* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    151    236     440
    1     0 S   NP   _N1_     1    28.84898    94.89095   -25.63419
    2     1 S   H    _HN1     2     1.02948    76.10240    14.55898
    3     1 S   H    _H1_     3     1.02827    31.01144  -167.99626
    4     1 S   H    _H2_     4     1.02786   117.49596   -89.16142
    5     1 S   CT   _CA1     5     1.50115   124.46252   119.96940
    6     5 S   HC   _HA1     6     1.09572   105.19461    90.85938
    7     5 S   CO3  _C1_     7     1.53775   112.44480   -29.39725
    8     7 S   O2Z  _O11     8     1.26374   115.00438   -42.78548
    9     7 S   O2Z  _O12     9     1.26230   114.93640   136.31035
   10     5 S   CT   _CB1    10     1.53066   107.42173  -151.14096
   11    10 S   HC   HB11    11     1.09836   109.37410   -49.49239
   12    10 S   HC   HB12    12     1.09813   110.44586    67.10632
   13    10 S   CT   _CG1    13     1.53006   112.62868  -170.45017
   14    13 S   HC   HG11    14     1.09581   110.68456   -65.86894
   15    13 S   HC   HG12    15     1.09668   109.76569    53.38811
   16    13 S   C    _CD1    16     1.51799   112.11320   173.86228
   17    16 S   O    _OE1    17     1.22738   123.24393     8.73685
   18    16 S   N    _N2_    18     1.38648   111.74248  -171.44370
   19    18 S   H    _HN2    19     1.01582   118.94785     1.85372
   20    18 S   CT1  _CA2    20     1.46218   123.32961   177.32936
   21    20 S   HC   _HA2    21     1.09731   109.38892     3.26387
   22    20 S   C    _C2_    22     1.53551   108.60838  -112.26873
   23    22 S   O    _O2_    23     1.23060   122.26812  -147.70914
   24    20 S   CT   _CB2    32     1.53248   111.54237   125.30803
   25    24 S   HC   HB21    33     1.09541   110.01769    56.82735
   26    24 S   HC   HB22    34     1.09527   110.28012   175.71925
   27    22 S   N    _N3_    24     1.38324   113.71624    39.69521
   28    27 S   H    _HN3    25     1.01579   119.58555    -3.20528
   29    24 S   S    _SG2    35     1.82876   111.55251   -64.70982
   30    27 S   CT   _CA3    26     1.45282   123.22800   177.20453
   31    30 S   HC   HA31    27     1.09548   107.50827   -64.78007
   32    30 S   HC   HA32    28     1.09556   107.99166    51.66391
   33    29 S   CT   _C10    36     1.84423    99.27194   173.68605
   34    33 S   HC   _H3_    37     1.09573   104.78120    36.37556
   35    30 S   CO3  _C3_    29     1.52964   114.06952   173.67287
   36    35 S   O2Z  _O31    30     1.26377   116.06925    -0.36045
   37    35 S   O2Z  _O32    31     1.26427   114.41152   179.69545
   38    33 S   CM   _C5_    38     1.53931   115.00591   -83.45458
   39    33 S   CT   _C12    52     1.54006   108.79574   152.15291
   40    39 S   HC   _H31    53     1.09821   109.96934    64.22671
   41    38 S   CM   _C4_    39     1.34875   123.70402     0.84580
   42    41 S   HC   _H25    40     1.08355   122.96509    -2.67562
   43    39 S   OH   _O22    54     1.42998   110.44427   -54.17277
   44    43 S   HO   _H45    55     0.97295   107.80668  -176.94143
   45    41 S   CO4  _C6_    41     1.47961   124.10652   175.13772
   46    45 S   O    _O18    42     1.22429   120.93721   175.36434
   47    45 S   C3T  _C15    43     1.48235   115.64591    -5.43884
   48    47 S   CT   _C9_    44     1.50497   115.93626    32.86465
   49    48 S   HC   _H27    45     1.09433   111.60841  -173.46070
   50    48 S   HC   _H28    46     1.09836   106.39325    71.33190
   51    47 S   C3T  _C16    71     1.54891   121.21138  -166.44548
   52    38 S   CT   _C14    47     1.54969   114.38145  -179.82306
   53    47 S   O3T  _O21    72     1.43599   113.07115  -101.84596
   54    51 S   CO4  _C7_    73     1.48635   119.49503    -1.03458
   55    54 S   O    _O19    74     1.22483   121.16820  -104.35967
   56    54 S   HC   _H26    75     1.10288   116.89178    76.47937
   57    51 S   CT   _C20    76     1.50510   120.43179  -161.91210
   58    57 S   HC   _H42    77     1.09463   112.49132   -52.39247
   59    57 S   HC   _H43    78     1.09543   110.52916  -171.73364
