* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    159    269     474
    1     0 S   NP   _N1_     1    28.81033    95.28843   -24.78323
    2     1 S   H    _HN1     2     1.02788   113.00513   -99.58663
    3     1 S   H    _H1_     3     1.02948    79.17379     5.92573
    4     1 S   H    _H2_     4     1.02828    28.39044   175.20699
    5     1 S   CT   _CA1     5     1.50122   127.27675   113.40659
    6     5 S   HC   _HA1     6     1.09573   105.17868    85.87669
    7     5 S   CO3  _C1_     7     1.53785   112.47868   -34.34140
    8     7 S   O2Z  _O11     8     1.26376   115.00207   -41.91926
    9     7 S   O2Z  _O12     9     1.26240   114.95018   137.16480
   10     5 S   CT   _CB1    10     1.53072   107.41354  -156.13237
   11    10 S   HC   HB11    11     1.09836   109.36134   -49.44224
   12    10 S   HC   HB12    12     1.09812   110.45279    67.16634
   13    10 S   CT   _CG1    13     1.52997   112.61883  -170.40122
   14    13 S   HC   HG11    14     1.09578   110.66666   -66.31585
   15    13 S   HC   HG12    15     1.09671   109.75333    52.92349
   16    13 S   C    _CD1    16     1.51803   112.15838   173.39028
   17    16 S   O    _OE1    17     1.22738   123.26173     8.90450
   18    16 S   N    _N2_    18     1.38649   111.72034  -171.19223
   19    18 S   H    _HN2    19     1.01578   118.94699     1.51878
   20    18 S   CT1  _CA2    20     1.46197   123.39041   177.28495
   21    20 S   HC   _HA2    21     1.09736   109.34195     4.69315
   22    20 S   C    _C2_    22     1.53584   108.72609  -110.83878
   23    22 S   O    _O2_    23     1.23072   122.23309  -148.16744
   24    20 S   CT   _CB2    32     1.53350   111.60587   126.70692
   25    24 S   HC   HB21    33     1.09512   109.82545    56.47864
   26    24 S   HC   HB22    34     1.09510   110.11578   175.59033
   27    22 S   N    _N3_    24     1.38311   113.78265    39.28097
   28    27 S   H    _HN3    25     1.01571   119.61040    -3.23416
   29    24 S   S    _SG2    35     1.82654   111.46979   -64.45442
   30    27 S   CT   _CA3    26     1.45285   123.23642   177.17458
   31    30 S   HC   HA31    27     1.09548   107.50825   -64.76312
   32    30 S   HC   HA32    28     1.09556   107.99226    51.68173
   33    29 S   CT   _C16    36     1.83870   100.15835  -171.97361
   34    33 S   HC   _H3_    37     1.09438   104.97699    54.05014
   35    30 S   CO3  _C3_    29     1.52967   114.06926   173.68838
   36    35 S   O2Z  _O31    30     1.26378   116.07597    -0.43069
   37    35 S   O2Z  _O32    31     1.26428   114.41144   179.62675
   38    33 S   CT   _C15    38     1.53956   114.13062   -60.00877
   39    38 S   HC   _H38    39     1.09705   108.50563    72.37869
   40    33 S   C4T  _C17    65     1.55673   110.12631   169.49891
   41    38 S   CT   _C10    40     1.53395   112.57745  -169.06651
   42    41 S   HC   _H32    41     1.09729   107.85675   176.13522
   43    41 S   HC   _H33    42     1.09470   110.33091   -67.50420
   44    40 S   C4T  _C13    66     1.59641   122.01364    57.18149
   45    44 S   HC   _H36    67     1.09873   111.90988  -109.43875
   46    49 S   C4T  _C18    71     1.48464   112.69484   -66.07391
   47    38 S   OH   _O20    76     1.42427   112.24711   -44.01536
   48    47 S   HO   _H43    77     0.97193   108.04295  -178.34247
   49    41 S   NTH0 _N17    43     1.45861   109.92998    57.37691
   50    44 S   C4T  _C8_    68     1.55238    88.58020   136.52725
   51    50 S   HC   _H28    69     1.09371   114.42587   101.06673
   52    50 S   HC   _H29    70     1.09654   114.59554  -138.26323
