* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    146    209     418
    1     0 S   NP   _N1_     1    28.77730    96.25291   -23.52948
    2     1 S   H    _HN1     2     1.02949    72.47730    14.52708
    3     1 S   H    _H1_     3     1.02828    37.59174   170.73507
    4     1 S   H    _H2_     4     1.02784   105.72758   -90.21458
    5     1 S   CT   _CA1     5     1.50115   137.97682   115.81271
    6     5 S   HC   _HA1     6     1.09574   105.19507    91.50703
    7     5 S   CO3  _C1_     7     1.53792   112.43379   -28.72432
    8     7 S   O2Z  _O11     8     1.26375   115.00154   -42.96703
    9     7 S   O2Z  _O12     9     1.26240   114.94659   136.13747
   10     5 S   CT   _CB1    10     1.53081   107.41748  -150.51871
   11    10 S   HC   HB11    11     1.09833   109.38004   -49.67592
   12    10 S   HC   HB12    12     1.09813   110.45497    66.93612
   13    10 S   CT   _CG1    13     1.52989   112.59383  -170.64869
   14    13 S   HC   HG11    14     1.09583   110.62109   -65.50163
   15    13 S   HC   HG12    15     1.09669   109.79575    53.73026
   16    13 S   C    _CD1    16     1.51802   112.22226   174.18163
   17    16 S   O    _OE1    17     1.22735   123.25138     6.63383
   18    16 S   N    _N2_    18     1.38679   111.63779  -173.47093
   19    18 S   H    _HN2    19     1.01575   118.98562     1.62991
   20    18 S   CT1  _CA2    20     1.46151   123.34771   177.86109
   21    20 S   HC   _HA2    21     1.09674   109.25921     2.43895
   22    20 S   C    _C2_    22     1.53434   109.17383  -112.80574
   23    22 S   O    _O2_    23     1.23110   122.07650  -151.67932
   24    20 S   CT   _CB2    32     1.53303   111.61626   124.36399
   25    24 S   HC   HB21    33     1.09547   110.35409    56.23119
   26    24 S   HC   HB22    34     1.09528   110.09097   175.48677
   27    22 S   N    _N3_    24     1.38235   113.90621    36.30177
   28    27 S   H    _HN3    25     1.01579   119.57860    -3.44384
   29    24 S   S    _SG2    35     1.82482   111.31287   -64.97842
   30    27 S   CT   _CA3    26     1.45278   123.20081   176.27721
   31    30 S   HC   HA31    27     1.09553   107.52989   -64.33502
   32    30 S   HC   HA32    28     1.09557   107.96308    52.10163
   33    29 S   CT   _C12    36     1.83419    99.32463  -178.36195
   34    33 S   HC   _H7_    37     1.09454   108.30005    37.53748
   35    30 S   CO3  _C3_    29     1.52949   114.04634   174.17274
   36    35 S   O2Z  _O31    30     1.26383   116.05723     2.02912
   37    35 S   O2Z  _O32    31     1.26426   114.44040  -177.88548
   38    33 S   CT   _C13    38     1.51988   110.68673   -86.29435
   39    38 S   HC   _H19    39     1.09445   114.93279    38.06609
   40    38 S   HC   _H20    40     1.09787   108.15809   158.16211
   41    38 S   CO   _C14    41     1.52534   103.59223   -86.70209
   42    41 S   HC   _H8_    42     1.09502   111.11363  -142.28516
   43    41 S   OS   _O42    43     1.43417   107.29800   -22.47052
   44    41 S   OH   _O43    77     1.42016   109.56764    97.75573
   45    44 S   HO   _H21    78     0.97184   106.74591   162.69188
   46    33 S   CT   _C11    44     1.53075   114.25081   161.23843
   47    46 S   HC   _H6_    45     1.09974   107.20370  -164.12657
   48    46 S   CT   _C10    46     1.52301   118.23359   -42.75229
   49    48 S   HC   _H17    47     1.09582   109.21325  -177.14817
   50    48 S   HC   _H18    48     1.09458   112.09115    65.03563
   51    48 S   OS   _O41    49     1.41968   109.07920   -57.51901
   52    51 S   P2   _P2_    50     1.63401   119.48961  -176.60742
   53    52 S   O2Z  _O40    51     1.51227   108.12745   176.33585
   54    52 S   O2Z  _O39    52     1.51329   109.02989    43.85505
   55    52 S   OS   _O38    53     1.63371   100.09809   -69.46484
   56    55 S   CT   _C7_    54     1.42787   119.96544   -66.84939
   57    56 S   HC   _H4_    55     1.09284   109.65391    31.54766
   58    56 S   CT   _C6_    56     1.51253   107.48403   154.71188
   59    58 S   HC   _H12    57     1.09518   109.95701  -163.13833
   60    58 S   HC   _H13    58     1.09413   113.97731   -40.73584
   61    58 S   CT   _C5_    59     1.52049   101.96698    79.47740
   62    61 S   HC   _H3_    60     1.09655   110.37940   -83.45358
   63    61 S   OS   _O33    61     1.43645   106.49461    32.59553
