* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    151    235     457
    1     0 S   NP   _N1_     1    28.87011    96.40302   -21.86002
    2     1 S   H    _HN1     2     1.02819   104.04279  -121.81098
    3     1 S   H    _H1_     3     1.02930    72.86462   -16.64162
    4     1 S   H    _H2_     4     1.02844    37.90276   137.20169
    5     1 S   CT   _CA1     5     1.50080   139.52289    85.28492
    6     5 S   HC   _HA1     6     1.09568   105.19550    90.47554
    7     5 S   CO3  _C1_     7     1.53813   112.46308   -29.85222
    8     7 S   O2Z  _O11     8     1.26440   115.06521   -45.63651
    9     7 S   O2Z  _O12     9     1.26191   114.98651   133.70372
   10     5 S   CT   _CB1    10     1.53084   107.44217  -151.53137
   11    10 S   HC   HB11    11     1.09842   109.60655   -49.08261
   12    10 S   HC   HB12    12     1.09697   110.38810    67.42888
   13    10 S   CT   _CG1    13     1.52988   112.52556  -169.85776
   14    13 S   HC   HG11    14     1.09555   110.92898   -64.42548
   15    13 S   HC   HG12    15     1.09628   109.50732    54.67022
   16    13 S   C    _CD1    16     1.51754   111.64621   175.98097
   17    16 S   O    _OE1    17     1.22827   122.84988    25.47662
   18    16 S   N    _N2_    18     1.38545   112.20761  -155.44627
   19    18 S   H    _HN2    19     1.01555   119.14300     3.02349
   20    18 S   CT1  _CA2    20     1.46297   123.51977  -179.61845
   21    20 S   HC   _HA2    21     1.09630   108.78947    12.08190
   22    20 S   C    _C2_    22     1.53646   109.67870  -103.45845
   23    22 S   O    _O2_    23     1.23094   122.07166  -151.36843
   24    20 S   CT   _CB2    32     1.53498   111.34030   133.96552
   25    24 S   HC   HB21    33     1.09641   109.66604    61.53167
   26    24 S   HC   HB22    34     1.09529   111.48375   179.44398
   27    22 S   N    _N3_    24     1.38242   114.04591    36.19240
   28    27 S   H    _HN3    25     1.01496   119.68361    -3.49233
   29    24 S   S    _SG2    35     1.82552   112.78776   -57.45281
   30    27 S   CT   _CA3    26     1.45272   123.40172   177.10985
   31    30 S   HC   HA31    27     1.09545   107.54466   -64.00341
   32    30 S   HC   HA32    28     1.09550   107.98819    52.48969
   33    29 S   CT   _C15    36     1.84832   100.10619   -78.68663
   34    33 S   HC   _H13    37     1.09544   107.23453    24.99146
   35    30 S   CO3  _C3_    29     1.53009   113.93802   174.42237
   36    35 S   O2Z  _O31    30     1.26404   116.06494    -1.50831
   37    35 S   O2Z  _O32    31     1.26416   114.42344   178.55328
   38    33 S   CT   _C10    38     1.54716   109.01384   142.03378
   39    38 S   HC   _H8_    39     1.09875   109.30740    56.47242
   40    38 S   CT   _C11    40     1.54187   110.74815   177.36396
   41    40 S   HC   _H9_    41     1.09520   110.64666  -175.43979
   42    38 S   OS   _O34    58     1.43575   107.96930   -63.05655
   43    40 S   CT   _C12    42     1.53361   111.36070   -53.18276
   44    43 S   HC   _H10    43     1.09682   109.06216   -66.13242
   45    40 S   OH   _O40    56     1.43259   108.97106    68.91186
   46    45 S   HO   _H18    57     0.97392   107.35675  -153.21447
   47    42 S   CO   _C9_    59     1.43010   115.12257   160.66372
   48    47 S   HC   _H7_    60     1.09535   110.06006    -2.03730
   49    43 S   CT   _C13    44     1.53716   112.64800    55.02392
   50    49 S   HC   _H11    45     1.09606   108.24576  -178.57673
   51    43 S   OH   _O39    54     1.42767   109.61844   177.06695
   52    51 S   HO   _H17    55     0.97245   107.50017    63.17215
   53    47 S   CT   _C8_    61     1.53383   108.47869   117.82563
   54    53 S   HC   _H6_    62     1.09422   111.74801   -61.98630
   55    33 S   CT   _C14    46     1.55165   110.29185   -94.15672
   56    55 S   HC   _H12    47     1.10011   107.88785    62.37919
   57    49 S   OH   _O38    52     1.42809   110.53082    65.08090
   58    57 S   HO   _H16    53     0.97276   107.31449   175.87916
   59    53 S   CT   _C7_    63     1.52968   110.32655   173.52398
