* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    154    239     450
    1     0 S   NP   _N1_     1    28.75321    95.06726   -21.82284
    2     1 S   H    _HN1     2     1.02804    94.11052  -106.00894
    3     1 S   H    _H1_     3     1.02920    84.52604     1.83760
    4     1 S   H    _H2_     4     1.02861    32.53002   136.94299
    5     1 S   CT   _CA1     5     1.50163   142.26760   119.15385
    6     5 S   HC   _HA1     6     1.09634   105.08019    70.72442
    7     5 S   CO3  _C1_     7     1.54011   111.38993   -48.12501
    8     7 S   O2Z  _O11     8     1.26248   115.57415   -73.79591
    9     7 S   O2Z  _O12     9     1.26319   114.60829   104.52928
   10     5 S   CT   _CB1    10     1.53111   107.20410  -172.55242
   11    10 S   HC   HB11    11     1.09836   109.49780   -51.42372
   12    10 S   HC   HB12    12     1.09790   110.58976    65.15377
   13    10 S   CT   _CG1    13     1.52933   112.29765  -172.25509
   14    13 S   HC   HG11    14     1.09472   110.36956   -61.85600
   15    13 S   HC   HG12    15     1.09647   109.97224    57.31271
   16    13 S   C    _CD1    16     1.51742   112.25291   178.04575
   17    16 S   O    _OE1    17     1.22747   123.24113     3.29812
   18    16 S   N    _N2_    18     1.38653   111.77263  -176.96707
   19    18 S   H    _HN2    19     1.01624   119.08009     2.33389
   20    18 S   CT1  _CA2    20     1.46300   123.26366  -179.19012
   21    20 S   HC   _HA2    21     1.09727   109.26451     3.68467
   22    20 S   C    _C2_    22     1.53444   109.15265  -112.19990
   23    22 S   O    _O2_    23     1.23082   122.13187  -149.45744
   24    20 S   CT   _CB2    32     1.53381   111.36224   125.28979
   25    24 S   HC   HB21    33     1.09494   109.45758    60.36017
   26    24 S   HC   HB22    34     1.09499   110.70091   179.15860
   27    22 S   N    _N3_    24     1.38289   113.83914    38.01761
   28    27 S   H    _HN3    25     1.01588   119.58830    -3.56453
   29    24 S   S    _SG2    35     1.82639   111.23941   -60.58367
   30    27 S   CT   _CA3    26     1.45290   123.15011   177.03390
   31    30 S   HC   HA31    27     1.09552   107.52678   -63.81861
   32    30 S   HC   HA32    28     1.09558   107.94438    52.58761
   33    29 S   CT   _C21    36     1.86918    99.66794   166.09639
   34    33 S   HC   _H5_    37     1.09136   107.66830   -19.51115
   35    30 S   CO3  _C3_    29     1.52944   114.14920   174.57039
   36    35 S   O2Z  _O31    30     1.26366   116.09033    -0.74151
   37    35 S   O2Z  _O32    31     1.26435   114.40516   179.31215
   38    33 S   CT   _C20    38     1.53975   105.99341    95.50396
   39    38 S   HC   _H4_    39     1.09873   110.97130   -46.67385
   40    38 S   CO4  _C19    40     1.51477   111.28291    72.55316
   41    40 S   O    _O35    41     1.23015   121.93726  -150.48806
   42    38 S   OS   _O36    77     1.42562   112.66973  -169.50300
   43    40 S   CM   _C18    42     1.47904   118.43068    33.04124
   44    43 S   HC   _H21    43     1.08448   116.62040   168.82275
   45    42 S   CT   _C22    78     1.42123   113.16304    85.21975
   46    45 S   HC   _H22    79     1.09334   108.18581   179.92598
   47    45 S   HC   _H23    80     1.09418   110.49056    61.35203
   48    45 S   HC   _H24    81     1.09322   111.06361   -61.23001
   49    43 S   CM   _C17    44     1.34182   121.02875    -5.74784
   50    49 S   CT   _C16    45     1.50733   121.13889   169.44598
   51    50 S   HC   _H3_    46     1.09892   109.37116     4.10122
   52    33 S   CT   _C7_    58     1.57910   111.75413  -138.73501
   53    50 S   CT   _C15    47     1.53653   107.19998   119.47273
   54    53 S   HC   _H19    48     1.09941   108.63194   -70.85338
   55    53 S   HC   _H20    49     1.09623   110.06856   173.26163