   64    61 S   CT   _C4_    73     1.51689   113.25305   153.28730
   65    64 S   HC   _H9_    74     1.09558   111.02701   -60.83323
   66    64 S   HC   _H10    75     1.09517   110.33997  -178.75212
   67    64 S   HC   _H11    76     1.09401   111.25006    60.47239
   68    56 S   CT   _C8_    62     1.52747   110.11024   -94.76059
   69    68 S   HC   _H5_    63     1.09498   111.38673    32.34778
   70    68 S   CT   _C9_    64     1.52880   113.39313   156.80876
   71    70 S   HC   _H14    65     1.09571   109.33602   176.73026
   72    70 S   HC   _H15    66     1.09552   111.10441    58.96862
   73    70 S   OS   _O34    67     1.41956   110.26097   -62.52939
   74    73 S   P2   _P1_    68     1.63229   118.92492  -172.13226
   75    74 S   O2Z  _O37    69     1.51186   108.46813  -178.03936
   76    74 S   O2Z  _O35    70     1.51174   110.15736    47.92038
   77    74 S   OS   _O36    71     1.63017    99.53711   -65.98538
   78    77 S   HO   _H16    72     0.98081   116.31990   -86.72212
  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  10   5   4   3
  14   8   2   1   1  10   6   5   7   4   8   2   1   6   4   7
   3   2   5   7   3   2  10  14   8  12   6   5   9   6  10   4
   2   1   1   6   4   7   3   2   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    49    50    51    44  
   38    39    40    41    43    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    46    47    48    44    45  
   40    41    42    43    46    44  
   41    42    43    46    44  
   42    43    46    47    48    44    45  
   43    46    44    45  
   46    47    48    49    50    51    44    45  
   45    46  
    0  
   47    48    49    50    51    52  
   48    49    50    51  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52  
   52    53    54    55    56  
   53    54    55    56    57    58    68  
   54    55    56  
   55    56  
   56    57    58    59    60    61    63    68    69    70  
   57    58    59    60    61    62    63    68    69    70    71    72    73    64  
   58    59    60    61    63    68    69    70  
   59    60    61    62    63    68    69    70    64    65    66    67  
   60    61    62    63    68    64  
   61    62    63    68    64  
   62    63    68    69    70    64    65    66    67  
   63    68    64    65    66    67  
   68    69    70    71    72    73    64    65    66    67  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    72    73    74  
   70    71    72    73  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   75   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   76   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   77   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.380000   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   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   250.000  1.527
   41    42   340.000  1.090
   41    43   320.000  1.380
   41    44   380.000  1.407
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   320.000  1.410
   51    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    55   230.000  1.697
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    68   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   320.000  1.410
   61    64   268.000  1.529
   63    68   320.000  1.410
   68    69   340.000  1.090
   68    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   320.000  1.410
   73    74   230.000  1.697
   74    75   525.000  1.480
   74    76   525.000  1.480
   74    77   230.000  1.697
   77    78   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   44    45   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    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    75.00000  109.43000
   33    46    43    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    45.00000  112.01100
   38    41    43    90.00000  108.56700
   38    41    44    90.00000  110.19100
   40    38    39    33.00000  107.80000
   41    38    39    45.00000  108.72000
   41    38    40    45.00000  108.72000
   41    43    46    60.00000  109.50000
   41    44    45    70.00000  107.92000
   43    41    42    35.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    50.00000  109.50000
   48    46    47    37.50000  110.70000
   48    51    52   100.00000  120.50000
