* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    167    254     495
    1     0 S   NP   _N1_     1    28.88147    95.76439   -20.94959
    2     1 S   H    _HN1     2     1.02780    85.60871   -80.51851
    3     1 S   H    _H1_     3     1.02954    82.94849    28.56850
    4     1 S   H    _H2_     4     1.02832    40.70147   155.33359
    5     1 S   CT   _CA1     5     1.50096   151.33159   149.03733
    6     5 S   HC   _HA1     6     1.09584   105.23022    63.59783
    7     5 S   CO3  _C1_     7     1.53793   112.27007   -56.51225
    8     7 S   O2Z  _O11     8     1.26344   115.04304   -47.98203
    9     7 S   O2Z  _O12     9     1.26239   114.88925   131.07863
   10     5 S   CT   _CB1    10     1.53089   107.39970  -178.67544
   11    10 S   HC   HB11    11     1.09819   109.31575   -51.94835
   12    10 S   HC   HB12    12     1.09819   110.47957    64.62922
   13    10 S   CT   _CG1    13     1.52941   112.55379  -173.08809
   14    13 S   HC   HG11    14     1.09504   110.20156   -63.75191
   15    13 S   HC   HG12    15     1.09648   110.09251    55.40338
   16    13 S   C    _CD1    16     1.51769   112.40977   175.83139
   17    16 S   O    _OE1    17     1.22728   123.28233    -4.26724
   18    16 S   N    _N2_    18     1.38605   111.62155   176.06677
   19    18 S   H    _HN2    19     1.01611   118.98898     0.87760
   20    18 S   CT1  _CA2    20     1.46236   123.44036   179.67615
   21    20 S   HC   _HA2    21     1.09733   109.33496   -11.37027
   22    20 S   C    _C2_    22     1.53395   108.46262  -126.91808
   23    22 S   O    _O2_    23     1.23030   122.36426  -149.16626
   24    20 S   CT   _CB2    32     1.53358   111.35899   110.77403
   25    24 S   HC   HB21    33     1.09563   109.57948    54.69391
   26    24 S   HC   HB22    34     1.09472   110.61658   173.47195
   27    22 S   N    _N3_    24     1.38366   113.49282    38.46706
   28    27 S   H    _HN3    25     1.01645   119.49419    -3.79720
   29    24 S   S    _SG2    35     1.82979   111.40619   -67.01932
   30    27 S   CT   _CA3    26     1.45284   123.09993   177.00736
   31    30 S   HC   HA31    27     1.09553   107.56296   -62.74219
   32    30 S   HC   HA32    28     1.09559   107.89897    53.65329
   33    29 S   CT   _C11    36     1.84267   100.02727   152.70039
   34    33 S   HC   _H3_    37     1.09339   105.45990   -42.51962
   35    30 S   CO3  _C3_    29     1.52927   114.15053   175.58936
   36    35 S   O2Z  _O31    30     1.26363   116.06122    -1.18779
   37    35 S   O2Z  _O32    31     1.26431   114.41630   178.84818
   38    33 S   CT   _C12    38     1.55774   112.77191  -158.73052
   39    38 S   HC   _H4_    39     1.10065   107.07398  -173.85021
   40    33 S   CT   _C10    70     1.53483   109.39105    73.91061
   41    40 S   HC   _H18    71     1.09656   111.69265   -48.68080
   42    40 S   HC   _H19    72     1.09501   111.64827    70.21491
   43    38 S   CT   _C16    40     1.55054   113.19659    67.40369
   44    43 S   HC   _H6_    41     1.09563   111.25267   -45.66596
   45    40 S   CO4  _C9_    73     1.52144   112.39538  -167.43048
   46    45 S   O    _O33    74     1.23088   120.77456  -117.49805
   47    43 S   CO4  _C15    42     1.51771   101.29647  -159.47436
   48    47 S   O    _O34    43     1.22511   124.35348  -166.77577
   49    43 S   CT   _C17    51     1.53079   111.95231    80.79405
   50    49 S   HC   _H22    52     1.09771   110.62827    81.60298
   51    49 S   HC   _H23    53     1.09427   110.45718   -34.58966
   52    45 S   CT   _C8_    75     1.52152   116.87116    62.40270
   53    52 S   HC   _H16    76     1.09583   108.09264    43.24541
   54    52 S   HC   _H17    77     1.09471   108.18353   -74.12717
   55    47 S   CT   _C14    44     1.50412   112.55614    13.17826
   56    55 S   HC   _H20    45     1.09294   110.89198   129.58220
   57    55 S   HC   _H21    46     1.09408   109.71438  -108.77884
   58    49 S   CM   _C18    54     1.50334   112.59500  -157.52178