   53    44 S   CT   _C19    72     1.52361   125.73464    19.70654
   54    53 S   HC   _H40    73     1.09188   112.69547    58.40455
   55    53 S   HC   _H41    74     1.09265   111.43824   -64.50885
   56    53 S   HC   _H42    75     1.09617   109.83852   177.14083
   57    49 S   CT   _C9_    44     1.47529   114.03331   166.38723
   58    57 S   HC   _H30    45     1.09726   110.13678   -42.71972
   59    57 S   HC   _H31    46     1.09679   108.35758  -156.37949
   60    57 S   CT   _C5_    47     1.53499   116.21830    82.24294
   61    60 S   HC   _H22    48     1.09729   109.31105   -73.66505
   62    60 S   HC   _H23    49     1.09595   109.58897   169.61251
   63    60 S   CT   _C6_    50     1.53347   112.04681    47.84766
   64    63 S   HC   _H24    51     1.09586   110.33904    66.92229
   65    63 S   HC   _H25    52     1.09557   109.50291  -174.82524
   66    63 S   CT   _C12    53     1.52209   107.23068   -54.56732
   67    66 S   HC   _H35    54     1.09917   106.08239   -54.62505
   68    66 S   CT   _C14    55     1.53545   116.04369  -168.96533
   69    68 S   HC   _H37    56     1.09495   111.17192    51.68457
   70    68 S   CT   _C7_    57     1.51667   108.79402   174.26448
   71    70 S   HC   _H26    58     1.09154   113.42000   -48.00957
   72    70 S   HC   _H27    59     1.09823   110.13549  -168.94955
   73    70 S   CT   _C11    60     1.52117    99.08645    75.72550
   74    73 S   HC   _H34    61     1.09352   111.13343   159.80259
   75    73 S   CO4  _C4_    62     1.51686    96.83688    45.96822
   76    75 S   O    _O18    63     1.22019   126.47119   148.29146
   77    68 S   OS   _O19    64     1.42812   113.28202   -71.83636
  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
  20   8   2   1   1  12   7  26  12   5   4  15   9  21   2   1
  14  12   3   2   4   2   1   1   9   5   4   8   5   4   8   4
   3   9   4   9   6   7   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    73    40    44    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    49    66    70    73    74    75    40    44    45    50    46    53    47    48  
   38    39    41    73    40    44    46    47  
   36    37  
   37  
    0  
   39    41    42    43    49    57    73    40    44    46    47    48  
   41    42    43    49    40    47    48  
   44    45    50    51    52    46    53    54    55    56    47    41    49    57    63    66    67    68    70    71    72    73    74    75    76    77  
   42    43    49    57    58    59    60    66    50    46    47    48  
   43    49    57    46    47  
   49    57    46    47  
   45    50    51    52    46    53    54    55    56    49    66    70    73    74    75  
   50    51    52    46    53    54    55    56    73  
   53    49    50    51    52    57    58    59    60    63    64    65    66    67    68    69    70    73    74    75    77  
   48    49  
    0  
   57    58    59    60    61    62    63    66    67    68    73    50    51    52  
   51    52    53    54    55    56    57    63    66    67    68    73  
   52    53    66  
   53    66  
   54    55    56    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66    67    68  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70    77  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71    72    73    75    77  
   68    69    70    77  
   69    70    71    72    73    74    75    76    77  
   70    71    72    73    75    77  
   71    72    73    74    75    76    77  
   72    73    74    75    77  
   73    74    75    77  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.166300   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    40   260.000  1.519
