* LIGAND DATABASE FILE (OPLS2005)
*
001      82    86    160    251     466
    1     0 S   NP   _N1_     1    28.73739    94.68841   -20.77437
    2     1 S   H    _HN1     2     1.02775    86.84568   -74.42872
    3     1 S   H    _H1_     3     1.02962    92.17575    33.82793
    4     1 S   H    _H2_     4     1.02834    31.87857   153.36225
    5     1 S   CT   _CA1     5     1.50115   142.38340   162.18513
    6     5 S   HC   _HA1     6     1.09566   105.26258    54.15037
    7     5 S   CO3  _C1_     7     1.53845   112.43659   -66.15411
    8     7 S   O2Z  _O11     8     1.26362   115.00502   -41.32554
    9     7 S   O2Z  _O12     9     1.26240   114.98507   138.00143
   10     5 S   CT   _CB1    10     1.53117   107.44012   172.21449
   11    10 S   HC   HB11    11     1.09816   109.50828   -49.44302
   12    10 S   HC   HB12    12     1.09826   110.32509    67.18109
   13    10 S   CT   _CG1    13     1.52976   112.62127  -170.54036
   14    13 S   HC   HG11    14     1.09517   110.34218   -60.51482
   15    13 S   HC   HG12    15     1.09634   110.10907    58.60894
   16    13 S   C    _CD1    16     1.51781   112.34028   178.94910
   17    16 S   O    _OE1    17     1.22714   123.24557    -9.71082
   18    16 S   N    _N2_    18     1.38598   111.58327   170.81808
   19    18 S   H    _HN2    19     1.01587   118.98255     1.32618
   20    18 S   CT1  _CA2    20     1.46231   123.49989  -178.08705
   21    20 S   HC   _HA2    21     1.09728   109.42806   -13.60913
   22    20 S   C    _C2_    22     1.53395   108.23142  -129.35957
   23    22 S   O    _O2_    23     1.23006   122.28416  -145.14138
   24    20 S   CT   _CB2    32     1.53400   111.14197   108.54869
   25    24 S   HC   HB21    33     1.09479   109.63708    54.70420
   26    24 S   HC   HB22    34     1.09511   110.74538   173.15272
   27    22 S   N    _N3_    24     1.38525   113.32168    42.19102
   28    27 S   H    _HN3    25     1.01528   118.91197    -0.51091
   29    24 S   S    _SG2    35     1.82844   111.64263   -67.65739
   30    27 S   CT   _CA3    26     1.45450   123.42406   175.09523
   31    30 S   HC   HA31    27     1.09525   109.19530    25.02282
   32    30 S   HC   HA32    28     1.09494   107.12550   142.02944
   33    29 S   CT   _C16    36     1.85005    99.87440   152.69527
   34    33 S   HC   _H5_    37     1.09449   105.34506    39.34382
   35    30 S   CO3  _C3_    29     1.52934   113.17384   -98.42179
   36    35 S   O2Z  _O31    30     1.26398   115.43922   -43.33521
   37    35 S   O2Z  _O32    31     1.26360   114.95704   137.60474
   38    33 S   CT   _C15    38     1.53903   110.64194   -79.48109
   39    38 S   HC   _H4_    39     1.09663   109.99772    60.36521
   40    38 S   CT   _C14    40     1.53197   108.42304   179.62154
   41    40 S   HC   _H14    41     1.09621   109.02634   -62.22901
   42    40 S   HC   _H15    42     1.09627   110.44676  -178.42455
   43    38 S   OS   _O37    78     1.43383   109.09751   -59.80859
   44    40 S   CT   _C13    43     1.53502   110.52840    61.31498
   45    44 S   HC   _H3_    44     1.10027   106.54568    67.47031
   46    43 S   CT   _C18    79     1.42112   113.68903   161.68979
   47    46 S   HC   _H17    80     1.09314   108.08401  -174.99715
   48    46 S   HC   _H18    81     1.09279   111.01175    66.48738
   49    46 S   HC   _H19    82     1.09382   110.73536   -56.30181
   50    44 S   CT   _C12    45     1.54673   114.90279   -56.39582
   51    44 S   NTH0 _N4_    56     1.48069   111.45340  -172.17905
   52    50 S   CA   _C7_    46     1.55652   106.54348   169.16104
