* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    137    212     410
    1     0 S   NP   _N1_     1    28.48063    95.79281   -22.91033
    2     1 S   H    _HN1     2     1.02780   101.40120   -81.98584
    3     1 S   H    _H1_     3     1.02959    75.90279    24.29303
    4     1 S   H    _H2_     4     1.02836    36.11703   173.20350
    5     1 S   CT   _CA1     5     1.50140   140.57242   129.34363
    6     5 S   HC   _HA1     6     1.09580   105.18161    84.98163
    7     5 S   CO3  _C1_     7     1.53757   112.44457   -35.12905
    8     7 S   O2Z  _O11     8     1.26363   114.98607   -42.11170
    9     7 S   O2Z  _O12     9     1.26238   114.91601   136.94856
   10     5 S   CT   _CB1    10     1.53090   107.41589  -157.15046
   11    10 S   HC   HB11    11     1.09832   109.19593   -50.80644
   12    10 S   HC   HB12    12     1.09816   110.46016    65.70308
   13    10 S   CT   _CG1    13     1.53041   112.75835  -171.91187
   14    13 S   HC   HG11    14     1.09589   110.51460   -66.68900
   15    13 S   HC   HG12    15     1.09665   109.89149    52.55319
   16    13 S   C    _CD1    16     1.51842   112.27071   172.82367
   17    16 S   O    _OE1    17     1.22738   123.23503     2.51497
   18    16 S   N    _N2_    18     1.38659   111.72978  -177.12302
   19    18 S   H    _HN2    19     1.01580   119.02599     0.73781
   20    18 S   CT1  _CA2    20     1.46140   123.32573   177.96654
   21    20 S   HC   _HA2    21     1.09754   109.36507     0.52115
   22    20 S   C    _C2_    22     1.53550   108.61834  -114.94902
   23    22 S   O    _O2_    23     1.23052   122.13513  -145.33783
   24    20 S   CT   _CB2    32     1.53370   111.83382   122.46883
   25    24 S   HC   HB21    33     1.09577   110.32944    56.44418
   26    24 S   HC   HB22    34     1.09364   109.45269   175.32957
   27    22 S   N    _N3_    24     1.38469   113.60873    42.07965
   28    27 S   H    _HN3    25     1.01477   119.02944    -0.45067
   29    24 S   S    _SG2    35     1.82574   111.66640   -64.55978
   30    27 S   CT   _CA3    26     1.45460   123.46998   174.98499
   31    30 S   HC   HA31    27     1.09518   109.29133    23.75234
   32    30 S   HC   HA32    28     1.09496   107.11389   140.78303
   33    29 S   CT   _C8_    36     1.84006    99.80663  -179.71538
   34    33 S   HC   _H5_    37     1.09551   105.83597   -49.59822
   35    30 S   CO3  _C3_    29     1.52928   113.05633   -99.75334
   36    35 S   O2Z  _O31    30     1.26407   115.38612   -44.46755
   37    35 S   O2Z  _O32    31     1.26350   114.98939   136.44157
   38    33 S   CM   _C9_    38     1.49549   108.42515  -167.59918
   39    38 S   OS   _O36    39     1.38174   117.93800   -69.35756
   40    38 S   CMA  _C10    76     1.51594   122.59266   123.23542
   41    40 S   OM   _O34    77     1.26177   120.81119  -143.79981
   42    40 S   OM   _O35    78     1.26441   120.58196    36.80255
   43    39 S   CT   _C11    40     1.44648   113.56691   -57.98200
   44    43 S   HC   _H6_    41     1.09821   103.70862   165.95459
   45    43 S   CT   _C6_    42     1.54948   112.45078    49.51204
   46    45 S   HC   _H3_    43     1.09250   109.17200  -166.90746
   47    43 S   CT   _C12    63     1.55035   109.31757   -80.62187
   48    47 S   HC   _H7_    64     1.09413   110.62603    53.64057
   49    33 S   CT   _C7_    44     1.53911   115.08756    71.47406
   50    49 S   HC   _H4_    45     1.09467   108.84656   -50.12918
   51    45 S   N    _N4_    55     1.46555   110.31298    79.01186
   52    51 S   H    _H12    56     1.01664   117.76383   -33.02751
   53    47 S   CT   _C13    65     1.53757   116.12562   178.43364
   54    53 S   HC   _H8_    66     1.09345   110.96457   -62.98373
   55    47 S   OH   _O39    74     1.43803   107.14434   -60.94721