   59    58 S   HC   _H24    55     1.08817   116.33043   -81.44362
   60    52 S   CT   _C7_    78     1.52623   112.75439   164.47432
   61    60 S   HC   _H14    79     1.09697   109.70194   -57.81147
   62    60 S   HC   _H15    80     1.09700   109.78942    59.24697
   63    38 S   CT   _C13    47     1.53906   116.90037   -53.41449
   64    63 S   HC   _H5_    48     1.09427   112.60990    46.06046
   65    58 S   CM   _C19    56     1.34299   125.66705   100.92598
   66    65 S   HC   _H25    57     1.08822   117.93625   177.51187
   67    60 S   CT   _C6_    81     1.52923   110.90680  -179.41583
   68    67 S   HC   _H12    82     1.09685   109.47914   -58.49937
   69    67 S   HC   _H13    83     1.09680   109.53797    58.70506
   70    63 S   OH   _O37    49     1.41708   110.58062   -76.02529
   71    70 S   HO   _H32    50     0.97255   107.59846  -176.08348
   72    65 S   CT   _C20    58     1.50175   125.90665    -5.07725
   73    72 S   HC   _H26    59     1.09702   108.43000  -148.39005
   74    72 S   HC   _H27    60     1.09538   110.04718   -33.33247
   75    67 S   CT   _C5_    84     1.52761   111.55205  -179.86438
   76    75 S   HC   _H10    85     1.09616   109.88705   -59.00585
   77    75 S   HC   _H11    86     1.09617   109.89206    58.78563
   78    72 S   CT   _C21    61     1.52887   112.55104    90.14666
   79    78 S   HC   _H28    62     1.09732   109.74319    63.56216
   80    78 S   HC   _H29    63     1.09716   110.13117   -53.55022
   81    75 S   CT   _C4_    87     1.52054   111.35324   179.88131
   82    81 S   HC   _H7_    88     1.09475   110.99694   -60.24389
   83    81 S   HC   _H8_    89     1.09473   110.99837    60.22712
   84    81 S   HC   _H9_    90     1.09446   110.27074   180.00000
   85    78 S   CT   _C22    64     1.52623   111.02008  -174.75719
   86    85 S   HC   _H30    65     1.09755   109.34676    56.13724
   87    85 S   HC   _H31    66     1.09697   109.51336   -61.14045
   88    85 S   CO3  _C23    67     1.53160   115.33754   177.13802
   89    88 S   O2Z  _O36    68     1.26514   113.99353  -176.11395
   90    88 S   O2Z  _O35    69     1.26109   116.69408     3.74403
  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
  17   8   2   1   1  20   9  10   4   3  15   8   8   4  11   5
   9   4   3   9   5   4   6   4   3   7   3   9   5   4   3   2
   8   4   9   5   4   1   1   9   5   4   6   5   4   8   5   4
   3   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    63    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    55    63    64    70    49    40    41    42    45    46    52  
   38    39    43    63    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    55    56    57    63    64    70    71    49    50    51    58    40    41    42    45  
   43    44    47    55    63    64    70    49    40  
   41    42    45    46    52    53    54    60    43    63  
   42    45    46    52  
   45    46    52  
   44    47    48    55    56    57    63    64    70    49    50    51    58    59    65  
   47    48    55    63    49    50    51    58  
   46    52    53    54    60    61    62    67  
   52    53    54    60  
   48    55    56    57    63    64    70    49    50    51    58  
   55    56    57    63    49  
   50    51    58    59    65    66    72    55    63  
   51    58    59    65  
   58    59    65  
   53    54    60    61    62    67    68    69    75  
   54    60    61    62    67  
   60    61    62    67  
   56    57    63    64    70    71  
   57    63    64    70  
   63    64    70  
   59    65    66    72    73    74    78  
   65    66    72  
   61    62    67    68    69    75    76    77    81  
   62    67    68    69    75  
   67    68    69    75  
   64    70    71  
   70    71  
   66    72    73    74    78    79    80    85  
   72    73    74    78  
   68    69    75    76    77    81    82    83    84  
   69    75    76    77    81  
   75    76    77    81  
   71  
    0  
   73    74    78    79    80    85    86    87    88  
   74    78    79    80    85  