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    47   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   310.000  1.447
   49    57   310.000  1.447
   49    46   310.000  1.447
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    46   260.000  1.519
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    77   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   317.000  1.522
   73    40   260.000  1.519
   75    76   570.000  1.229
   75    77   214.000  1.327
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    53   260.000  1.519
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    46   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   47    48   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    47    50.00000  109.50000
   33    40    73    58.35000  112.70000
   33    40    44    65.00000  119.52000
   33    40    46    65.00000  119.52000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    49    75.00000  113.73300
   38    47    48    55.00000  108.50000
   41    38    39    37.50000  110.70000
   41    49    57    80.00000  110.40700
   41    49    46    80.00000  110.40700
   43    41    42    33.00000  107.80000
   49    41    42    50.00000  110.15500
   49    41    43    50.00000  110.15500
   49    57    58    50.00000  110.15500
   49    57    59    50.00000  110.15500
   49    57    60    75.00000  113.73300
   49    46    66    75.00000  113.73300
   49    46    40    65.00000  120.10000
   49    46    50    65.00000  120.10000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    58.35000  112.70000
   63    66    46    70.00000  112.98000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    58.35000  112.70000
   66    68    77    50.00000  109.50000
   66    46    40    65.00000  119.52000
   66    46    50    65.00000  119.52000
   68    66    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    58.35000  112.70000
   68    77    75    83.00000  116.90000
   70    68    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    63.00000  111.10000
   70    73    40    70.00000  112.98000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    75    76    80.00000  120.40000
   73    75    77    81.00000  111.40000
   73    40    44    65.00000  119.52000
   73    40    46    65.00000  119.52000
   75    73    74    35.00000  109.50000
   77    68    69    35.00000  109.50000
   77    68    70    50.00000  109.50000
   77    75    76    83.00000  123.40000
   40    33    34    45.00000  111.22300
   40    33    38    70.00000  112.98000
   40    73    74    45.00000  111.22300
   40    73    75    63.00000  111.10000
   40    44    45    37.50000  110.70000
   40    44    50    63.00000   92.00000
   40    44    53    65.00000  119.52000
   40    46    50    63.00000   92.00000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    46    63.00000   92.00000
   44    53    54    45.00000  111.22300
   44    53    55    45.00000  111.22300
   44    53    56    45.00000  111.22300
   50    44    45    37.50000  110.70000
   52    50    51    33.00000  107.80000
   46    49    57    80.00000  110.40700
   46    66    67    45.00000  111.22300
   46    66    68    70.00000  112.98000
   46    40    44    63.00000   92.00000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   53    44    45    45.00000  112.72800
   53    44    50    65.00000  119.52000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   47    38    39    35.00000  109.50000