   60    59 S   HC   _H5_    64     1.09691   108.56211    67.53080
   61    53 S   NP   _N4_    79     1.49540   108.90905    52.95090
   62    61 S   H    _H19    80     1.03072   111.35450   -53.53593
   63    61 S   H    _H20    81     1.02749   111.80034  -175.06866
   64    61 S   H    _H21    82     1.03080   110.97818    65.18612
   65    55 S   OS   _O35    48     1.43336   109.08636   -58.90988
   66    59 S   CT   _C6_    65     1.53362   111.82766   -51.97090
   67    66 S   HC   _H4_    66     1.09566   110.18563   175.32060
   68    59 S   OH   _O41    77     1.42502   110.93970  -175.71819
   69    68 S   HO   _H22    78     0.97280   107.87077   -63.90745
   70    65 S   PR   _P1_    49     1.62186   117.88705   152.00820
   71    70 S   OM   _O37    50     1.64036    97.54189   174.86180
   72    70 S   OM   _O36    51     1.64046    98.09828   -85.79130
   73    66 S   CT   _C5_    67     1.53711   111.13211    51.15092
   74    73 S   HC   _H3_    68     1.09676   108.95343  -165.36654
   75    66 S   OH   _O42    75     1.43228   108.81808   -68.34166
   76    75 S   HO   _H23    76     0.97700   107.69485  -178.29935
   77    47 S   OS   _O33    69     1.43157   109.27562  -121.02082
   78    73 S   CT   _C4_    70     1.53187   112.87773    75.09688
   79    78 S   HC   _H14    71     1.09479   110.43022    54.55121
   80    78 S   HC   _H15    72     1.09265   112.71556   -67.17224
   81    78 S   OH   _O43    73     1.42307   109.05449   173.11180
   82    81 S   HO   _H24    74     0.97234   107.31347   179.91607
  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
  16   8   2   1   1  17   7  13   7  11  12   7   3   1  15   6
   9   6   3   1  14   9   7   3   2   1  15   7   6   2   1   1
   3  12   7   3   1   2   1   1   9   6   3   1   4   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    55    56    65    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    55    56    65    70    57    45    42    47  
   38    39    40    49    55    56    65    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    55    56    65    51    45    46    42    47    48    53    77  
   40    41    43    55    45    42    47  
   41    43    44    49    50    55    57    51    52    45    46    42    47  
   43    44    49    51    45    46    42  
   47    48    53    54    59    73    77    61    43    45    55  
   44    49    50    55    56    65    57    58    51    52    45    46  
   49    50    55    57    51    52    45  
   46    49    51  
    0  
   48    53    54    59    60    66    73    74    77    78    68    61    62    63    64  
   53    54    59    73    77    61  
   50    55    56    65    70    57    58    51    52  
   55    56    65    57    58    51  
   52    55    57  
    0  
   54    59    60    66    67    73    77    75    68    69    61    62    63    64  
   59    60    66    77    68    61    62    63    64  
   56    65    70    71    72    57    58  
   65    70    57  
   58    65  
    0  
   60    66    67    73    74    77    78    75    76    68    69    61    62    63    64  
   66    67    73    75    68    69    61  
   62    63    64    66    68    77  
   63    64  
   64  
    0  
   70    71    72  
   67    73    74    77    78    79    80    81    75    76    68    69  
   73    74    77    78    75    76    68  
   69    73    75  
    0  
   71    72  
   72  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   62   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   63   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.9000   0.1400  -1.312500   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   71   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   72   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   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   268.000  1.529
   33    55   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   320.000  1.410
   55    56   340.000  1.090
   55    65   320.000  1.410
   65    70   325.000  1.672
   70    71   325.000  1.672
   70    72   325.000  1.672
   57    58   553.000  0.945
   51    52   553.000  0.945