   78    79    80    85  
   76    77    81    82    83    84  
   77    81    82    83    84  
   81    82    83    84  
   79    80    85    86    87    88    89    90  
   80    85    86    87    88  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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  -0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   268.000  1.529
   38    39   340.000  1.090
   38    43   268.000  1.529
   38    63   268.000  1.529
   43    44   340.000  1.090
   43    47   317.000  1.522
   43    49   268.000  1.529
   47    48   570.000  1.229
   47    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    70   320.000  1.410
   70    71   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   317.000  1.510
   58    59   340.000  1.080
   58    65   549.000  1.340
   65    66   340.000  1.080
   65    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   317.000  1.522
   88    89   656.000  1.250
   88    90   656.000  1.250
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    38    63    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    47    63.00000  111.10000
   38    43    49    58.35000  112.70000
   38    63    55    58.35000  112.70000
   38    63    64    37.50000  110.70000
   38    63    70    50.00000  109.50000
   43    38    39    37.50000  110.70000
   43    47    48    80.00000  120.40000
   43    47    55    70.00000  116.00000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    58    70.00000  112.02700
   47    43    44    35.00000  109.50000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    63    63.00000  111.10000
   55    47    48    80.00000  120.40000
   55    63    64    37.50000  110.70000
   55    63    70    50.00000  109.50000
   57    55    56    33.00000  107.80000
   63    38    39    37.50000  110.70000
   63    38    43    58.35000  112.70000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    70    71    55.00000  108.50000
   70    63    64    35.00000  109.50000
   49    43    44    37.50000  110.70000
   49    43    47    63.00000  111.10000
   49    58    59    35.00000  117.00000
   49    58    65    70.00000  124.00000
   51    49    50    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    51    35.00000  109.50000
   58    65    66    35.00000  120.00000
   58    65    72    70.00000  124.00000
   65    58    59    35.00000  120.00000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    78    70.00000  112.02700
   72    65    66    35.00000  117.00000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    85    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    85    86    37.50000  110.70000
   78    85    87    37.50000  110.70000
   78    85    88    70.00000  109.69300
   80    78    79    33.00000  107.80000
   85    78    79    37.50000  110.70000
   85    78    80    37.50000  110.70000
   85    88    89    70.00000  117.00000
   85    88    90    70.00000  117.00000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   90    88    89    80.00000  126.00000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    45    46    80.00000  120.40000
   40    45    52    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    60    63.00000  111.10000
   52    45    46    80.00000  120.40000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    67    58.35000  112.70000
   54    52    53    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    54    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    75    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    81    58.35000  112.70000
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    84    37.50000  110.70000
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    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   0.01700  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    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    38    63   0.44750  1.0 1.0
   29    33    38    63  -0.17800 -1.0 2.0