   56    52 S   CT   _C6_    59     1.55929   114.13074   166.66794
   57    56 S   HC   _H11    60     1.09636   110.81867    56.50467
   58    56 S   HC   _H12    61     1.09437   111.98875   -61.30756
   59    50 S   NT   _N4_    65     1.48006   108.90934  -111.51350
   60    53 S   CA   _C9_    50     1.50990   114.66415    48.84795
   61    56 S   CT   _C5_    62     1.54780   112.11662   176.49770
   62    61 S   HC   _H9_    63     1.09678   110.02842    72.70985
   63    61 S   HC   _H10    64     1.09737   107.64631  -172.07806
   64    59 S   CT   _C4_    66     1.45865   113.46429   178.97779
   65    64 S   HC   _H6_    67     1.09548   110.90120   -50.64296
   66    64 S   HC   _H7_    68     1.09583   110.28918  -168.38226
   67    64 S   HC   _H8_    69     1.09507   112.52510    71.13681
   68    60 S   CA   _C10    51     1.40493   117.31505   164.79759
   69    68 S   HA   _H13    52     1.08830   120.10021     1.43422
   70    68 S   CA   _C11    53     1.39159   121.17532  -178.42978
   71    70 S   HA   _H14    54     1.08521   117.89826  -179.72804
   72    70 S   CA   _C12    55     1.39045   119.80622     1.18844
   73    72 S   CA   _C13    56     1.40853   119.19120    -0.90828
   74    72 S   OS   _O34    72     1.37273   124.82042   178.62002
   75    60 S   CA   _C8_    57     1.41516   122.16596   -15.81654
   76    73 S   OH   _O33    70     1.37265   115.17900   176.90509
   77    76 S   HO   _H15    71     0.96793   109.01406  -146.59647
   78    74 S   CT   _C14    73     1.42222   117.28198     2.06279
   79    78 S   HC   _H16    74     1.09426   107.71447   179.95154
   80    78 S   HC   _H17    75     1.09395   111.03669    62.37713
   81    78 S   HC   _H18    76     1.09482   111.24585   -62.30793
  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
  18   8   2   1   1  14   6   8   4   6   9   3   3   2   1   1
  15  17   8  14  11   5   4  10   6   5   8   8   7   2   1   3
   2   1   1   7   4   7   3   9   5   6   2   1   1   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    75    52    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    60    73    75    52    56    57    58    61    42    45  
   38    39    40    49    75    52    56    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    75    52    56    42    45    46    47    48  
   40    41    43    52    42    45  
   41    43    44    49    50    52    42    45  
   43    44    49    42  
   45    46    47    48    43    52  
   44    49    50    51    53    75    52    56    59  
   49    50    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    53    54    55    60    73    75    52    56    57    58    61    59    64  
   51    53    54    55    60    68    75    52    56    61    62    63    59    64    65    66    67  
   53    54    55    60    52    61    59    64  
   56    57    58    61    62    63    59    76    53    60    68    72    73    75  
   54    55    60    68    69    70    73    75    61    59    64  
   55    60    68    75    59  
   60    68    75    59  
   57    58    61    62    63    59    64    60    73    75  
   58    61    62    63    59    75  
   61    62    63    59    75  
   64    65    66    67    60    61    62    63  
   68    69    70    71    72    73    75    76  
   62    63    64    65    66    67    75  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    75    74  
   70    71    72    75  
   71    72    73    75    76    74    78  
   72    73    74  
   73    75    76    77    74    78    79    80    81  
   75    76    77    74    78  
   78    79    80    81    75    76  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    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   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.005000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   320.000  1.462