   47    38    41    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    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    38    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    49   1.53400  1.0 1.0
   33    38    41    49  -0.09950 -1.0 2.0
   33    38    41    49   0.05700  1.0 3.0
   33    38    47    48  -0.11600  1.0 1.0
   33    38    47    48  -0.09450 -1.0 2.0
   33    38    47    48   0.21250  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    50  -0.70950  1.0 1.0
   33    40    44    50   0.38400 -1.0 2.0
   33    40    44    53   0.56750  1.0 1.0
   33    40    44    53  -0.07550 -1.0 2.0
   33    40    44    53   0.20000  1.0 3.0
   33    40   -46    49   1.53400  1.0 1.0
   33    40   -46    49  -0.09950 -1.0 2.0
   33    40   -46    49   0.05700  1.0 3.0
   33    40    46    66   0.56750  1.0 1.0
   33    40    46    66  -0.07550 -1.0 2.0
   33    40    46    66   0.20000  1.0 3.0
   33    40   -46    50  -0.70950  1.0 1.0
   33    40   -46    50   0.38400 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    47   0.23400  1.0 3.0
   34    33    40    73   0.15000  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   34    33    40    46   0.00000  1.0 1.0
   38    33    40    73   0.56750  1.0 1.0
   38    33    40    73  -0.07550 -1.0 2.0
   38    33    40    73   0.20000  1.0 3.0
   38    33    40    44   0.04050  1.0 1.0
   38    33    40    44   0.63700 -1.0 2.0
   38    33    40    44   0.17650  1.0 3.0
   38    33    40    46   0.04050  1.0 1.0
   38    33    40    46   0.63700 -1.0 2.0
   38    33    40    46   0.17650  1.0 3.0
   38    41    49    57   1.99000  1.0 1.0
   38    41    49    57   0.18800 -1.0 2.0
   38    41    49    57   0.81350  1.0 3.0
   38    41   -49    46   1.99000  1.0 1.0
   38    41   -49    46   0.18800 -1.0 2.0
   38    41   -49    46   0.81350  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    47    48   0.19450  1.0 3.0
   41    38    47    48  -0.11600  1.0 1.0
   41    38    47    48  -0.09450 -1.0 2.0
   41    38    47    48   0.21250  1.0 3.0
   41    49    57    58   0.28000  1.0 3.0
   41    49    57    59   0.28000  1.0 3.0
   41    49    57    60   1.99000  1.0 1.0
   41    49    57    60   0.18800 -1.0 2.0
   41    49    57    60   0.81350  1.0 3.0
   41    49    46    66   1.99000  1.0 1.0
   41    49    46    66   0.18800 -1.0 2.0
   41    49    46    66   0.81350  1.0 3.0
   41    49    46    40   1.99000  1.0 1.0
   41    49    46    40   0.18800 -1.0 2.0
   41    49    46    40   0.81350  1.0 3.0
   41    49    46    50   1.99000  1.0 1.0
   41    49    46    50   0.18800 -1.0 2.0
   41    49    46    50   0.81350  1.0 3.0
   42    41    49    57   0.28000  1.0 3.0
   42    41    49    46   0.28000  1.0 3.0
   43    41    49    57   0.28000  1.0 3.0
   43    41    49    46   0.28000  1.0 3.0
   49    57    60    61   0.15000  1.0 3.0
   49    57    60    62   0.15000  1.0 3.0
   49    57    60    63   1.53400  1.0 1.0
   49    57    60    63  -0.09950 -1.0 2.0
   49    57    60    63   0.05700  1.0 3.0
   57    49    46    66   1.99000  1.0 1.0
   57    49    46    66   0.18800 -1.0 2.0
   57    49    46    66   0.81350  1.0 3.0
   57    49    46    40   1.99000  1.0 1.0
   57    49    46    40   0.18800 -1.0 2.0
   57    49    46    40   0.81350  1.0 3.0
   57    49    46    50   1.99000  1.0 1.0
   57    49    46    50   0.18800 -1.0 2.0
   57    49    46    50   0.81350  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60   -63    66   0.56750  1.0 1.0
   57    60   -63    66  -0.07550 -1.0 2.0
   57    60   -63    66   0.20000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.56750  1.0 1.0
   60    63    66    68  -0.07550 -1.0 2.0