   53    51 S   CT   _C20    57     1.48044   105.48755    81.62673
   54    53 S   HC   _H22    58     1.09661   108.84968   -94.30588
   55    53 S   HC   _H23    59     1.09648   112.20556   148.40800
   56    33 S   CT   _C17    74     1.54910   108.84768   156.47849
   57    56 S   HC   _H6_    75     1.09876   108.61362    50.92537
   58    52 S   CA   _C8_    47     1.40041   122.89909  -148.31370
   59    58 S   HA   _H11    48     1.08281   122.62092     1.40235
   60    50 S   CT   _C21    60     1.55383   102.30117   -80.19822
   61    60 S   HC   _H7_    61     1.09674   111.82240  -145.22635
   62    56 S   OH   _O36    76     1.43382   108.38669   -65.41064
   63    62 S   HO   _H16    77     0.97326   107.03124    53.21416
   64    58 S   CA   _C9_    49     1.38093   118.46703  -178.32415
   65    60 S   OH   _O38    62     1.42091   113.07141    93.63089
   66    65 S   HO   _H24    63     0.97254   107.51710   179.28236
   67    64 S   CA   _C10    50     1.37863   122.77826     0.30964
   68    67 S   CA   _C5_    51     1.38377   121.22026     0.12511
   69    67 S   OS   _O34    69     1.36283   111.04326  -179.95154
   70    52 S   CA   _C6_    52     1.43110   118.18559    34.38134
   71    68 S   OS   _O33    64     1.36673   127.12974  -179.72589
   72    69 S   CO   _C11    70     1.43799   102.02042    -0.06256
   73    72 S   HC   _H12    71     1.09601   108.72129  -120.96646
   74    72 S   HC   _H13    72     1.09601   108.72453   120.89512
   75    70 S   CT   _C19    53     1.52338   119.08877    -3.08699
   76    75 S   HC   _H20    54     1.09724   110.06428   131.24281
   77    75 S   HC   _H21    55     1.09801   107.79929  -112.93752
   78    71 S   CT   _C4_    65     1.41999   118.45711     0.39317
   79    78 S   HC   _H8_    66     1.09449   107.62385   179.63738
   80    78 S   HC   _H9_    67     1.09456   111.22893    62.27680
   81    78 S   HC   _H10    68     1.09452   111.19797   -63.02030
   82    64 S   OS   _O35    73     1.36333   124.34316  -179.80218
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  16   7  13   6   5   6  18   7   3   2   1
   1  19  13  18  11   5   4   8   3  10   4   6   2   1   1   9
   1   1  10  12   6   5   5   3   2   1   2   1   1   3   2   1
   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    56    57    62    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    50    52    60    56    57    62    63    43    46  
   38    39    40    50    56    57    62    43  
   36    37  
   37  
    0  
   39    40    41    42    44    45    50    51    56    57    62    43    46    47    48    49  
   40    41    42    44    56    43    46  
   41    42    44    45    50    52    75    51    53    60    56    43    46  
   42    44    45    50    51    43  
   44    45    50    51    43  
   46    47    48    49    44    56  
   45    50    52    58    70    75    76    77    51    53    54    55    60    61    65    56    57    62  
   50    52    75    51    53    60    56  
   47    48    49  
   48    49  
   49  
    0  
   52    58    59    64    68    70    75    51    53    54    55    60    61    65    66    56    57    62    63  
   53    54    55    60    61    65    56    52    68    70    75    76    77  
   58    59    64    67    68    70    75    76    77    53    60    61    65    71    82    56    57    62  
   54    55    60    61    65    66    56    70    75    76    77  
   55    60    61    65    75  
   60    61    65    75  
   57    62    63    58    60    61    65    70  
   62    63    60  
   59    64    67    68    70    75    60    69    72    82  
   64    67    70    82  