   56    55 S   HO   _H17    75     0.97336   106.63023   172.67957
   57    49 S   NG   _N5_    46     1.49583   108.84745  -164.36227
   58    57 S   H    _H18    47     1.02213   117.75642   -14.58810
   59    51 S   C    _C5_    57     1.38362   122.40468   155.02456
   60    59 S   O    _O33    58     1.22880   125.01062    -1.70754
   61    53 S   CT   _C14    67     1.52789   114.11403    62.27316
   62    61 S   HC   _H13    68     1.09452   111.44751    66.97116
   63    61 S   HC   _H14    69     1.09313   111.69625   -56.17334
   64    53 S   OH   _O38    72     1.43575   107.48864  -177.77472
   65    64 S   HO   _H16    73     0.97364   106.83636  -175.39113
   66    57 S   CG   _C15    48     1.38115   124.60336   161.72677
   67    59 S   CT   _C4_    59     1.50410   112.75662   176.44576
   68    67 S   HC   _H9_    60     1.09374   110.78379    38.41795
   69    67 S   HC   _H10    61     1.09344   109.52330   158.06569
   70    67 S   HC   _H11    62     1.09342   109.21664   -82.10336
   71    61 S   OH   _O37    70     1.42631   108.42946  -174.81420
   72    71 S   HO   _H15    71     0.97280   106.93320  -179.57022
   73    66 S   NG   _N7_    49     1.38004   118.93683  -179.87805
   74    73 S   H    _H21    50     1.01683   120.91835    -0.37846
   75    73 S   H    _H22    51     1.01543   121.40462  -179.96044
   76    66 S   NG   _N6_    52     1.38085   122.05625     0.17471
   77    76 S   H    _H19    53     1.01569   120.98628   179.89165
   78    76 S   H    _H20    54     1.01737   122.12485    -0.00000
  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
  15   7   2   1   1  11  13   4   1   1  17   8  15   7  13   6
   9   4   8   3  10   7   3   1   8   3   5   4   6   4   3   2
   1   6   3   2   1   1   1   1   5   2   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    49    50    57    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    45    46    49    50    57    58    66    51    40    41    42  
   38    39    45    49    50    57    40  
   36    37  
   37  
    0  
   39    43    44    45    49    50    57    47    40    41    42  
   43    44    45    46    49    51    47    48    53    55    40    41    42  
   41    42    43    49  
   42  
    0  
   44    45    46    49    50    57    51    52    59    47    48    53    54    61    64    55    56  
   45    46    49    51    47    48    53    55  
   46    49    50    57    58    66    51    52    59    60    67    47    48    53    55  
   49    50    57    51    52    59    47  
   48    53    54    61    62    63    71    64    65    55    56    49    51  
   53    54    61    64    55    56  
   50    57    58    66    73    76    51    52    59  
   57    58    66    51  
   52    59    60    67    68    69    70    57  
   59    60    67  
   54    61    62    63    71    72    64    65    55    56  
   61    62    63    71    64    65    55  
   56    61    64  
    0  
   58    66    73    74    75    76    77    78  
   66    73    76  
   60    67    68    69    70  
   67    68    69    70  
   62    63    71    72    64    65  
   63    71    72    64  
   71    72    64  
   65    71  
    0  
   73    74    75    76    77    78  
   68    69    70  
   69    70  
   70  
    0  
   72  
    0  
   74    75    76    77    78  
   75    76  
   76  
   77    78  
   78  
    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   0.177500   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  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.133000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   58   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   61   3.5000   0.0660   0.145000   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   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   74   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   77   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.460000   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    49   268.000  1.529