   60    63    66    68   0.20000  1.0 3.0
   60    63    66    46   0.31550 -1.0 2.0
   60    63    66    46   0.11250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66    68    69   0.15000  1.0 3.0
   63    66    68    70   0.56750  1.0 1.0
   63    66    68    70  -0.07550 -1.0 2.0
   63    66    68    70   0.20000  1.0 3.0
   63    66    68    77   0.62750  1.0 1.0
   63    66    68    77  -0.30950 -1.0 2.0
   63    66    68    77   0.27300  1.0 3.0
   63    66   -46    49   1.53400  1.0 1.0
   63    66   -46    49  -0.09950 -1.0 2.0
   63    66   -46    49   0.05700  1.0 3.0
   63    66    46    40   0.04050  1.0 1.0
   63    66    46    40   0.63700 -1.0 2.0
   63    66    46    40   0.17650  1.0 3.0
   63    66    46    50   0.04050  1.0 1.0
   63    66    46    50   0.63700 -1.0 2.0
   63    66    46    50   0.17650  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    46   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    46   0.15000  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    72   0.15000  1.0 3.0
   66    68    70    73   0.56750  1.0 1.0
   66    68    70    73  -0.07550 -1.0 2.0
   66    68    70    73   0.20000  1.0 3.0
   66    68    77    75  -0.25900  1.0 1.0
   66    68    77    75  -0.47000 -1.0 2.0
   66    68    77    75   0.11750  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    77   0.23400  1.0 3.0
   67    66    46    49   0.15000  1.0 3.0
   67    66    46    40   0.00000  1.0 1.0
   67    66    46    50   0.00000  1.0 1.0
   68    66    46    49   1.53400  1.0 1.0
   68    66    46    49  -0.09950 -1.0 2.0
   68    66    46    49   0.05700  1.0 3.0
   68    66    46    40   0.04050  1.0 1.0
   68    66    46    40   0.63700 -1.0 2.0
   68    66    46    40   0.17650  1.0 3.0
   68    66    46    50   0.04050  1.0 1.0
   68    66    46    50   0.63700 -1.0 2.0
   68    66    46    50   0.17650  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70   -73    75  -0.95700  1.0 1.0
   68    70   -73    75  -0.18200 -1.0 2.0
   68    70   -73    75   0.29450  1.0 3.0
   68    70   -73    40   0.31550 -1.0 2.0
   68    70   -73    40   0.11250  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   0.15000  1.0 3.0
   69    68    77    75   0.08050  1.0 3.0
   70    68   -77    75  -0.25900  1.0 1.0
   70    68   -77    75  -0.47000 -1.0 2.0
   70    68   -77    75   0.11750  1.0 3.0
   70    73    75    76   0.30150 -1.0 2.0
   70    73   -75    77   0.36750  1.0 3.0
   70    73    40    33   0.56750  1.0 1.0
   70    73    40    33  -0.07550 -1.0 2.0
   70    73    40    33   0.20000  1.0 3.0
   70    73    40    44   0.04050  1.0 1.0
   70    73    40    44   0.63700 -1.0 2.0
   70    73    40    44   0.17650  1.0 3.0
   70    73    40    46   0.04050  1.0 1.0
   70    73    40    46   0.63700 -1.0 2.0
   70    73    40    46   0.17650  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75  -0.11250  1.0 3.0
   71    70    73    40   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75  -0.11250  1.0 3.0
   72    70    73    40   0.15000  1.0 3.0
   73    75   -77    68   1.63150  1.0 1.0
   73    75   -77    68   2.92000 -1.0 2.0
   73    40    44    45   0.15000  1.0 3.0
   73    40    44    50  -0.70950  1.0 1.0
   73    40    44    50   0.38400 -1.0 2.0
   73    40    44    53   0.56750  1.0 1.0
   73    40    44    53  -0.07550 -1.0 2.0
   73    40    44    53   0.20000  1.0 3.0
   73    40    46    49   1.53400  1.0 1.0
   73    40    46    49  -0.09950 -1.0 2.0
   73    40    46    49   0.05700  1.0 3.0
   73    40   -46    66   0.56750  1.0 1.0