   61    65    66    62    70    75  
   65    66  
   63  
    0  
   67    68    70    71    69    72    73    74    82  
   66  
    0  
   68    70    75    71    78    69    72    73    74    82  
   70    75    76    77    71    78    79    80    81    69    72    82  
   72    73    74    82    70    71  
   75    76    77    71    78  
   78    79    80    81    75  
   73    74    82  
   74    82  
   82  
   76    77  
   77  
    0  
   79    80    81  
   80    81  
   81  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   82   2.9000   0.1400  -0.285000   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    56   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    51   310.000  1.447
   50    52   317.000  1.510
   50    60   268.000  1.529
   50    56   268.000  1.529
   52    58   469.000  1.400
   52    70   469.000  1.400
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    67   469.000  1.400
   64    82   450.000  1.364
   67    68   469.000  1.400
   67    69   450.000  1.364
   68    70   469.000  1.400
   68    71   450.000  1.364
   70    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    51   310.000  1.447
   51    53   310.000  1.447
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    65   320.000  1.410
   65    66   553.000  0.945
   71    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   69    72   320.000  1.380
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    82   320.000  1.380
   56    57   340.000  1.090
   56    62   320.000  1.410
   62    63   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    50.00000  109.50000
   33    56    50    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    43    46    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    58.35000  112.70000
   40    44    51    75.00000  113.73300
   42    40    41    33.00000  107.80000
   44    40    41    37.50000  110.70000
   44    40    42    37.50000  110.70000
   44    50    52    70.00000  112.17500
   44    50    60    58.35000  112.70000
   44    50    56    58.35000  112.70000
   44    51    75    80.00000  110.40700
   44    51    53    80.00000  110.40700
   50    44    45    37.50000  110.70000
   50    52    58    70.00000  120.00000
   50    52    70    70.00000  120.00000
   50    60    53    58.35000  112.70000
   50    60    61    37.50000  110.70000
   50    60    65    50.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    62    50.00000  109.50000
   52    58    59    35.00000  120.00000
   52    58    64    63.00000  120.00000
   52    70    68    63.00000  120.00000
   52    70    75    70.00000  120.00000
   58    64    67    63.00000  120.00000
   58    64    82    70.00000  120.00000
   64    58    59    35.00000  120.00000
   64    67    68    63.00000  120.00000
   64    67    69    70.00000  120.00000
   64    82    72   100.00000  112.36700
   67    68    70    63.00000  120.00000
   67    68    71    70.00000  120.00000
   67    69    72   100.00000  112.36700
   68    70    75    70.00000  120.00000
   68    71    78    75.00000  111.00000
   70    52    58    63.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    51    75.00000  112.33000
   75    51    53    80.00000  110.40700
   77    75    76    33.00000  107.80000
   51    44    45    50.00000  110.15500
   51    44    50    75.00000  113.73300
   51    75    76    50.00000  110.15500
   51    75    77    50.00000  110.15500
   51    53    54    50.00000  110.15500
   51    53    55    50.00000  110.15500
   51    53    60    75.00000  113.73300
   53    60    61    37.50000  110.70000
   53    60    65    50.00000  109.50000