   38    39   440.000  1.360
   38    40   465.000  1.376
   39    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    51   337.000  1.449
   49    50   340.000  1.090
   49    57   337.000  1.463
   57    58   434.000  1.010
   57    66   481.000  1.340
   66    73   481.000  1.340
   66    76   481.000  1.340
   73    74   434.000  1.010
   73    75   434.000  1.010
   76    77   434.000  1.010
   76    78   434.000  1.010
   51    52   434.000  1.010
   51    59   490.000  1.335
   59    60   570.000  1.229
   59    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    55   320.000  1.410
   53    54   340.000  1.090
   53    61   268.000  1.529
   53    64   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    71   320.000  1.410
   71    72   553.000  0.945
   64    65   553.000  0.945
   55    56   553.000  0.945
   40    41   745.000  1.250
   40    42   745.000  1.250
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    49    75.00000  111.63000
   33    38    39    85.00000  112.85300
   33    38    40    70.00000  124.00000
   33    49    45    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    57    80.00000  111.20000
   38    33    34    35.00000  109.50000
   38    39    43    90.00000  111.18400
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  137.10300
   39    43    44    35.00000  109.50000
   39    43    45    50.00000  109.50000
   39    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    45    51    70.00000  110.72300
   43    47    48    37.50000  110.70000
   43    47    53    58.35000  112.70000
   43    47    55    50.00000  109.50000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    57    80.00000  111.20000
   45    51    52    38.00000  118.40000
   45    51    59    50.00000  121.90000
   49    33    34    37.50000  110.70000
   49    33    38    70.00000  112.02700
   49    45    46    37.50000  110.70000
   49    57    58    35.00000  118.40000
   49    57    66    50.00000  123.20000
   57    49    50    35.00000  109.50000
   57    66    73    70.00000  120.00000
   57    66    76    70.00000  120.00000
   66    57    58    35.00000  120.00000
   66    73    74    35.00000  120.00000
   66    73    75    35.00000  120.00000
   66    76    77    35.00000  120.00000
   66    76    78    35.00000  120.00000
   75    73    74    35.00000  120.00000
   76    66    73    70.00000  120.00000
   78    76    77    35.00000  120.00000
   51    45    46    35.00000  109.50000
   51    45    49    70.00000  110.72300
   51    59    60    80.00000  122.90000
   51    59    67    70.00000  116.60000
   59    51    52    35.00000  119.80000
   59    67    68    35.00000  109.50000
   59    67    69    35.00000  109.50000
   59    67    70    35.00000  109.50000
   67    59    60    80.00000  120.40000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    53    54    37.50000  110.70000
   47    53    61    58.35000  112.70000
   47    53    64    50.00000  109.50000
   47    55    56    55.00000  108.50000
   53    47    48    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    71    50.00000  109.50000
   53    64    65    55.00000  108.50000
   61    53    54    37.50000  110.70000
   61    71    72    55.00000  108.50000
   63    61    62    33.00000  107.80000
   71    61    62    35.00000  109.50000
   71    61    63    35.00000  109.50000
   64    53    54    35.00000  109.50000
   64    53    61    50.00000  109.50000
   55    47    48    35.00000  109.50000
   55    47    53    50.00000  109.50000
   40    38    39    80.00000  120.01400
   42    40    41    65.00000  121.00000