   60    57 S   HC   _H44    79     1.09447   110.10711    69.06951
   61    52 S   CT   _C11    48     1.58087   109.53372    49.84401
   62    61 S   HC   _H30    49     1.10104   106.69640    68.44636
   63    52 S   CT   _C19    67     1.54832   107.93662   -73.73292
   64    63 S   HC   _H39    68     1.09508   111.70574  -174.72842
   65    63 S   HC   _H40    69     1.09220   113.10051    64.03726
   66    63 S   HC   _H41    70     1.09603   111.26917   -55.27954
   67    61 S   CT   _C13    50     1.54411   114.79369   -47.65776
   68    67 S   HC   _H32    51     1.09805   108.44728   171.31420
   69    61 S   CT   _C18    63     1.53875   113.74158  -174.80092
   70    69 S   HC   _H36    64     1.09398   112.20738    62.87341
   71    69 S   HC   _H37    65     1.09352   111.70351   -58.87078
   72    69 S   HC   _H38    66     1.09597   110.29071  -177.45132
   73    67 S   OS   _O23    56     1.44565   109.25919   -69.94606
   74    73 S   CO4  _C8_    57     1.36223   118.20662  -142.28210
   75    74 S   O    _O20    58     1.22314   126.52025    -0.00000
   76    74 S   CT   _C17    59     1.49825   109.37698  -179.85598
   77    76 S   HC   _H33    60     1.09295   109.81833   -60.48953
   78    76 S   HC   _H34    61     1.09374   109.37767  -179.53312
   79    76 S   HC   _H35    62     1.09293   109.79639    61.37795
  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
  16   7   2   1   1  20  12   6  10   4   5   1  10   4  15  15
   6   5   9  14   7   6   2   1   3   2   1   1  13   8   5   2
   1   1   9   3   4   2   1   1   6   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    52    67    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    48    52    61    67    68    39    40    43    44    73    63  
   38    41    52    67    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    47    48    49    50    52    61    62    67    39    40    43    69    63    64    65    66  
   40    43    44    73    74    69    41    52    61    62    67    68  
   43    44    73    61    67    68  
   42    45    46    47    48    52    61    63    51    53  
   45    46    47    52  
   44    73    61    67    68  
   67  
   46    47    48    49    50    52    51    53    54    57  
   47    48    51    53  
   48    49    50    52    61    63    51    53    54    55    56    57    58    59    60  
   49    50    52    61    62    67    69    63    64    65    66    51    53    54    57  
   50    52    61    63    51    53  
   52    61    63    51    53  
   53    54    55    56    57    58    59    60    52  
   61    62    67    68    73    69    70    71    72    63    64    65    66    53  
   54    55    56    57    58    59    60  
   55    56    57    58    59    60  
   56    57  
   57  
   58    59    60  
   59    60  
   60  
    0  
   62    67    68    73    74    69    70    71    72    63    64    65    66  
   67    68    73    69    70    71    72    63  
   64    65    66    67    69  
   65    66  
   66  
    0  
   68    73    74    75    76    69    70    71    72  
   73    74    69  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    76    77    78    79  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   54   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   56   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   549.000  1.340
   38    52   317.000  1.510
   41    42   340.000  1.080
   41    45   320.000  1.462
   45    46   570.000  1.229
   45    47   290.000  1.496
   47    48   275.000  1.510
   47    51   260.000  1.509
   47    53   335.000  1.432
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    61   268.000  1.529
   52    63   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    69   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   67    73   320.000  1.410
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   51    53   335.000  1.432
   51    54   290.000  1.496
   51    57   275.000  1.510
   54    55   570.000  1.229
   54    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