   55    53    54    33.00000  107.80000
   60    50    52    70.00000  112.17500
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    65    66    55.00000  108.50000
   65    60    61    35.00000  109.50000
   71    68    70    70.00000  120.00000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    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
   69    67    68    70.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    82    92.60000  111.55000
   74    72    73    33.00000  109.50000
   82    64    67    70.00000  120.00000
   82    72    73    35.00000  109.50000
   82    72    74    35.00000  109.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    50    52    70.00000  112.17500
   56    50    60    58.35000  112.70000
   56    62    63    55.00000  108.50000
   62    56    57    35.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    50.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    56    50   0.44750  1.0 1.0
   29    33    56    50  -0.17800 -1.0 2.0
   29    33    56    50   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    62   0.56750  1.0 1.0
   29    33    56    62  -0.07550 -1.0 2.0
   29    33    56    62   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    43    46   0.06250  1.0 1.0
   33    38    43    46  -0.01100 -1.0 2.0
   33    38    43    46   0.28050  1.0 3.0
   33    56    62    63  -0.11600  1.0 1.0
   33    56    62    63  -0.09450 -1.0 2.0
   33    56    62    63   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    56    50   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    62   0.23400  1.0 3.0
   38    33    56    50   0.56750  1.0 1.0
   38    33    56    50  -0.07550 -1.0 2.0
   38    33    56    50   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    62   0.86500  1.0 1.0
   38    33    56    62  -0.17500 -1.0 2.0
   38    33    56    62   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    50   0.56750  1.0 1.0
   38    40   -44    50  -0.07550 -1.0 2.0
   38    40   -44    50   0.20000  1.0 3.0
   38    40    44    51   1.53400  1.0 1.0
   38    40    44    51  -0.09950 -1.0 2.0
   38    40    44    51   0.05700  1.0 3.0
   38    43    46    47   0.37050  1.0 3.0
   38    43    46    48   0.37050  1.0 3.0
   38    43    46    49   0.37050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    43    46   0.37050  1.0 3.0
   40    38    43    46   0.06250  1.0 1.0
   40    38    43    46  -0.01100 -1.0 2.0
   40    38    43    46   0.28050  1.0 3.0
   40    44    50    52  -0.03700  1.0 1.0
   40    44    50    52   0.37200 -1.0 2.0
   40    44    50    52  -0.47300  1.0 3.0
   40    44    50    60   0.56750  1.0 1.0
   40    44    50    60  -0.07550 -1.0 2.0
   40    44    50    60   0.20000  1.0 3.0
   40    44    50    56   0.56750  1.0 1.0
   40    44    50    56  -0.07550 -1.0 2.0
   40    44    50    56   0.20000  1.0 3.0
   40    44    51    75   1.99000  1.0 1.0
   40    44    51    75   0.18800 -1.0 2.0
   40    44    51    75   0.81350  1.0 3.0
   40    44    51    53   1.99000  1.0 1.0
   40    44    51    53   0.18800 -1.0 2.0
   40    44    51    53   0.81350  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   42    40    44    45   0.15000  1.0 3.0
   42    40    44    50   0.15000  1.0 3.0
   42    40    44    51   0.15000  1.0 3.0
   44    50    52    58   0.04150 -1.0 2.0
   44    50    52    70   0.04150 -1.0 2.0
   44    50   -60    53   0.56750  1.0 1.0
   44    50   -60    53  -0.07550 -1.0 2.0
   44    50   -60    53   0.20000  1.0 3.0
   44    50    60    61   0.15000  1.0 3.0
   44    50    60    65   0.86500  1.0 1.0
   44    50    60    65  -0.17500 -1.0 2.0