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    59   382.000  1.448
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   317.000  1.510
   60    68   469.000  1.400
   60    75   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    74   450.000  1.364
   73    75   469.000  1.400
   73    76   450.000  1.364
   75    52   317.000  1.510
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    59   382.000  1.448
   59    64   382.000  1.448
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   76    77   553.000  0.945
   74    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    52    49    70.00000  112.02700
   33    52    75    70.00000  112.17500
   33    52    56    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    65.00000  118.62400
   38    42    45    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    40.00000  117.72500
   40    43    49    65.00000  118.96000
   43    40    41    80.00000  123.72100
   43    49    50    70.00000  124.00000
   43    49    52    70.00000  124.00000
   49    43    44    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    53    70.00000  112.02700
   49    50    59    75.00000  110.70900
   49    52    75    70.00000  112.99600
   49    52    56    70.00000  112.02700
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    60    70.00000  112.17500
   50    59    61    51.80000  107.20000
   50    59    64    51.80000  107.20000
   53    50    51    37.50000  110.70000
   53    60    68    70.00000  120.00000
   53    60    75    70.00000  120.00000
   55    53    54    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    55    35.00000  109.50000
   60    68    69    35.00000  120.00000
   60    68    70    63.00000  120.00000
   60    75    73    63.00000  120.00000
   60    75    52    70.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    74    70.00000  120.00000
   72    70    71    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    73    76    70.00000  120.00000
   72    74    78    75.00000  111.00000
   73    75    52    70.00000  120.00000
   73    76    77    35.00000  113.00000
   75    60    68    63.00000  120.00000
   75    52    56    70.00000  112.17500
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    49    50    65.00000  117.92700
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    61    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    59    56.20000  109.47000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    59    64    51.80000  107.20000
   63    61    62    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    53    56.20000  109.47000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   76    73    75    70.00000  120.00000
   74    72    73    70.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    49   0.56750  1.0 1.0
   29    33    52    49  -0.07550 -1.0 2.0
   29    33    52    49   0.20000  1.0 3.0
   29    33    52    75   0.56750  1.0 1.0
   29    33    52    75  -0.07550 -1.0 2.0
   29    33    52    75   0.20000  1.0 3.0
   29    33    52    56   0.44750  1.0 1.0
   29    33    52    56  -0.17800 -1.0 2.0
   29    33    52    56   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.65300  1.0 1.0
   33    38    40    43  -0.03850 -1.0 2.0
   33    38    40    43   0.33900  1.0 3.0
   33    38    42    45   0.06250  1.0 1.0
   33    38    42    45  -0.01100 -1.0 2.0
   33    38    42    45   0.28050  1.0 3.0
   33    52    56    57   0.15000  1.0 3.0
   33    52    56    58   0.15000  1.0 3.0
   33    52    56    61   0.56750  1.0 1.0
   33    52    56    61  -0.07550 -1.0 2.0
   33    52    56    61   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    52    49   0.15000  1.0 3.0
   34    33    52    75   0.43200  1.0 3.0
   34    33    52    56   0.15000  1.0 3.0