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    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    52    65.00000  117.92700
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    65.00000  118.96000
   38    52    48    70.00000  112.02700
   38    52    61    70.00000  112.02700
   38    52    63    70.00000  112.02700
   41    45    46    80.00000  123.72100
   41    45    47    65.00000  118.62400
   45    41    42    40.00000  117.72500
   45    47    48    63.00000  111.10000
   45    47    51    65.00000  117.18000
   45    47    53    80.00000  114.91000
   47    45    46    75.00000  121.36600
   47    48    49    45.00000  109.38400
   47    48    50    45.00000  109.38400
   47    48    52    70.00000  112.37300
   47    51    53    15.00000   60.43100
   47    51    54    65.00000  117.18000
   47    51    57    60.00000  120.94000
   47    53    51    15.00000   59.14900
   48    52    61    58.35000  112.70000
   48    52    63    58.35000  112.70000
   50    48    49    33.00000  107.80000
   52    38    41    70.00000  124.00000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    61    62    37.50000  110.70000
   52    61    67    58.35000  112.70000
   52    61    69    58.35000  112.70000
   52    63    64    37.50000  110.70000
   52    63    65    37.50000  110.70000
   52    63    66    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    39    58.35000  112.70000
   61    67    73    50.00000  109.50000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   67    61    62    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    43    50.00000  109.50000
   67    73    74    83.00000  116.90000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   73    67    68    35.00000  109.50000
   73    67    39    50.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    35.00000  109.50000
   76    74    75    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    67    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   63    52    61    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   51    47    48    60.00000  120.94000
   51    54    55    75.00000  121.36600
   51    54    56    40.00000  115.82000
   51    57    58    45.00000  109.38400
   51    57    59    45.00000  109.38400
   51    57    60    45.00000  109.38400
   53    47    48    80.00000  116.47100
   53    47    51    15.00000   60.43100
   54    51    53    80.00000  114.91000
   56    54    55    35.00000  123.00000
   57    51    53    80.00000  116.47100
   57    51    54    63.00000  111.10000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    52   0.30250  1.0 1.0
   29    33    38    52  -0.14950 -1.0 2.0
   29    33    38    52   0.36900  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    52    48   0.46850  1.0 1.0
   33    38    52    48   0.08550 -1.0 2.0
   33    38    52    48   0.09800  1.0 3.0
   33    38    52    61   0.46850  1.0 1.0
   33    38    52    61   0.08550 -1.0 2.0
   33    38    52    61   0.09800  1.0 3.0
   33    38    52    63   0.46850  1.0 1.0
   33    38    52    63   0.08550 -1.0 2.0
   33    38    52    63   0.09800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    52   0.34800  1.0 3.0
   34    33    39    67   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    45    46   1.00000 -1.0 2.0
   38    41    45    47  -0.33500  1.0 1.0
   38    41    45    47   1.06600 -1.0 2.0
   38    41    45    47  -0.14000  1.0 3.0
   38    52    61    62   0.15000  1.0 3.0
   38    52   -61    67   0.34400  1.0 1.0
   38    52   -61    67   0.09450 -1.0 2.0
   38    52   -61    67   0.11100  1.0 3.0
   38    52    61    69   0.34400  1.0 1.0
   38    52    61    69   0.09450 -1.0 2.0
   38    52    61    69   0.11100  1.0 3.0
   38    52    63    64   0.15000  1.0 3.0
   38    52    63    65   0.15000  1.0 3.0
   38    52    63    66   0.15000  1.0 3.0
   41    38    52    48   0.09850  1.0 1.0
   41    38    52    48   0.15250 -1.0 2.0
   41    38    52    48  -0.50650  1.0 3.0
   41    38    52    61   0.09850  1.0 1.0
   41    38    52    61   0.15250 -1.0 2.0