   45    46   553.000  0.945
   42    47   320.000  1.380
   47    48   340.000  1.090
   47    53   250.000  1.527
   47    77   320.000  1.380
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    61   367.000  1.471
   59    60   340.000  1.090
   59    66   268.000  1.529
   59    68   320.000  1.410
   66    67   340.000  1.090
   66    73   268.000  1.529
   66    75   320.000  1.410
   73    74   340.000  1.090
   73    77   320.000  1.410
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   320.000  1.410
   81    82   553.000  0.945
   75    76   553.000  0.945
   68    69   553.000  0.945
   61    62   434.000  1.010
   61    63   434.000  1.010
   61    64   434.000  1.010
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    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    49    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    65    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    55    58.35000  112.70000
   43    49    57    50.00000  109.50000
   43    51    52    55.00000  108.50000
   49    43    44    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    65    50.00000  109.50000
   49    57    58    55.00000  108.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    49    50    37.50000  110.70000
   55    65    70   100.00000  120.50000
   65    55    56    35.00000  109.50000
   65    70    71    45.00000  102.60000
   65    70    72    45.00000  102.60000
   72    70    71    35.00000   94.00000
   57    49    50    35.00000  109.50000
   57    49    55    50.00000  109.50000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48    35.00000  109.50000
   42    47    53    90.00000  108.56700
   42    47    77    92.60000  111.55000
   47    53    54    45.00000  108.72000
   47    53    59    75.00000  109.43000
   47    53    61    80.00000  111.20000
   47    77    73    60.00000  109.50000
   53    47    48    45.00000  112.01100
   53    59    60    37.50000  110.70000
   53    59    66    58.35000  112.70000
   53    59    68    50.00000  109.50000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   59    53    54    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    73    58.35000  112.70000
   59    66    75    50.00000  109.50000
   59    68    69    55.00000  108.50000
   66    59    60    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    77    50.00000  109.50000
   66    73    78    58.35000  112.70000
   66    75    76    55.00000  108.50000
   73    66    67    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    50.00000  109.50000
   77    47    48    35.00000  109.50000
   77    47    53    90.00000  108.56700
   77    73    74    35.00000  109.50000
   78    73    74    37.50000  110.70000
   78    73    77    50.00000  109.50000
   78    81    82    55.00000  108.50000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   75    66    67    35.00000  109.50000
   75    66    73    50.00000  109.50000
   68    59    60    35.00000  109.50000
   68    59    66    50.00000  109.50000
   61    53    54    35.00000  109.50000
   61    53    59    80.00000  111.20000
   63    61    62    35.00000  109.50000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  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   0.01700  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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    49   0.44750  1.0 1.0
   29    33    55    49  -0.17800 -1.0 2.0
   29    33    55    49   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    65   0.56750  1.0 1.0
   29    33    55    65  -0.07550 -1.0 2.0
   29    33    55    65   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47   0.06250  1.0 1.0
   33    38    42    47  -0.01100 -1.0 2.0
   33    38    42    47   0.28050  1.0 3.0
   33    55    65    70  -2.65550  1.0 1.0
   33    55    65    70  -0.22350 -1.0 2.0
   33    55    65    70   0.24150  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    42   0.23400  1.0 3.0
   34    33    55    49   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    65   0.23400  1.0 3.0