   38    33    52    49   0.34400  1.0 1.0
   38    33    52    49   0.09450 -1.0 2.0
   38    33    52    49   0.11100  1.0 3.0
   38    33    52    75  -0.03700  1.0 1.0
   38    33    52    75   0.37200 -1.0 2.0
   38    33    52    75  -0.47300  1.0 3.0
   38    33    52    56   0.56750  1.0 1.0
   38    33    52    56  -0.07550 -1.0 2.0
   38    33    52    56   0.20000  1.0 3.0
   38    40    43    44   0.04550  1.0 1.0
   38    40    43    44   0.83000 -1.0 2.0
   38    40    43    44  -0.04000  1.0 3.0
   38    40   -43    49  -0.33500  1.0 1.0
   38    40   -43    49   1.06600 -1.0 2.0
   38    40   -43    49  -0.14000  1.0 3.0
   38    42    45    46   0.37050  1.0 3.0
   38    42    45    47   0.37050  1.0 3.0
   38    42    45    48   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    45   0.37050  1.0 3.0
   40    38    42    45  -1.11000  1.0 1.0
   40    38    42    45   0.50250 -1.0 2.0
   40    38    42    45   0.47450  1.0 3.0
   40    43    49    50   7.00000 -1.0 2.0
   40    43    49    52   7.00000 -1.0 2.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    49   1.00000 -1.0 2.0
   43    49    50    51   0.00000  1.0 1.0
   43    49    50    53   0.09850  1.0 1.0
   43    49    50    53   0.15250 -1.0 2.0
   43    49    50    53  -0.50650  1.0 3.0
   43    49    50    59   0.90200  1.0 1.0
   43    49    50    59   0.57900 -1.0 2.0
   43    49    50    59  -0.62100  1.0 3.0
   43    49   -52    33   0.09850  1.0 1.0
   43    49   -52    33   0.15250 -1.0 2.0
   43    49   -52    33  -0.50650  1.0 3.0
   43    49    52    75   1.44450  1.0 1.0
   43    49    52    75   0.06600 -1.0 2.0
   43    49    52    75   0.29250  1.0 3.0
   43    49    52    56   0.09850  1.0 1.0
   43    49    52    56   0.15250 -1.0 2.0
   43    49    52    56  -0.50650  1.0 3.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    52   7.00000 -1.0 2.0
   49    50    53    54   0.15000  1.0 3.0
   49    50    53    55   0.15000  1.0 3.0
   49    50    53    60   0.21200  1.0 1.0
   49    50    53    60   0.16900 -1.0 2.0
   49    50    53    60  -1.15100  1.0 3.0
   49    50    59    61  -0.60800  1.0 1.0
   49    50    59    61   1.10050 -1.0 2.0
   49    50    59    61   0.47000  1.0 3.0
   49    50    59    64  -0.60800  1.0 1.0
   49    50    59    64   1.10050 -1.0 2.0
   49    50    59    64   0.47000  1.0 3.0
   49    52    56    57   0.15000  1.0 3.0
   49    52    56    58   0.15000  1.0 3.0
   49    52   -56    61   0.34400  1.0 1.0
   49    52   -56    61   0.09450 -1.0 2.0
   49    52   -56    61   0.11100  1.0 3.0
   50    49    52    33   0.46850  1.0 1.0
   50    49    52    33   0.08550 -1.0 2.0
   50    49    52    33   0.09800  1.0 3.0
   50    49    52    75   0.09700  1.0 1.0
   50    49    52    75   0.15600 -1.0 2.0
   50    49    52    75  -0.50800  1.0 3.0
   50    49    52    56   0.46850  1.0 1.0
   50    49    52    56   0.08550 -1.0 2.0
   50    49    52    56   0.09800  1.0 3.0
   50    53    60    68   0.04150 -1.0 2.0
   50    53   -60    75   0.04150 -1.0 2.0
   50    59    64    65   0.28000  1.0 3.0
   50    59    64    66   0.28000  1.0 3.0
   50    59    64    67   0.28000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    60   0.43200  1.0 3.0
   51    50    59    61   0.28000  1.0 3.0
   51    50    59    64   0.28000  1.0 3.0
   53    50    59    61   0.23450  1.0 1.0
   53    50    59    61   0.02050 -1.0 2.0
   53    50    59    61   0.25250  1.0 3.0
   53    50    59    64   0.58650  1.0 1.0
   53    50    59    64   0.12600 -1.0 2.0
   53    50    59    64   0.33350  1.0 3.0
   53    60    68    69   3.62500 -1.0 2.0
   53    60    68    70   3.62500 -1.0 2.0
   53    60    75    73   3.62500 -1.0 2.0
   53    60    75    52   3.62500 -1.0 2.0
   54    53    60    68   0.00000  1.0 1.0
   54    53    60    75   0.00000  1.0 1.0