   29    33    38    63   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47  -0.95700  1.0 1.0
   33    38    43    47  -0.18200 -1.0 2.0
   33    38    43    47   0.29450  1.0 3.0
   33    38    43    49   0.56750  1.0 1.0
   33    38    43    49  -0.07550 -1.0 2.0
   33    38    43    49   0.20000  1.0 3.0
   33    38    63    55   0.56750  1.0 1.0
   33    38    63    55  -0.07550 -1.0 2.0
   33    38    63    55   0.20000  1.0 3.0
   33    38    63    64   0.15000  1.0 3.0
   33    38    63    70   0.86500  1.0 1.0
   33    38    63    70  -0.17500 -1.0 2.0
   33    38    63    70   0.20800  1.0 3.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    52   0.60050  1.0 1.0
   33    40    45    52   0.05600 -1.0 2.0
   33    40    45    52   0.26150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    63   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.95700  1.0 1.0
   38    33    40    45  -0.18200 -1.0 2.0
   38    33    40    45   0.29450  1.0 3.0
   38    43    47    48   0.30150 -1.0 2.0
   38    43   -47    55   0.60050  1.0 1.0
   38    43   -47    55   0.05600 -1.0 2.0
   38    43   -47    55   0.26150  1.0 3.0
   38    43    49    50   0.15000  1.0 3.0
   38    43    49    51   0.15000  1.0 3.0
   38    43    49    58   0.34400  1.0 1.0
   38    43    49    58   0.09450 -1.0 2.0
   38    43    49    58   0.11100  1.0 3.0
   38    63    70    71  -0.11600  1.0 1.0
   38    63    70    71  -0.09450 -1.0 2.0
   38    63    70    71   0.21250  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47  -0.11250  1.0 3.0
   39    38    43    49   0.15000  1.0 3.0
   39    38    63    55   0.15000  1.0 3.0
   39    38    63    64   0.15000  1.0 3.0
   39    38    63    70   0.23400  1.0 3.0
   43    38   -63    55   0.56750  1.0 1.0
   43    38   -63    55  -0.07550 -1.0 2.0
   43    38   -63    55   0.20000  1.0 3.0
   43    38    63    64   0.15000  1.0 3.0
   43    38    63    70   0.86500  1.0 1.0
   43    38    63    70  -0.17500 -1.0 2.0
   43    38    63    70   0.20800  1.0 3.0
   43    47    55    56   0.00000  1.0 1.0
   43    47    55    57   0.00000  1.0 1.0
   43    47   -55    63   0.60050  1.0 1.0
   43    47   -55    63   0.05600 -1.0 2.0
   43    47   -55    63   0.26150  1.0 3.0
   43    49    58    59   0.00000  1.0 1.0
   43    49    58    65   0.09850  1.0 1.0
   43    49    58    65   0.15250 -1.0 2.0
   43    49    58    65  -0.50650  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    55   0.00000  1.0 1.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    58   0.15000  1.0 3.0
   47    43    49    50  -0.11250  1.0 3.0
   47    43    49    51  -0.11250  1.0 3.0
   47    43    49    58  -0.98800  1.0 1.0
   47    43    49    58   0.48800 -1.0 2.0
   47    43    49    58   0.76800  1.0 3.0
   47    55   -63    38  -0.95700  1.0 1.0
   47    55   -63    38  -0.18200 -1.0 2.0
   47    55   -63    38   0.29450  1.0 3.0
   47    55    63    64  -0.11250  1.0 3.0
   47    55    63    70  -0.09450  1.0 1.0
   47    55    63    70  -1.12950 -1.0 2.0
   47    55    63    70   0.54000  1.0 3.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    55    57   0.00000  1.0 1.0
   48    47    55    63   0.30150 -1.0 2.0
   55    63    70    71  -0.11600  1.0 1.0
   55    63    70    71  -0.09450 -1.0 2.0
   55    63    70    71   0.21250  1.0 3.0
   56    55    63    38   0.15000  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    70   0.23400  1.0 3.0
   57    55    63    38   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    70   0.23400  1.0 3.0
   63    38    43    44   0.15000  1.0 3.0
   63    38   -43    47  -0.95700  1.0 1.0
   63    38   -43    47  -0.18200 -1.0 2.0
   63    38   -43    47   0.29450  1.0 3.0
   63    38    43    49   0.56750  1.0 1.0
   63    38    43    49  -0.07550 -1.0 2.0
   63    38    43    49   0.20000  1.0 3.0
   64    63    70    71   0.19450  1.0 3.0
   49    43    47    48   0.30150 -1.0 2.0
   49    43    47    55   0.60050  1.0 1.0
   49    43    47    55   0.05600 -1.0 2.0
   49    43    47    55   0.26150  1.0 3.0
