* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    138    221     417
    1     0 S   NP   _N1_     1    30.58567    92.19865   -25.25525
    2     1 S   H    _HN1     2     1.02737    20.27685  -115.67192
    3     1 S   H    _H1_     3     1.03474   121.52455   -65.64871
    4     1 S   H    _H2_     4     1.02884    88.47940    43.75758
    5     1 S   CT   _CA1     5     1.49923   113.27489   155.65455
    6     5 S   HC   _HA1     6     1.09577   105.34510    77.70374
    7     5 S   CO3  _C1_     7     1.53813   112.09481   -42.47508
    8     7 S   O2Z  _O11     8     1.26383   115.06403   -48.14301
    9     7 S   O2Z  _O12     9     1.26253   114.96777   131.11416
   10     5 S   CT   _CB1    10     1.53098   107.46164  -164.64162
   11    10 S   HC   HB11    11     1.09768   109.17479   -53.70887
   12    10 S   HC   HB12    12     1.09837   110.47679    62.63829
   13    10 S   CT   _CG1    13     1.53101   112.88479  -174.98265
   14    13 S   HC   HG11    14     1.09558   110.13201   -61.45498
   15    13 S   HC   HG12    15     1.09594   110.45109    57.75072
   16    13 S   C    _CD1    16     1.51747   111.48413   177.41851
   17    16 S   O    _OE1    17     1.22821   122.79031   -26.32418
   18    16 S   N    _N2_    18     1.38623   112.38832   154.56104
   19    18 S   H    _HN2    19     1.01591   119.32603     1.54129
   20    18 S   CT1  _CA2    20     1.46061   122.88139  -177.09829
   21    20 S   HC   _HA2    21     1.09542   108.93925   -17.66442
   22    20 S   C    _C2_    22     1.53353   109.01090  -132.69815
   23    22 S   O    _O2_    23     1.23045   122.25363  -149.82463
   24    20 S   CT   _CB2    32     1.53677   112.06092   104.68068
   25    24 S   HC   HB21    33     1.09677   109.22295    66.34036
   26    24 S   HC   HB22    34     1.09529   110.79989  -176.98098
   27    22 S   N    _N3_    24     1.38346   113.56322    37.86935
   28    27 S   H    _HN3    25     1.01673   119.54949    -3.76941
   29    24 S   S    _SG2    35     1.83111   115.44379   -52.87606
   30    27 S   CT   _CA3    26     1.45306   122.94177   176.73655
   31    30 S   HC   HA31    27     1.09559   107.56418   -62.31733
   32    30 S   HC   HA32    28     1.09563   107.87057    54.03835
   33    29 S   CT   _C10    36     1.84411   100.91012   -67.16969
   34    33 S   HC   _H3_    37     1.09392   108.10158    36.49936
   35    30 S   CO3  _C3_    29     1.52892   114.25216   176.00227
   36    35 S   O2Z  _O31    30     1.26337   116.05396    -0.69745
   37    35 S   O2Z  _O32    31     1.26430   114.40689   179.33854
   38    33 S   CA   _C9_    38     1.51828   110.37750   -82.43235
   39    33 S   CT   _C11    50     1.54036   108.20134   151.69075
   40    39 S   HC   _H10    51     1.09512   113.19374    74.01424
   41    39 S   HC   _H11    52     1.09863   109.12040   -45.69142
   42    38 S   CA   _C4_    39     1.40535   119.47913   109.99993
   43    42 S   HA   _H6_    40     1.08760   120.37914     0.39565
   44    39 S   CO4  _C12    53     1.51523   111.93768  -163.78509
   45    44 S   O    _O33    54     1.22318   124.95618   -37.60541
   46    42 S   CA   _C5_    41     1.39575   120.83100  -179.74436
   47    46 S   HA   _H7_    42     1.08620   119.85609  -179.86012
   48    44 S   OS   _O34    55     1.36507   109.44582   143.58168
   49    46 S   CA   _C6_    43     1.39046   119.61666     0.13848
   50    48 S   CT   _C13    56     1.44705   117.10004   179.19254
   51    50 S   HC   _H12    57     1.09785   109.05201   -40.05467
   52    49 S   CA   _C7_    44     1.39171   120.69219     0.09691
   53    52 S   HA   _H8_    45     1.08602   120.98812   179.76344
   54    49 S   OH   _O40    48     1.36610   118.21966   180.00000
   55    54 S   HO   _H20    49     0.97237   108.55719   179.92867
   56    50 S   CT   _C14    58     1.53594   108.42190  -157.20909
   57    56 S   HC   _H4_    59     1.09647   109.38104   174.07335