   73    40   -46    66  -0.07550 -1.0 2.0
   73    40   -46    66   0.20000  1.0 3.0
   73    40   -46    50  -0.70950  1.0 1.0
   73    40   -46    50   0.38400 -1.0 2.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    44   0.00000  1.0 1.0
   74    73    40    46   0.00000  1.0 1.0
   75    73    40    33  -0.95700  1.0 1.0
   75    73    40    33  -0.18200 -1.0 2.0
   75    73    40    33   0.29450  1.0 3.0
   75    73    40    44  -0.95700  1.0 1.0
   75    73    40    44  -0.18200 -1.0 2.0
   75    73    40    44   0.29450  1.0 3.0
   75    73    40    46  -0.95700  1.0 1.0
   75    73    40    46  -0.18200 -1.0 2.0
   75    73    40    46   0.29450  1.0 3.0
   76    75    77    68   3.00000 -1.0 2.0
   77    68    70    71   0.23400  1.0 3.0
   77    68    70    72   0.23400  1.0 3.0
   77    68   -70    73   0.62750  1.0 1.0
   77    68   -70    73  -0.30950 -1.0 2.0
   77    68   -70    73   0.27300  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41   0.31550 -1.0 2.0
   40    33   -38    41   0.11250  1.0 3.0
   40    33    38    47   0.86500  1.0 1.0
   40    33    38    47  -0.17500 -1.0 2.0
   40    33    38    47   0.20800  1.0 3.0
   40    73    75    76   0.30150 -1.0 2.0
   40    73    75    77   0.36750  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    52   0.15000  1.0 3.0
   40    44   -50    46   0.00000  1.0 1.0
   40    44    53    54   0.00000  1.0 1.0
   40    44    53    55   0.00000  1.0 1.0
   40    44    53    56   0.00000  1.0 1.0
   44    40    46    49   1.53400  1.0 1.0
   44    40    46    49  -0.09950 -1.0 2.0
   44    40    46    49   0.05700  1.0 3.0
   44    40    46    66  -0.70950  1.0 1.0
   44    40    46    66   0.38400 -1.0 2.0
   44    40   -46    50   0.00000  1.0 1.0
   44    50   -46    49   1.53400  1.0 1.0
   44    50   -46    49  -0.09950 -1.0 2.0
   44    50   -46    49   0.05700  1.0 3.0
   44    50   -46    66  -0.70950  1.0 1.0
   44    50   -46    66   0.38400 -1.0 2.0
   44    50   -46    40   0.00000  1.0 1.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    46   0.15000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    55   0.15000  1.0 3.0
   45    44    53    56   0.15000  1.0 3.0
   50    44    53    54   0.00000  1.0 1.0
   50    44    53    55   0.00000  1.0 1.0
   50    44    53    56   0.00000  1.0 1.0
   51    50    46    49   0.15000  1.0 3.0
   51    50    46    66   0.15000  1.0 3.0
   51    50   -46    40   0.15000  1.0 3.0
   52    50    46    49   0.15000  1.0 3.0
   52    50    46    66   0.15000  1.0 3.0
   52    50   -46    40   0.15000  1.0 3.0
   46    49    57    58   0.28000  1.0 3.0
   46    49    57    59   0.28000  1.0 3.0
   46    49   -57    60   1.99000  1.0 1.0
   46    49   -57    60   0.18800 -1.0 2.0
   46    49   -57    60   0.81350  1.0 3.0
   46    66    68    69   0.15000  1.0 3.0
   46    66   -68    70   0.31550 -1.0 2.0
   46    66   -68    70   0.11250  1.0 3.0
   46    66    68    77   0.62750  1.0 1.0
   46    66    68    77  -0.30950 -1.0 2.0
   46    66    68    77   0.27300  1.0 3.0
   46    40   -44    45   0.15000  1.0 3.0
   46    40   -44    50   0.00000  1.0 1.0
   46    40    44    53  -0.70950  1.0 1.0
   46    40    44    53   0.38400 -1.0 2.0
   53    44    50    51   0.15000  1.0 3.0
   53    44    50    52   0.15000  1.0 3.0
   53    44   -50    46  -0.70950  1.0 1.0
   53    44   -50    46   0.38400 -1.0 2.0
   47    38    41    42   0.23400  1.0 3.0
   47    38    41    43   0.23400  1.0 3.0
   47    38    41    49   3.18500  1.0 1.0
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
   73    77    75    76  10.50000 -1.0 2.0
END