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53   100.00000  108.23000
   51    52    54   100.00000  108.23000
   51    52    55    45.00000  102.60000
   52    55    56   100.00000  120.50000
   54    52    53   140.00000  119.90000
   55    52    53   100.00000  108.23000
   55    52    54   100.00000  108.23000
   55    56    57    35.00000  109.50000
   55    56    58    50.00000  109.50000
   55    56    68    50.00000  109.50000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    58.35000  112.70000
   56    68    63    50.00000  109.50000
   56    68    69    37.50000  110.70000
   56    68    70    58.35000  112.70000
   58    56    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    50.00000  109.50000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    68    60.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   63    61    62    35.00000  109.50000
   63    68    69    35.00000  109.50000
   63    68    70    50.00000  109.50000
   68    56    57    37.50000  110.70000
   68    56    58    58.35000  112.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    50.00000  109.50000
   70    68    69    37.50000  110.70000
   70    73    74   100.00000  120.50000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    74    75   100.00000  108.23000
   73    74    76   100.00000  108.23000
   73    74    77    45.00000  102.60000
   74    77    78    45.00000  108.50000
   76    74    75   140.00000  119.90000
   77    74    75   100.00000  108.23000
   77    74    76   100.00000  108.23000
   64    61    62    37.50000  110.70000
   64    61    63    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   44    41    42    60.00000  108.02500
   44    41    43   110.00000  112.08000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    46    43   0.56750  1.0 1.0
   29    33    46    43  -0.07550 -1.0 2.0
   29    33    46    43   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38   -41    43   0.62750  1.0 1.0
   33    38   -41    43  -0.30950 -1.0 2.0
   33    38   -41    43   0.27300  1.0 3.0
   33    38    41    44   0.86500  1.0 1.0
   33    38    41    44  -0.17500 -1.0 2.0
   33    38    41    44   0.20800  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   33    46    48    51   0.62750  1.0 1.0
   33    46    48    51  -0.30950 -1.0 2.0
   33    46    48    51   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    46    43   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    43   0.62750  1.0 1.0
   38    33   -46    43  -0.30950 -1.0 2.0
   38    33   -46    43   0.27300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.56750  1.0 1.0
   38    33    46    48  -0.07550 -1.0 2.0
   38    33    46    48   0.20000  1.0 3.0
   38    41   -43    46   0.06250  1.0 1.0
   38    41   -43    46  -0.01100 -1.0 2.0
   38    41   -43    46   0.28050  1.0 3.0
   38    41    44    45  -0.11600  1.0 1.0
   38    41    44    45  -0.09450 -1.0 2.0
   38    41    44    45   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.23400  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.23400  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43   -46    33   0.06250  1.0 1.0
   41    43   -46    33  -0.01100 -1.0 2.0
   41    43   -46    33   0.28050  1.0 3.0
   41    43    46    47   0.37050  1.0 3.0
   41    43    46    48   0.06250  1.0 1.0
   41    43    46    48  -0.01100 -1.0 2.0
   41    43    46    48   0.28050  1.0 3.0
   42    41    43    46   0.37050  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   43    41    44    45  -0.50000  1.0 1.0
   43    41    44    45  -0.73950 -1.0 2.0
   43    41    44    45   0.17150  1.0 3.0
   43    46    48    49   0.23400  1.0 3.0
   43    46    48    50   0.23400  1.0 3.0
   43    46    48    51   1.11900  1.0 1.0
   43    46    48    51  -1.16350 -1.0 2.0
   43    46    48    51  -0.34150  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33    38    40   0.15000  1.0 3.0
   46    33   -38    41   3.97050  1.0 1.0
   46    48    51    52  -2.65550  1.0 1.0
   46    48    51    52  -0.22350 -1.0 2.0
   46    48    51    52   0.24150  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.23400  1.0 3.0
   48    51    52    53   0.00000  1.0 1.0
   48    51    52    54   0.00000  1.0 1.0
   48    51    52    55   0.05050  1.0 1.0
   48    51    52    55  -1.30700 -1.0 2.0