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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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    39   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    49    45   0.44750  1.0 1.0
   29    33    49    45  -0.17800 -1.0 2.0
   29    33    49    45   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    57   0.56750  1.0 1.0
   29    33    49    57  -0.07550 -1.0 2.0
   29    33    49    57   0.20000  1.0 3.0
   33    38    39    43   2.00000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    49    57    58  -0.09500  1.0 1.0
   33    49    57    58  -0.20850 -1.0 2.0
   33    49    57    58   0.20900  1.0 3.0
   33    49    57    66   0.25550 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    45   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    57  -0.29100  1.0 3.0
   38    33    49    45   0.34400  1.0 1.0
   38    33    49    45   0.09450 -1.0 2.0
   38    33    49    45   0.11100  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    57   0.21700  1.0 1.0
   38    33    49    57   0.68550 -1.0 2.0
   38    33    49    57  -0.27950  1.0 3.0
   38    39    43    44   0.08050  1.0 3.0
   38    39   -43    45  -0.46850  1.0 1.0
   38    39   -43    45   0.09300 -1.0 2.0
   38    39   -43    45  -0.12850  1.0 3.0
   38    39    43    47  -0.46850  1.0 1.0
   38    39    43    47   0.09300 -1.0 2.0
   38    39    43    47  -0.12850  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   39    43    45    46   0.23400  1.0 3.0
   39    43    45    49   0.62750  1.0 1.0
   39    43    45    49  -0.30950 -1.0 2.0
   39    43    45    49   0.27300  1.0 3.0
   39    43    45    51   1.12100  1.0 1.0
   39    43    45    51  -0.16500 -1.0 2.0
   39    43    47    48   0.23400  1.0 3.0
   39    43    47    53   0.62750  1.0 1.0
   39    43    47    53  -0.30950 -1.0 2.0
   39    43    47    53   0.27300  1.0 3.0
   39    43    47    55   3.69350  1.0 1.0
   39    43    47    55  -1.82950 -1.0 2.0
   43    45   -49    33   0.56750  1.0 1.0
   43    45   -49    33  -0.07550 -1.0 2.0
   43    45   -49    33   0.20000  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    57   0.86200  1.0 1.0
   43    45    49    57   0.12850 -1.0 2.0
   43    45    49    57   0.15950  1.0 3.0
   43    45    51    52   0.00000  1.0 1.0
   43    45    51    59  -0.43950  1.0 1.0
   43    45    51    59  -0.08100 -1.0 2.0
   43    45    51    59   0.03350  1.0 3.0
   43    47    53    54   0.15000  1.0 3.0
   43    47    53    61   0.56750  1.0 1.0
   43    47    53    61  -0.07550 -1.0 2.0
   43    47    53    61   0.20000  1.0 3.0
   43    47    53    64   0.86500  1.0 1.0
   43    47    53    64  -0.17500 -1.0 2.0
   43    47    53    64   0.20800  1.0 3.0
   43    47    55    56  -0.11600  1.0 1.0
   43    47    55    56  -0.09450 -1.0 2.0
   43    47    55    56   0.21250  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    51   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   44    43    47    55   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    53   0.56750  1.0 1.0
   45    43    47    53  -0.07550 -1.0 2.0
   45    43    47    53   0.20000  1.0 3.0
   45    43    47    55   0.86500  1.0 1.0
   45    43    47    55  -0.17500 -1.0 2.0
   45    43    47    55   0.20800  1.0 3.0
   45    49    57    58  -0.09500  1.0 1.0
   45    49    57    58  -0.20850 -1.0 2.0
   45    49    57    58   0.20900  1.0 3.0
   45    49    57    66   0.25550 -1.0 2.0
   45    51    59    60   3.04450 -1.0 2.0
   45    51    59    67   1.49850  1.0 1.0
   45    51    59    67   1.53950 -1.0 2.0
   46    45    49    33   0.15000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    57  -0.29100  1.0 3.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    59   0.00000  1.0 1.0