   58    38 S   CA   _C8_    46     1.40496   122.04544   -69.35268
   59    58 S   HA   _H9_    47     1.08714   120.61464     0.17694
   60    56 S   CT   _C15    60     1.53149   111.75903   -64.02454
   61    60 S   HC   _H13    61     1.09803   109.46402    66.45427
   62    60 S   HC   _H14    62     1.09824   108.46775  -178.72344
   63    56 S   OH   _O39    76     1.42679   109.11103    57.37275
   64    63 S   HO   _H19    77     0.97245   107.41149  -179.96574
   65    60 S   CT   _C16    63     1.53062   111.76339   -57.06855
   66    65 S   CT   _C17    64     1.54054   111.21897    53.18567
   67    66 S   HC   _H15    65     1.09790   109.63212  -171.26997
   68    66 S   HC   _H16    66     1.09730   109.20623    71.43415
   69    65 S   CO3  _C19    71     1.55195   113.79501   174.99465
   70    69 S   O2Z  _O37    72     1.26597   114.90312   173.35309
   71    69 S   O2Z  _O36    73     1.26344   116.39223    -6.32713
   72    65 S   OH   _O38    74     1.43317   107.81334   -66.91868
   73    72 S   HO   _H18    75     0.97413   107.15760  -176.62855
   74    50 S   CT   _C18    67     1.53538   109.49797    81.82936
   75    74 S   HC   _H5_    68     1.09591   110.43604   -53.14122
   76    74 S   OH   _O35    69     1.42559   109.97168  -171.01082
   77    76 S   HO   _H17    70     0.97244   107.54979    60.19233
  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   9   5   4   3
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3  10
   6  16   8   5   3   2   1  13   7   1   1  14   6   5   3   1
  11  11   6   5   5   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    58    59    39    40    41    44    45    48  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    53    58    59    39    40    41    44  
   40    41    44    45    48    50    42    58  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    58    59    54  
   46    47    49    58  
   45    48    50    51    56    74  
   48    50  
   47    49    52    53    58    54    55  
   49    52    54  
   50    51    56    57    60    66    74    75    76    63  
   52    53    58    59    54    55  
   51    56    57    60    61    62    65    66    67    68    74    75    76    77    63    64  
   56    57    60    66    74    75    76    63  
   53    58    59    54    55  
   58    59    54  
   55    58  
    0  
   57    60    61    62    65    66    74    75    76    69    72    63    64  
   60    61    62    65    74    63    64  
   59  
    0  
   61    62    65    66    67    68    74    69    70    71    72    73    63    64  
   62    65    66    69    72    63  
   65    66    69    72    63  
   64    65    74  
    0  
   66    67    68    74    75    76    69    70    71    72    73  
   67    68    74    75    76    77    69    70    71    72    73  
   68    74    75    76    69    72  
   74    75    76    69    72  
   70    71    72    73    74  
   71    72  
   72  
   73    74  
    0  
   75    76    77  
   76    77  
   77  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   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   268.000  1.529
   38    42   469.000  1.400
   38    58   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    54   450.000  1.364
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   54    55   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    74   268.000  1.529
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   268.000  1.529
   65    69   317.000  1.522
   65    72   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   320.000  1.410
   76    77   553.000  0.945
   69    70   656.000  1.250
   69    71   656.000  1.250
   72    73   553.000  0.945
   63    64   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   33    38    42    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    58    52    63.00000  120.00000
   38    58    59    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    54    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    58    63.00000  120.00000