   55    53    60    68   0.00000  1.0 1.0
   55    53    60    75   0.00000  1.0 1.0
   60    68    70    71   3.62500 -1.0 2.0
   60    68    70    72   3.62500 -1.0 2.0
   60    75    52    33   0.04150 -1.0 2.0
   60    75   -52    49   0.18050 -1.0 2.0
   60    75    52    56   0.04150 -1.0 2.0
   68    60    75    73   3.62500 -1.0 2.0
   68    60    75    52   3.62500 -1.0 2.0
   68    70   -72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    75   3.62500 -1.0 2.0
   70    72    73    76   3.62500 -1.0 2.0
   70    72    74    78   1.63200 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    73   -75    60   3.62500 -1.0 2.0
   72    73    75    52   3.62500 -1.0 2.0
   72    73    76    77   0.84100 -1.0 2.0
   72    74    78    79   0.08050  1.0 3.0
   72    74    78    80   0.08050  1.0 3.0
   72    74    78    81   0.08050  1.0 3.0
   73    72    74    78   1.63200 -1.0 2.0
   73    75    52    33   0.04150 -1.0 2.0
   73    75    52    49   0.18050 -1.0 2.0
   73    75    52    56   0.04150 -1.0 2.0
   75    60    68    69   3.62500 -1.0 2.0
   75    60   -68    70   3.62500 -1.0 2.0
   75    73    76    77   0.84100 -1.0 2.0
   75    52    56    57   0.43200  1.0 3.0
   75    52    56    58   0.43200  1.0 3.0
   75    52    56    61  -0.03700  1.0 1.0
   75    52    56    61   0.37200 -1.0 2.0
   75    52    56    61  -0.47300  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40  -0.95700  1.0 1.0
   52    33   -38    40  -0.18200 -1.0 2.0
   52    33   -38    40   0.29450  1.0 3.0
   52    33    38    42   0.62750  1.0 1.0
   52    33    38    42  -0.30950 -1.0 2.0
   52    33    38    42   0.27300  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49   -50    53   0.46850  1.0 1.0
   52    49   -50    53   0.08550 -1.0 2.0
   52    49   -50    53   0.09800  1.0 3.0
   52    49    50    59   0.52100  1.0 1.0
   52    49    50    59  -0.20350 -1.0 2.0
   52    49    50    59   0.29750  1.0 3.0
   52    56    61    62   0.15000  1.0 3.0
   52    56    61    63   0.15000  1.0 3.0
   52    56   -61    59   1.53400  1.0 1.0
   52    56   -61    59  -0.09950 -1.0 2.0
   52    56   -61    59   0.05700  1.0 3.0
   56    61   -59    50   0.23450  1.0 1.0
   56    61   -59    50   0.02050 -1.0 2.0
   56    61   -59    50   0.25250  1.0 3.0
   56    61    59    64   0.58650  1.0 1.0
   56    61    59    64   0.12600 -1.0 2.0
   56    61    59    64   0.33350  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    59   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    59   0.15000  1.0 3.0
   61    59    64    65   0.28000  1.0 3.0
   61    59    64    66   0.28000  1.0 3.0
   61    59    64    67   0.28000  1.0 3.0
   62    61    59    50   0.28000  1.0 3.0
   62    61    59    64   0.28000  1.0 3.0
   63    61    59    50   0.28000  1.0 3.0
   63    61    59    64   0.28000  1.0 3.0
   59    50    53    54   0.15000  1.0 3.0
   59    50    53    55   0.15000  1.0 3.0
   59    50    53    60   0.83750  1.0 1.0
   59    50    53    60   0.32200 -1.0 2.0
   59    50    53    60   0.70600  1.0 3.0
   76    73    75    60   3.62500 -1.0 2.0
   76    73    75    52   3.62500 -1.0 2.0
   74    72    73    75   3.62500 -1.0 2.0
   74    72    73    76   3.62500 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.65300  1.0 1.0
   42    38    40    43  -0.03850 -1.0 2.0
   42    38    40    43   0.33900  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
   38    43    40    41  10.50000 -1.0 2.0
   40    44    43    49   1.10000 -1.0 2.0
   50    52    49    43   1.10000 -1.0 2.0
   68    75    60    53   4.00000 -1.0 2.0
   70    69    68    60   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    74    72    70   4.00000 -1.0 2.0
   75    76    73    72   4.00000 -1.0 2.0
   73    52    75    60   4.00000 -1.0 2.0
END