   49    33   -38    39   0.09700  1.0 1.0
   49    33   -38    39   0.15600 -1.0 2.0
   49    33   -38    39  -0.50800  1.0 3.0
   49    33    38    40   0.09850  1.0 1.0
   49    33    38    40   0.15250 -1.0 2.0
   49    33    38    40  -0.50650  1.0 3.0
   49    45    51    52   0.00000  1.0 1.0
   49    45    51    59  -0.43950  1.0 1.0
   49    45    51    59  -0.08100 -1.0 2.0
   49    45    51    59   0.03350  1.0 3.0
   49    57    66    73   3.96800 -1.0 2.0
   49    57    66    76   3.96800 -1.0 2.0
   50    49    57    58   0.00000  1.0 1.0
   50    49    57    66   0.08850  1.0 3.0
   57    66    73    74   1.50000 -1.0 2.0
   57    66    73    75   1.50000 -1.0 2.0
   57    66    76    77   1.50000 -1.0 2.0
   57    66    76    78   1.50000 -1.0 2.0
   58    57    66    73   1.50000 -1.0 2.0
   58    57    66    76   1.50000 -1.0 2.0
   73    66    76    77   1.50000 -1.0 2.0
   73    66    76    78   1.50000 -1.0 2.0
   76    66    73    74   1.50000 -1.0 2.0
   76    66    73    75   1.50000 -1.0 2.0
   51    45    49    33  -0.27100  1.0 1.0
   51    45    49    33  -0.01700 -1.0 2.0
   51    45    49    33  -0.48600  1.0 3.0
   51    45    49    50   0.15000  1.0 3.0
   51    45    49    57   2.20050  1.0 1.0
   51    45    49    57   0.63450 -1.0 2.0
   51    45    49    57  -0.91300  1.0 3.0
   51    59    67    68   0.00000  1.0 1.0
   51    59    67    69   0.00000  1.0 1.0
   51    59    67    70   0.00000  1.0 1.0
   52    51    59    60   2.45000 -1.0 2.0
   52    51    59    67   2.45000 -1.0 2.0
   60    59    67    68   0.00000  1.0 1.0
   60    59    67    69   0.00000  1.0 1.0
   60    59    67    70   0.00000  1.0 1.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.56750  1.0 1.0
   47    43    45    49  -0.07550 -1.0 2.0
   47    43    45    49   0.20000  1.0 3.0
   47    43    45    51   0.43900  1.0 1.0
   47    43    45    51   0.49100 -1.0 2.0
   47    43    45    51   0.28400  1.0 3.0
   47    53    61    62   0.15000  1.0 3.0
   47    53    61    63   0.15000  1.0 3.0
   47    53    61    71   0.86500  1.0 1.0
   47    53    61    71  -0.17500 -1.0 2.0
   47    53    61    71   0.20800  1.0 3.0
   47    53    64    65  -0.11600  1.0 1.0
   47    53    64    65  -0.09450 -1.0 2.0
   47    53    64    65   0.21250  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    61   0.15000  1.0 3.0
   48    47    53    64   0.23400  1.0 3.0
   48    47    55    56   0.19450  1.0 3.0
   53    47    55    56  -0.11600  1.0 1.0
   53    47    55    56  -0.09450 -1.0 2.0
   53    47    55    56   0.21250  1.0 3.0
   53    61    71    72  -0.11600  1.0 1.0
   53    61    71    72  -0.09450 -1.0 2.0
   53    61    71    72   0.21250  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    71   0.23400  1.0 3.0
   54    53    64    65   0.19450  1.0 3.0
   61    53    64    65  -0.11600  1.0 1.0
   61    53    64    65  -0.09450 -1.0 2.0
   61    53    64    65   0.21250  1.0 3.0
   62    61    71    72   0.19450  1.0 3.0
   63    61    71    72   0.19450  1.0 3.0
   64    53    61    62   0.23400  1.0 3.0
   64    53    61    63   0.23400  1.0 3.0
   64    53    61    71   3.75450  1.0 1.0
   55    47    53    54   0.23400  1.0 3.0
   55    47    53    61   0.86500  1.0 1.0
   55    47    53    61  -0.17500 -1.0 2.0
   55    47    53    61   0.20800  1.0 3.0
   55    47    53    64   3.75450  1.0 1.0
   40    38    39    43  -2.26850  1.0 1.0
   40    38    39    43   3.39050 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   58    66    57    49   1.00000 -1.0 2.0
   57    73    66    76  10.50000 -1.0 2.0
   75    66    73    74   1.00000 -1.0 2.0
   77    78    76    66   1.00000 -1.0 2.0
   52    59    51    45   1.00000 -1.0 2.0
   51    67    59    60  10.50000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
END
