50    48    46   4.00000 -1.0 2.0
   51    53    49    48   4.00000 -1.0 2.0
   49    52    51    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    45    43    39  15.00000 -1.0 2.0
END