   44    50    60    65   0.20800  1.0 3.0
   44    50   -56    33   0.56750  1.0 1.0
   44    50   -56    33  -0.07550 -1.0 2.0
   44    50   -56    33   0.20000  1.0 3.0
   44    50    56    57   0.15000  1.0 3.0
   44    50    56    62   0.86500  1.0 1.0
   44    50    56    62  -0.17500 -1.0 2.0
   44    50    56    62   0.20800  1.0 3.0
   44    51    53    54   0.28000  1.0 3.0
   44    51    53    55   0.28000  1.0 3.0
   44    51   -53    60   1.99000  1.0 1.0
   44    51   -53    60   0.18800 -1.0 2.0
   44    51   -53    60   0.81350  1.0 3.0
   45    44    50    52   0.43200  1.0 3.0
   45    44    50    60   0.15000  1.0 3.0
   45    44    50    56   0.15000  1.0 3.0
   45    44    51    75   0.28000  1.0 3.0
   45    44    51    53   0.28000  1.0 3.0
   50    44    51    75   1.99000  1.0 1.0
   50    44    51    75   0.18800 -1.0 2.0
   50    44    51    75   0.81350  1.0 3.0
   50    44   -51    53   1.99000  1.0 1.0
   50    44   -51    53   0.18800 -1.0 2.0
   50    44   -51    53   0.81350  1.0 3.0
   50    52    58    59   3.62500 -1.0 2.0
   50    52    58    64   3.62500 -1.0 2.0
   50    52    70    68   3.62500 -1.0 2.0
   50    52   -70    75   3.62500 -1.0 2.0
   50    60    65    66  -0.11600  1.0 1.0
   50    60    65    66  -0.09450 -1.0 2.0
   50    60    65    66   0.21250  1.0 3.0
   50    56    62    63  -0.11600  1.0 1.0
   50    56    62    63  -0.09450 -1.0 2.0
   50    56    62    63   0.21250  1.0 3.0
   52    50    60    53  -0.03700  1.0 1.0
   52    50    60    53   0.37200 -1.0 2.0
   52    50    60    53  -0.47300  1.0 3.0
   52    50    60    61   0.43200  1.0 3.0
   52    50    60    65   1.13150  1.0 1.0
   52    50    60    65  -1.01400 -1.0 2.0
   52    50    56    33  -0.03700  1.0 1.0
   52    50    56    33   0.37200 -1.0 2.0
   52    50    56    33  -0.47300  1.0 3.0
   52    50    56    57   0.43200  1.0 3.0
   52    50    56    62   1.13150  1.0 1.0
   52    50    56    62  -1.01400 -1.0 2.0
   52    58    64    67   3.62500 -1.0 2.0
   52    58    64    82   3.62500 -1.0 2.0
   52    70    75    76   0.00000  1.0 1.0
   52    70    75    77   0.00000  1.0 1.0
   52    70    75    51   0.18550 -1.0 2.0
   52    70    75    51   0.14000  1.0 3.0
   58    52    70    68   3.62500 -1.0 2.0
   58    52    70    75   3.62500 -1.0 2.0
   58    64   -67    68   3.62500 -1.0 2.0
   58    64    67    69   3.62500 -1.0 2.0
   58    64    82    72   1.63200 -1.0 2.0
   59    58    64    67   3.62500 -1.0 2.0
   59    58    64    82   3.62500 -1.0 2.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67    68    71   3.62500 -1.0 2.0
   64    67   -69    72   1.63200 -1.0 2.0
   67    64   -82    72   1.63200 -1.0 2.0
   67    68   -70    52   3.62500 -1.0 2.0
   67    68    70    75   3.62500 -1.0 2.0
   67    68    71    78   1.63200 -1.0 2.0
   67    69    72    73   0.08050  1.0 3.0
   67    69    72    74   0.08050  1.0 3.0
   67    69   -72    82  -0.25600  1.0 1.0
   67    69   -72    82  -0.40050 -1.0 2.0
   67    69   -72    82   0.34700  1.0 3.0
   68    67    69    72   1.63200 -1.0 2.0
   68    70    75    76   0.00000  1.0 1.0
   68    70    75    77   0.00000  1.0 1.0
   68    70    75    51   0.18550 -1.0 2.0
   68    70    75    51   0.14000  1.0 3.0
   68    71    78    79   0.08050  1.0 3.0
   68    71    78    80   0.08050  1.0 3.0
   68    71    78    81   0.08050  1.0 3.0
   70    52    58    59   3.62500 -1.0 2.0
   70    52   -58    64   3.62500 -1.0 2.0
   70    68    71    78   1.63200 -1.0 2.0
   70    75   -51    44   0.82600  1.0 1.0
   70    75   -51    44  -0.32100 -1.0 2.0