   41    38    52    61  -0.50650  1.0 3.0
   41    38    52    63   0.09850  1.0 1.0
   41    38    52    63   0.15250 -1.0 2.0
   41    38    52    63  -0.50650  1.0 3.0
   41    45   -47    48   0.65300  1.0 1.0
   41    45   -47    48  -0.03850 -1.0 2.0
   41    45   -47    48   0.33900  1.0 3.0
   41    45    47    51   0.65300  1.0 1.0
   41    45    47    51  -0.03850 -1.0 2.0
   41    45    47    51   0.33900  1.0 3.0
   41    45    47    53   0.65300  1.0 1.0
   41    45    47    53  -0.03850 -1.0 2.0
   41    45    47    53   0.33900  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.04550  1.0 1.0
   42    41    45    47   0.83000 -1.0 2.0
   42    41    45    47  -0.04000  1.0 3.0
   45    47    48    49  -0.11250  1.0 3.0
   45    47    48    50  -0.11250  1.0 3.0
   45    47    48    52  -0.95700  1.0 1.0
   45    47    48    52  -0.18200 -1.0 2.0
   45    47    48    52   0.29450  1.0 3.0
   45    47   -51    53  -0.09450  1.0 1.0
   45    47   -51    53  -1.12950 -1.0 2.0
   45    47   -51    53   0.54000  1.0 3.0
   45    47    51    54   0.11950  1.0 1.0
   45    47    51    54   0.20300 -1.0 2.0
   45    47    51    54  -0.70800  1.0 3.0
   45    47    51    57  -0.95700  1.0 1.0
   45    47    51    57  -0.18200 -1.0 2.0
   45    47    51    57   0.29450  1.0 3.0
   45    47   -53    51  -1.11000  1.0 1.0
   45    47   -53    51   0.50250 -1.0 2.0
   45    47   -53    51   0.47450  1.0 3.0
   46    45    47    48   0.30150 -1.0 2.0
   46    45    47    51   0.30150 -1.0 2.0
   46    45    47    53   0.30150 -1.0 2.0
   47    48   -52    38   0.34400  1.0 1.0
   47    48   -52    38   0.09450 -1.0 2.0
   47    48   -52    38   0.11100  1.0 3.0
   47    48    52    61   0.47050  1.0 1.0
   47    48    52    61   0.03900 -1.0 2.0
   47    48    52    61   0.20100  1.0 3.0
   47    48    52    63   0.47050  1.0 1.0
   47    48    52    63   0.03900 -1.0 2.0
   47    48    52    63   0.20100  1.0 3.0
   47    51    54    55   0.30150 -1.0 2.0
   47    51    54    56   0.74550  1.0 1.0
   47    51    54    56  -0.00500 -1.0 2.0
   47    51    57    58   0.15000  1.0 3.0
   47    51    57    59   0.15000  1.0 3.0
   47    51    57    60   0.15000  1.0 3.0
   48    47   -51    53   0.02550  1.0 1.0
   48    47   -51    53  -0.02600 -1.0 2.0
   48    47   -51    53   1.20400  1.0 3.0
   48    47    51    54  -0.95700  1.0 1.0
   48    47    51    54  -0.18200 -1.0 2.0
   48    47    51    54   0.29450  1.0 3.0
   48    47    51    57   0.56750  1.0 1.0
   48    47    51    57  -0.07550 -1.0 2.0
   48    47    51    57   0.20000  1.0 3.0
   48    47   -53    51   0.06250  1.0 1.0
   48    47   -53    51  -0.01100 -1.0 2.0
   48    47   -53    51   0.28050  1.0 3.0
   48    52    61    62   0.15000  1.0 3.0
   48    52    61    67   0.56750  1.0 1.0
   48    52    61    67  -0.07550 -1.0 2.0
   48    52    61    67   0.20000  1.0 3.0
   48    52    61    69   0.56750  1.0 1.0
   48    52    61    69  -0.07550 -1.0 2.0
   48    52    61    69   0.20000  1.0 3.0
   48    52    63    64   0.15000  1.0 3.0
   48    52    63    65   0.15000  1.0 3.0
   48    52    63    66   0.15000  1.0 3.0
   49    48    52    38   0.15000  1.0 3.0
   49    48    52    61   0.15000  1.0 3.0
   49    48    52    63   0.15000  1.0 3.0
   50    48    52    38   0.15000  1.0 3.0
   50    48    52    61   0.15000  1.0 3.0
   50    48    52    63   0.15000  1.0 3.0
   52    38    41    42   7.00000 -1.0 2.0
   52    38   -41    45   7.00000 -1.0 2.0
   52    61    67    68   0.15000  1.0 3.0
   52    61    67    39   0.56750  1.0 1.0
   52    61    67    39  -0.07550 -1.0 2.0
   52    61    67    39   0.20000  1.0 3.0
   52    61    67    73   0.62750  1.0 1.0
   52    61    67    73  -0.30950 -1.0 2.0
   52    61    67    73   0.27300  1.0 3.0
   52    61    69    70   0.15000  1.0 3.0
   52    61    69    71   0.15000  1.0 3.0
   52    61    69    72   0.15000  1.0 3.0
   61    52    63    64   0.15000  1.0 3.0
   61    52    63    65   0.15000  1.0 3.0
   61    52    63    66   0.15000  1.0 3.0
   61    67   -39    33   0.56750  1.0 1.0