   48    51    52    55   0.91550  1.0 3.0
   49    48    51    52   0.03000  1.0 3.0
   50    48    51    52   0.03000  1.0 3.0
   51    52    55    56   0.05050  1.0 1.0
   51    52    55    56  -1.30700 -1.0 2.0
   51    52    55    56   0.91550  1.0 3.0
   52    55    56    57   0.03000  1.0 3.0
   52    55    56    58  -2.65550  1.0 1.0
   52    55    56    58  -0.22350 -1.0 2.0
   52    55    56    58   0.24150  1.0 3.0
   52    55    56    68  -2.65550  1.0 1.0
   52    55    56    68  -0.22350 -1.0 2.0
   52    55    56    68   0.24150  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   54    52    55    56   0.00000  1.0 1.0
   55    56    58    59   0.23400  1.0 3.0
   55    56    58    60   0.23400  1.0 3.0
   55    56    58    61   0.62750  1.0 1.0
   55    56    58    61  -0.30950 -1.0 2.0
   55    56    58    61   0.27300  1.0 3.0
   55    56    68    63   1.11900  1.0 1.0
   55    56    68    63  -1.16350 -1.0 2.0
   55    56    68    63  -0.34150  1.0 3.0
   55    56    68    69   0.23400  1.0 3.0
   55    56    68    70   0.62750  1.0 1.0
   55    56    68    70  -0.30950 -1.0 2.0
   55    56    68    70   0.27300  1.0 3.0
   56    58    61    62   0.15000  1.0 3.0
   56    58   -61    63   0.62750  1.0 1.0
   56    58   -61    63  -0.30950 -1.0 2.0
   56    58   -61    63   0.27300  1.0 3.0
   56    58    61    64   0.56750  1.0 1.0
   56    58    61    64  -0.07550 -1.0 2.0
   56    58    61    64   0.20000  1.0 3.0
   56    68    70    71   0.15000  1.0 3.0
   56    68    70    72   0.15000  1.0 3.0
   56    68    70    73   0.62750  1.0 1.0
   56    68    70    73  -0.30950 -1.0 2.0
   56    68    70    73   0.27300  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    68    63   0.23400  1.0 3.0
   57    56    68    69   0.15000  1.0 3.0
   57    56    68    70   0.15000  1.0 3.0
   58    56   -68    63   0.62750  1.0 1.0
   58    56   -68    63  -0.30950 -1.0 2.0
   58    56   -68    63   0.27300  1.0 3.0
   58    56    68    69   0.15000  1.0 3.0
   58    56    68    70   0.56750  1.0 1.0
   58    56    68    70  -0.07550 -1.0 2.0
   58    56    68    70   0.20000  1.0 3.0
   58    61   -63    68   0.06250  1.0 1.0
   58    61   -63    68  -0.01100 -1.0 2.0
   58    61   -63    68   0.28050  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    67   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.23400  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.23400  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    63   -68    56   0.06250  1.0 1.0
   61    63   -68    56  -0.01100 -1.0 2.0
   61    63   -68    56   0.28050  1.0 3.0
   61    63    68    69   0.37050  1.0 3.0
   61    63    68    70   0.06250  1.0 1.0
   61    63    68    70  -0.01100 -1.0 2.0
   61    63    68    70   0.28050  1.0 3.0
   62    61    63    68   0.37050  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.23400  1.0 3.0
   63    61    64    66   0.23400  1.0 3.0
   63    61    64    67   0.23400  1.0 3.0
   63    68    70    71   0.23400  1.0 3.0
   63    68    70    72   0.23400  1.0 3.0
   63    68    70    73   1.11900  1.0 1.0
   63    68    70    73  -1.16350 -1.0 2.0
   63    68    70    73  -0.34150  1.0 3.0
   68    56    58    59   0.15000  1.0 3.0
   68    56    58    60   0.15000  1.0 3.0
   68    56   -58    61   0.56750  1.0 1.0
   68    56   -58    61  -0.07550 -1.0 2.0
   68    56   -58    61   0.20000  1.0 3.0
   68    70    73    74  -2.65550  1.0 1.0
   68    70    73    74  -0.22350 -1.0 2.0
   68    70    73    74   0.24150  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.23400  1.0 3.0
   70    73    74    75   0.00000  1.0 1.0
   70    73    74    76   0.00000  1.0 1.0
   70    73    74    77   0.05050  1.0 1.0
   70    73    74    77  -1.30700 -1.0 2.0
   70    73    74    77   0.91550  1.0 3.0
   71    70    73    74   0.03000  1.0 3.0
   72    70    73    74   0.03000  1.0 3.0
   73    74    77    78   0.00000  1.0 1.0
   75    74    77    78   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   64    61    63    68   0.06250  1.0 1.0
   64    61    63    68  -0.01100 -1.0 2.0
   64    61    63    68   0.28050  1.0 3.0
   44    41    43    46  -0.70900  1.0 1.0
   44    41    43    46  -1.18000 -1.0 2.0
   44    41    43    46   0.91650  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
END