   70    75   -51    44   1.02000  1.0 3.0
   70    75    51    53   0.82600  1.0 1.0
   70    75    51    53  -0.32100 -1.0 2.0
   70    75    51    53   1.02000  1.0 3.0
   75    51    53    54   0.28000  1.0 3.0
   75    51    53    55   0.28000  1.0 3.0
   75    51    53    60   1.99000  1.0 1.0
   75    51    53    60   0.18800 -1.0 2.0
   75    51    53    60   0.81350  1.0 3.0
   76    75    51    44   0.28000  1.0 3.0
   76    75    51    53   0.28000  1.0 3.0
   77    75    51    44   0.28000  1.0 3.0
   77    75    51    53   0.28000  1.0 3.0
   51    44   -50    52   0.83750  1.0 1.0
   51    44   -50    52   0.32200 -1.0 2.0
   51    44   -50    52   0.70600  1.0 3.0
   51    44   -50    60   1.53400  1.0 1.0
   51    44   -50    60  -0.09950 -1.0 2.0
   51    44   -50    60   0.05700  1.0 3.0
   51    44    50    56   1.53400  1.0 1.0
   51    44    50    56  -0.09950 -1.0 2.0
   51    44    50    56   0.05700  1.0 3.0
   51    53   -60    50   1.53400  1.0 1.0
   51    53   -60    50  -0.09950 -1.0 2.0
   51    53   -60    50   0.05700  1.0 3.0
   51    53    60    61   0.15000  1.0 3.0
   51    53    60    65   3.18500  1.0 1.0
   53    60    65    66  -0.11600  1.0 1.0
   53    60    65    66  -0.09450 -1.0 2.0
   53    60    65    66   0.21250  1.0 3.0
   54    53    60    50   0.15000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    65   0.23400  1.0 3.0
   55    53    60    50   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    65   0.23400  1.0 3.0
   60    50    52    58   0.04150 -1.0 2.0
   60    50    52    70   0.04150 -1.0 2.0
   60    50    56    33   0.56750  1.0 1.0
   60    50    56    33  -0.07550 -1.0 2.0
   60    50    56    33   0.20000  1.0 3.0
   60    50    56    57   0.15000  1.0 3.0
   60    50    56    62   0.86500  1.0 1.0
   60    50    56    62  -0.17500 -1.0 2.0
   60    50    56    62   0.20800  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   71    68    70    52   3.62500 -1.0 2.0
   71    68    70    75   3.62500 -1.0 2.0
   69    67    68    70   3.62500 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   69    72   -82    64  -0.25600  1.0 1.0
   69    72   -82    64  -0.40050 -1.0 2.0
   69    72   -82    64   0.34700  1.0 3.0
   73    72    82    64   0.08050  1.0 3.0
   74    72    82    64   0.08050  1.0 3.0
   82    64    67    68   3.62500 -1.0 2.0
   82    64   -67    69   3.62500 -1.0 2.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40   0.56750  1.0 1.0
   56    33   -38    40  -0.07550 -1.0 2.0
   56    33   -38    40   0.20000  1.0 3.0
   56    33    38    43   0.62750  1.0 1.0
   56    33    38    43  -0.30950 -1.0 2.0
   56    33    38    43   0.27300  1.0 3.0
   56    50    52    58   0.04150 -1.0 2.0
   56    50    52    70   0.04150 -1.0 2.0
   56    50    60    53   0.56750  1.0 1.0
   56    50    60    53  -0.07550 -1.0 2.0
   56    50    60    53   0.20000  1.0 3.0
   56    50    60    61   0.15000  1.0 3.0
   56    50    60    65   0.86500  1.0 1.0
   56    50    60    65  -0.17500 -1.0 2.0
   56    50    60    65   0.20800  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   43    38    40    41   0.23400  1.0 3.0
   43    38    40    42   0.23400  1.0 3.0
   43    38    40    44   0.62750  1.0 1.0
   43    38    40    44  -0.30950 -1.0 2.0
   43    38    40    44   0.27300  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
   58    70    52    50   4.00000 -1.0 2.0
   64    59    58    52   1.10000 -1.0 2.0
   67    82    64    58   4.00000 -1.0 2.0
   68    69    67    64   4.00000 -1.0 2.0
   70    71    68    67   4.00000 -1.0 2.0
   68    75    70    52   4.00000 -1.0 2.0
END