   61    67   -39    33  -0.07550 -1.0 2.0
   61    67   -39    33   0.20000  1.0 3.0
   61    67    39    40   0.15000  1.0 3.0
   61    67    39    43   0.86500  1.0 1.0
   61    67    39    43  -0.17500 -1.0 2.0
   61    67    39    43   0.20800  1.0 3.0
   61    67    73    74  -0.25900  1.0 1.0
   61    67    73    74  -0.47000 -1.0 2.0
   61    67    73    74   0.11750  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    39   0.15000  1.0 3.0
   62    61    67    73   0.23400  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    72   0.15000  1.0 3.0
   67    61    69    70   0.15000  1.0 3.0
   67    61    69    71   0.15000  1.0 3.0
   67    61    69    72   0.15000  1.0 3.0
   67    39    43    44  -0.11600  1.0 1.0
   67    39    43    44  -0.09450 -1.0 2.0
   67    39    43    44   0.21250  1.0 3.0
   67    73    74    75   3.00000 -1.0 2.0
   67    73    74    76   1.63150  1.0 1.0
   67    73    74    76   2.92000 -1.0 2.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.23400  1.0 3.0
   68    67    73    74   0.08050  1.0 3.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33   -38    52   0.46850  1.0 1.0
   39    33   -38    52   0.08550 -1.0 2.0
   39    33   -38    52   0.09800  1.0 3.0
   39    67    73    74  -0.25900  1.0 1.0
   39    67    73    74  -0.47000 -1.0 2.0
   39    67    73    74   0.11750  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   73    67    39    33   0.62750  1.0 1.0
   73    67    39    33  -0.30950 -1.0 2.0
   73    67    39    33   0.27300  1.0 3.0
   73    67    39    40   0.23400  1.0 3.0
   73    67    39    43   3.69350  1.0 1.0
   73    67    39    43  -1.82950 -1.0 2.0
   73    74    76    77   0.00000  1.0 1.0
   73    74    76    78   0.00000  1.0 1.0
   73    74    76    79   0.00000  1.0 1.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.00000  1.0 1.0
   69    61    67    68   0.15000  1.0 3.0
   69    61    67    39   0.56750  1.0 1.0
   69    61    67    39  -0.07550 -1.0 2.0
   69    61    67    39   0.20000  1.0 3.0
   69    61    67    73   0.62750  1.0 1.0
   69    61    67    73  -0.30950 -1.0 2.0
   69    61    67    73   0.27300  1.0 3.0
   63    52    61    62   0.15000  1.0 3.0
   63    52    61    67   0.56750  1.0 1.0
   63    52    61    67  -0.07550 -1.0 2.0
   63    52    61    67   0.20000  1.0 3.0
   63    52    61    69   0.56750  1.0 1.0
   63    52    61    69  -0.07550 -1.0 2.0
   63    52    61    69   0.20000  1.0 3.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    52   0.07850  1.0 1.0
   51    47    48    52  -0.03950 -1.0 2.0
   51    47    48    52   0.67350  1.0 3.0
   53    47    48    49   0.23400  1.0 3.0
   53    47    48    50   0.23400  1.0 3.0
   53    47    48    52   0.02550  1.0 1.0
   53    47    48    52  -0.02600 -1.0 2.0
   53    47    48    52   1.20400  1.0 3.0
   53    47   -51    54  -0.09450  1.0 1.0
   53    47   -51    54  -1.12950 -1.0 2.0
   53    47   -51    54   0.54000  1.0 3.0
   53    47   -51    57   0.02550  1.0 1.0
   53    47   -51    57  -0.02600 -1.0 2.0
   53    47   -51    57   1.20400  1.0 3.0
   53    51    54    55   0.30150 -1.0 2.0
   53    51    54    56   0.00000  1.0 1.0
   53    51    57    58   0.23400  1.0 3.0
   53    51    57    59   0.23400  1.0 3.0
   53    51    57    60   0.23400  1.0 3.0
   54    51   -53    47  -1.11000  1.0 1.0
   54    51   -53    47   0.50250 -1.0 2.0
   54    51   -53    47   0.47450  1.0 3.0
   54    51    57    58  -0.11250  1.0 3.0
   54    51    57    59  -0.11250  1.0 3.0
   54    51    57    60  -0.11250  1.0 3.0
   57    51   -53    47   0.06250  1.0 1.0
   57    51   -53    47  -0.01100 -1.0 2.0
   57    51   -53    47   0.28050  1.0 3.0
   57    51    54    55   0.30150 -1.0 2.0
   57    51    54    56   0.74550  1.0 1.0
   57    51    54    56  -0.00500 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    52    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   41    47    45    46  10.50000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   51    56    54    55  10.50000 -1.0 2.0
END