   38    33    55    49   0.56750  1.0 1.0
   38    33    55    49  -0.07550 -1.0 2.0
   38    33    55    49   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    65   0.62750  1.0 1.0
   38    33    55    65  -0.30950 -1.0 2.0
   38    33    55    65   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.86500  1.0 1.0
   38    40    43    51  -0.17500 -1.0 2.0
   38    40    43    51   0.20800  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.37050  1.0 3.0
   38    42    47    53   0.06250  1.0 1.0
   38    42    47    53  -0.01100 -1.0 2.0
   38    42    47    53   0.28050  1.0 3.0
   38    42    47    77  -0.53350  1.0 1.0
   38    42    47    77  -0.78350 -1.0 2.0
   38    42    47    77   0.33750  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.37050  1.0 3.0
   40    38    42    47   0.06250  1.0 1.0
   40    38    42    47  -0.01100 -1.0 2.0
   40    38    42    47   0.28050  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    55   0.56750  1.0 1.0
   40    43    49    55  -0.07550 -1.0 2.0
   40    43    49    55   0.20000  1.0 3.0
   40    43    49    57   0.86500  1.0 1.0
   40    43    49    57  -0.17500 -1.0 2.0
   40    43    49    57   0.20800  1.0 3.0
   40    43    51    52  -0.11600  1.0 1.0
   40    43    51    52  -0.09450 -1.0 2.0
   40    43    51    52   0.21250  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    49   -55    33   0.56750  1.0 1.0
   43    49   -55    33  -0.07550 -1.0 2.0
   43    49   -55    33   0.20000  1.0 3.0
   43    49    55    56   0.15000  1.0 3.0
   43    49    55    65   0.62750  1.0 1.0
   43    49    55    65  -0.30950 -1.0 2.0
   43    49    55    65   0.27300  1.0 3.0
   43    49    57    58  -0.11600  1.0 1.0
   43    49    57    58  -0.09450 -1.0 2.0
   43    49    57    58   0.21250  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    55   0.15000  1.0 3.0
   44    43    49    57   0.23400  1.0 3.0
   44    43    51    52   0.19450  1.0 3.0
   49    43    51    52  -0.11600  1.0 1.0
   49    43    51    52  -0.09450 -1.0 2.0
   49    43    51    52   0.21250  1.0 3.0
   49    55    65    70  -2.65550  1.0 1.0
   49    55    65    70  -0.22350 -1.0 2.0
   49    55    65    70   0.24150  1.0 3.0
   50    49    55    33   0.15000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    65   0.23400  1.0 3.0
   50    49    57    58   0.19450  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.62750  1.0 1.0
   55    33    38    42  -0.30950 -1.0 2.0
   55    33    38    42   0.27300  1.0 3.0
   55    49    57    58  -0.11600  1.0 1.0
   55    49    57    58  -0.09450 -1.0 2.0
   55    49    57    58   0.21250  1.0 3.0
   55    65    70    71   0.05050  1.0 1.0
   55    65    70    71  -1.30700 -1.0 2.0
   55    65    70    71   0.91550  1.0 3.0
   55    65    70    72   0.05050  1.0 1.0
   55    65    70    72  -1.30700 -1.0 2.0
   55    65    70    72   0.91550  1.0 3.0
   56    55    65    70   0.03000  1.0 3.0
   57    49    55    33   0.86500  1.0 1.0
   57    49    55    33  -0.17500 -1.0 2.0
   57    49    55    33   0.20800  1.0 3.0
   57    49    55    56   0.23400  1.0 3.0
   57    49    55    65   3.69350  1.0 1.0
   57    49    55    65  -1.82950 -1.0 2.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    55   0.86500  1.0 1.0
   51    43    49    55  -0.17500 -1.0 2.0
   51    43    49    55   0.20800  1.0 3.0
   51    43    49    57   3.75450  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.86500  1.0 1.0
   45    40    43    49  -0.17500 -1.0 2.0
   45    40    43    49   0.20800  1.0 3.0
   45    40    43    51   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
   42    47    53    54   0.23400  1.0 3.0
   42    47    53    59   0.62750  1.0 1.0
   42    47    53    59  -0.30950 -1.0 2.0
   42    47    53    59   0.27300  1.0 3.0
   42    47    53    61   1.69300  1.0 1.0
   42    47    53    61  -0.48450 -1.0 2.0
   42    47    77    73  -0.81800  1.0 1.0
   47    53    59    60   0.15000  1.0 3.0
   47    53    59    66   3.97050  1.0 1.0
   47    53    59    68   0.86500  1.0 1.0
   47    53    59    68  -0.17500 -1.0 2.0