   49    54    55    35.00000  113.00000
   52    58    59    35.00000  120.00000
   58    38    42    63.00000  120.00000
   58    52    53    35.00000  120.00000
   54    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    56    50.00000  109.50000
   48    50    74    50.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    60    58.35000  112.70000
   50    56    63    50.00000  109.50000
   50    74    66    58.35000  112.70000
   50    74    75    37.50000  110.70000
   50    74    76    50.00000  109.50000
   56    50    51    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    65    58.35000  112.70000
   56    63    64    55.00000  108.50000
   60    56    57    37.50000  110.70000
   60    65    66    58.35000  112.70000
   60    65    69    70.00000  109.69300
   60    65    72    50.00000  109.50000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    68    37.50000  110.70000
   65    66    74    58.35000  112.70000
   65    69    70    70.00000  117.00000
   65    69    71    70.00000  117.00000
   65    72    73    55.00000  108.50000
   66    74    75    37.50000  110.70000
   66    74    76    50.00000  109.50000
   68    66    67    33.00000  107.80000
   74    50    51    37.50000  110.70000
   74    50    56    58.35000  112.70000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    76    77    55.00000  108.50000
   76    74    75    35.00000  109.50000
   69    65    66    70.00000  109.69300
   71    69    70    80.00000  126.00000
   72    65    66    50.00000  109.50000
   72    65    69    95.00000  109.52300
   63    56    57    35.00000  109.50000
   63    56    60    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    58    52   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    58    52   3.62500 -1.0 2.0
   42    38    58    59   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    54   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    53   3.62500 -1.0 2.0
   46    49    52    58   3.62500 -1.0 2.0
   46    49    54    55   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    54   3.62500 -1.0 2.0
   49    52   -58    38   3.62500 -1.0 2.0
   49    52    58    59   3.62500 -1.0 2.0
   52    49    54    55   0.84100 -1.0 2.0
   53    52    58    38   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    46   3.62500 -1.0 2.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    58   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    56  -0.25900  1.0 1.0
   44    48    50    56  -0.47000 -1.0 2.0
   44    48    50    56   0.11750  1.0 3.0
   44    48    50    74  -0.25900  1.0 1.0
   44    48    50    74  -0.47000 -1.0 2.0
   44    48    50    74   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    56    57   0.23400  1.0 3.0
   48    50    56    60   0.62750  1.0 1.0
   48    50    56    60  -0.30950 -1.0 2.0
   48    50    56    60   0.27300  1.0 3.0
   48    50    56    63   3.69350  1.0 1.0
   48    50    56    63  -1.82950 -1.0 2.0
   48    50    74    66   0.62750  1.0 1.0
   48    50    74    66  -0.30950 -1.0 2.0
   48    50    74    66   0.27300  1.0 3.0
   48    50    74    75   0.23400  1.0 3.0
   48    50    74    76   3.69350  1.0 1.0
   48    50    74    76  -1.82950 -1.0 2.0
   50    56    60    61   0.15000  1.0 3.0
   50    56    60    62   0.15000  1.0 3.0
   50    56    60    65   0.56750  1.0 1.0
   50    56    60    65  -0.07550 -1.0 2.0
   50    56    60    65   0.20000  1.0 3.0
   50    56    63    64  -0.11600  1.0 1.0
   50    56    63    64  -0.09450 -1.0 2.0
   50    56    63    64   0.21250  1.0 3.0
   50    74    76    77  -0.11600  1.0 1.0
   50    74    76    77  -0.09450 -1.0 2.0
   50    74    76    77   0.21250  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    60   0.15000  1.0 3.0
   51    50    56    63   0.23400  1.0 3.0
   51    50    74    66   0.15000  1.0 3.0