   49    58    65    66   7.00000 -1.0 2.0
   49    58    65    72   7.00000 -1.0 2.0
   50    49    58    59   0.33100  1.0 3.0
   50    49    58    65   0.00000  1.0 1.0
   51    49    58    59   0.33100  1.0 3.0
   51    49    58    65   0.00000  1.0 1.0
   58    65    72    73   0.00000  1.0 1.0
   58    65    72    74   0.00000  1.0 1.0
   58    65    72    78   0.09850  1.0 1.0
   58    65    72    78   0.15250 -1.0 2.0
   58    65    72    78  -0.50650  1.0 3.0
   59    58    65    66   7.00000 -1.0 2.0
   59    58    65    72   7.00000 -1.0 2.0
   65    72    78    79   0.15000  1.0 3.0
   65    72    78    80   0.15000  1.0 3.0
   65    72    78    85   0.34400  1.0 1.0
   65    72    78    85   0.09450 -1.0 2.0
   65    72    78    85   0.11100  1.0 3.0
   66    65    72    73   0.33100  1.0 3.0
   66    65    72    74   0.33100  1.0 3.0
   66    65    72    78   0.00000  1.0 1.0
   72    78    85    86   0.15000  1.0 3.0
   72    78    85    87   0.15000  1.0 3.0
   72    78    85    88  -1.63150  1.0 1.0
   72    78    85    88  -0.43550 -1.0 2.0
   72    78    85    88   0.24500  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    85   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    85   0.15000  1.0 3.0
   78    85    88    89   0.41150 -1.0 2.0
   78    85    88    90   0.41150 -1.0 2.0
   79    78    85    86   0.15000  1.0 3.0
   79    78    85    87   0.15000  1.0 3.0
   79    78    85    88  -0.11250  1.0 3.0
   80    78    85    86   0.15000  1.0 3.0
   80    78    85    87   0.15000  1.0 3.0
   80    78    85    88  -0.11250  1.0 3.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   87    85    88    89   0.00000  1.0 1.0
   87    85    88    90   0.00000  1.0 1.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   40    33    38    63   0.56750  1.0 1.0
   40    33    38    63  -0.07550 -1.0 2.0
   40    33    38    63   0.20000  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    60   0.60050  1.0 1.0
   40    45    52    60   0.05600 -1.0 2.0
   40    45    52    60   0.26150  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    52   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    52   0.00000  1.0 1.0
   45    52    60    61  -0.11250  1.0 3.0
   45    52    60    62  -0.11250  1.0 3.0
   45    52    60    67  -0.95700  1.0 1.0
   45    52    60    67  -0.18200 -1.0 2.0
   45    52    60    67   0.29450  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    60   0.30150 -1.0 2.0
   52    60    67    68   0.15000  1.0 3.0
   52    60    67    69   0.15000  1.0 3.0
   52    60    67    75   0.56750  1.0 1.0
   52    60    67    75  -0.07550 -1.0 2.0
   52    60    67    75   0.20000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    67   0.15000  1.0 3.0
   54    52    60    61   0.15000  1.0 3.0
   54    52    60    62   0.15000  1.0 3.0
   54    52    60    67   0.15000  1.0 3.0
   60    67    75    76   0.15000  1.0 3.0
   60    67    75    77   0.15000  1.0 3.0
   60    67    75    81   0.56750  1.0 1.0
   60    67    75    81  -0.07550 -1.0 2.0
   60    67    75    81   0.20000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    75   0.15000  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   62    60    67    75   0.15000  1.0 3.0
   67    75    81    82   0.15000  1.0 3.0
   67    75    81    83   0.15000  1.0 3.0
   67    75    81    84   0.15000  1.0 3.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    77   0.15000  1.0 3.0
   68    67    75    81   0.15000  1.0 3.0
   69    67    75    76   0.15000  1.0 3.0
   69    67    75    77   0.15000  1.0 3.0
   69    67    75    81   0.15000  1.0 3.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    84   0.15000  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    84   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    55    47    48  10.50000 -1.0 2.0
   49    59    58    65  15.00000 -1.0 2.0
   72    66    65    58  15.00000 -1.0 2.0
   89    85    88    90  10.50000 -1.0 2.0
   40    52    45    46  10.50000 -1.0 2.0
END