   47    53    59    68   0.20800  1.0 3.0
   47    53    61    62   0.17350  1.0 3.0
   47    53    61    63   0.17350  1.0 3.0
   47    53    61    64   0.17350  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    59   0.15000  1.0 3.0
   48    47    53    61   0.19200  1.0 3.0
   48    47    77    73   0.37050  1.0 3.0
   53    47    77    73   0.06250  1.0 1.0
   53    47    77    73  -0.01100 -1.0 2.0
   53    47    77    73   0.28050  1.0 3.0
   53    59    66    67   0.15000  1.0 3.0
   53    59   -66    73   0.56750  1.0 1.0
   53    59   -66    73  -0.07550 -1.0 2.0
   53    59   -66    73   0.20000  1.0 3.0
   53    59    66    75   0.86500  1.0 1.0
   53    59    66    75  -0.17500 -1.0 2.0
   53    59    66    75   0.20800  1.0 3.0
   53    59    68    69  -0.11600  1.0 1.0
   53    59    68    69  -0.09450 -1.0 2.0
   53    59    68    69   0.21250  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    66   0.15000  1.0 3.0
   54    53    59    68   0.23400  1.0 3.0
   54    53    61    62   0.13050  1.0 3.0
   54    53    61    63   0.13050  1.0 3.0
   54    53    61    64   0.13050  1.0 3.0
   59    53    61    62   0.17350  1.0 3.0
   59    53    61    63   0.17350  1.0 3.0
   59    53    61    64   0.17350  1.0 3.0
   59    66    73    74   0.15000  1.0 3.0
   59    66    73    77   0.62750  1.0 1.0
   59    66    73    77  -0.30950 -1.0 2.0
   59    66    73    77   0.27300  1.0 3.0
   59    66    73    78   0.56750  1.0 1.0
   59    66    73    78  -0.07550 -1.0 2.0
   59    66    73    78   0.20000  1.0 3.0
   59    66    75    76  -0.11600  1.0 1.0
   59    66    75    76  -0.09450 -1.0 2.0
   59    66    75    76   0.21250  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    73   0.15000  1.0 3.0
   60    59    66    75   0.23400  1.0 3.0
   60    59    68    69   0.19450  1.0 3.0
   66    59    68    69  -0.11600  1.0 1.0
   66    59    68    69  -0.09450 -1.0 2.0
   66    59    68    69   0.21250  1.0 3.0
   66    73   -77    47   0.06250  1.0 1.0
   66    73   -77    47  -0.01100 -1.0 2.0
   66    73   -77    47   0.28050  1.0 3.0
   66    73    78    79   0.15000  1.0 3.0
   66    73    78    80   0.15000  1.0 3.0
   66    73    78    81   0.86500  1.0 1.0
   66    73    78    81  -0.17500 -1.0 2.0
   66    73    78    81   0.20800  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    77   0.23400  1.0 3.0
   67    66    73    78   0.15000  1.0 3.0
   67    66    75    76   0.19450  1.0 3.0
   73    66    75    76  -0.11600  1.0 1.0
   73    66    75    76  -0.09450 -1.0 2.0
   73    66    75    76   0.21250  1.0 3.0
   73    78    81    82  -0.11600  1.0 1.0
   73    78    81    82  -0.09450 -1.0 2.0
   73    78    81    82   0.21250  1.0 3.0
   74    73    77    47   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    47    53    54   0.23400  1.0 3.0
   77    47   -53    59   0.62750  1.0 1.0
   77    47   -53    59  -0.30950 -1.0 2.0
   77    47   -53    59   0.27300  1.0 3.0
   77    47    53    61   1.69300  1.0 1.0
   77    47    53    61  -0.48450 -1.0 2.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   3.69350  1.0 1.0
   77    73    78    81  -1.82950 -1.0 2.0
   78    73    77    47   0.06250  1.0 1.0
   78    73    77    47  -0.01100 -1.0 2.0
   78    73    77    47   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    66    73    74   0.23400  1.0 3.0
   75    66    73    77   3.69350  1.0 1.0
   75    66    73    77  -1.82950 -1.0 2.0
   75    66    73    78   0.86500  1.0 1.0
   75    66    73    78  -0.17500 -1.0 2.0
   75    66    73    78   0.20800  1.0 3.0
   68    59    66    67   0.23400  1.0 3.0
   68    59    66    73   0.86500  1.0 1.0
   68    59    66    73  -0.17500 -1.0 2.0
   68    59    66    73   0.20800  1.0 3.0
   68    59    66    75   3.75450  1.0 1.0
   61    53    59    60   0.19200  1.0 3.0
   61    53    59    66   1.36600  1.0 1.0
   61    53    59    66  -0.11450 -1.0 2.0
   61    53    59    66   0.24250  1.0 3.0
   61    53    59    68   1.69300  1.0 1.0
   61    53    59    68  -0.48450 -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
END