   51    50    74    75   0.15000  1.0 3.0
   51    50    74    76   0.23400  1.0 3.0
   56    50    74    66   0.56750  1.0 1.0
   56    50    74    66  -0.07550 -1.0 2.0
   56    50    74    66   0.20000  1.0 3.0
   56    50    74    75   0.15000  1.0 3.0
   56    50    74    76   0.86500  1.0 1.0
   56    50    74    76  -0.17500 -1.0 2.0
   56    50    74    76   0.20800  1.0 3.0
   56    60   -65    66   0.56750  1.0 1.0
   56    60   -65    66  -0.07550 -1.0 2.0
   56    60   -65    66   0.20000  1.0 3.0
   56    60    65    69  -1.63150  1.0 1.0
   56    60    65    69  -0.43550 -1.0 2.0
   56    60    65    69   0.24500  1.0 3.0
   56    60    65    72   0.86500  1.0 1.0
   56    60    65    72  -0.17500 -1.0 2.0
   56    60    65    72   0.20800  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    65   0.15000  1.0 3.0
   57    56    63    64   0.19450  1.0 3.0
   60    56    63    64  -0.11600  1.0 1.0
   60    56    63    64  -0.09450 -1.0 2.0
   60    56    63    64   0.21250  1.0 3.0
   60    65    66    67   0.15000  1.0 3.0
   60    65    66    68   0.15000  1.0 3.0
   60    65    66    74   0.56750  1.0 1.0
   60    65    66    74  -0.07550 -1.0 2.0
   60    65    66    74   0.20000  1.0 3.0
   60    65    69    70   0.41150 -1.0 2.0
   60    65    69    71   0.41150 -1.0 2.0
   60    65    72    73  -0.11600  1.0 1.0
   60    65    72    73  -0.09450 -1.0 2.0
   60    65    72    73   0.21250  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    69  -0.11250  1.0 3.0
   61    60    65    72   0.23400  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    69  -0.11250  1.0 3.0
   62    60    65    72   0.23400  1.0 3.0
   65    66   -74    50   0.56750  1.0 1.0
   65    66   -74    50  -0.07550 -1.0 2.0
   65    66   -74    50   0.20000  1.0 3.0
   65    66    74    75   0.15000  1.0 3.0
   65    66    74    76   0.86500  1.0 1.0
   65    66    74    76  -0.17500 -1.0 2.0
   65    66    74    76   0.20800  1.0 3.0
   66    65    69    70   0.41150 -1.0 2.0
   66    65    69    71   0.41150 -1.0 2.0
   66    65    72    73  -0.11600  1.0 1.0
   66    65    72    73  -0.09450 -1.0 2.0
   66    65    72    73   0.21250  1.0 3.0
   66    74    76    77  -0.11600  1.0 1.0
   66    74    76    77  -0.09450 -1.0 2.0
   66    74    76    77   0.21250  1.0 3.0
   67    66    74    50   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.23400  1.0 3.0
   68    66    74    50   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.23400  1.0 3.0
   74    50    56    57   0.15000  1.0 3.0
   74    50   -56    60   0.56750  1.0 1.0
   74    50   -56    60  -0.07550 -1.0 2.0
   74    50   -56    60   0.20000  1.0 3.0
   74    50    56    63   0.86500  1.0 1.0
   74    50    56    63  -0.17500 -1.0 2.0
   74    50    56    63   0.20800  1.0 3.0
   75    74    76    77   0.19450  1.0 3.0
   69    65    66    67  -0.11250  1.0 3.0
   69    65    66    68  -0.11250  1.0 3.0
   69    65    66    74  -1.63150  1.0 1.0
   69    65    66    74  -0.43550 -1.0 2.0
   69    65    66    74   0.24500  1.0 3.0
   69    65    72    73   0.91850  1.0 1.0
   69    65    72    73   0.57950  1.0 3.0
   72    65    66    67   0.23400  1.0 3.0
   72    65    66    68   0.23400  1.0 3.0
   72    65    66    74   0.86500  1.0 1.0
   72    65    66    74  -0.17500 -1.0 2.0
   72    65    66    74   0.20800  1.0 3.0
   72    65    69    70   0.30150 -1.0 2.0
   72    65    69    71   0.30150 -1.0 2.0
   63    56    60    61   0.23400  1.0 3.0
   63    56    60    62   0.23400  1.0 3.0
   63    56    60    65   0.86500  1.0 1.0
   63    56    60    65  -0.17500 -1.0 2.0
   63    56    60    65   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    58    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    54    49    46   4.00000 -1.0 2.0
   58    53    52    49   1.10000 -1.0 2.0
   52    59    58    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   70    65    69    71  10.50000 -1.0 2.0
END
