* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    166    254     487
    1     0 S   NP   _N1_     1    28.79526    96.12958   -24.45164
    2     1 S   H    _HN1     2     1.02827    33.11279   171.15111
    3     1 S   H    _H1_     3     1.02792   112.50870  -100.38116
    4     1 S   H    _H2_     4     1.02948    74.70087     3.53347
    5     1 S   CT   _CA1     5     1.50124   130.12530   107.55810
    6     5 S   HC   _HA1     6     1.09574   105.16203    90.80922
    7     5 S   CO3  _C1_     7     1.53776   112.49209   -29.39325
    8     7 S   O2Z  _O11     8     1.26376   115.00331   -41.82965
    9     7 S   O2Z  _O12     9     1.26240   114.94789   137.21336
   10     5 S   CT   _CB1    10     1.53066   107.40795  -151.21059
   11    10 S   HC   HB11    11     1.09840   109.33404   -49.33445
   12    10 S   HC   HB12    12     1.09811   110.46939    67.26585
   13    10 S   CT   _CG1    13     1.53013   112.63564  -170.27668
   14    13 S   HC   HG11    14     1.09571   110.71150   -67.20947
   15    13 S   HC   HG12    15     1.09671   109.71081    52.03583
   16    13 S   C    _CD1    16     1.51807   112.05128   172.51342
   17    16 S   O    _OE1    17     1.22755   123.20872    11.42980
   18    16 S   N    _N2_    18     1.38657   111.79397  -168.59122
   19    18 S   H    _HN2    19     1.01571   119.01471     1.13384
   20    18 S   CT1  _CA2    20     1.46172   123.33655   176.80004
   21    20 S   HC   _HA2    21     1.09756   109.26384     6.87364
   22    20 S   C    _C2_    22     1.53648   108.88720  -108.57939
   23    22 S   O    _O2_    23     1.23080   122.24370  -148.80320
   24    20 S   CT   _CB2    32     1.53381   111.77954   128.75910
   25    24 S   HC   HB21    33     1.09554   110.08227    56.60700
   26    24 S   HC   HB22    34     1.09372   109.65385   175.30810
   27    22 S   N    _N3_    24     1.38307   113.84223    38.72161
   28    27 S   H    _HN3    25     1.01550   119.61692    -3.25022
   29    24 S   S    _SG2    35     1.82844   111.27935   -63.73302
   30    27 S   CT   _CA3    26     1.45281   123.28297   177.15869
   31    30 S   HC   HA31    27     1.09547   107.51628   -64.65696
   32    30 S   HC   HA32    28     1.09555   107.99468    51.80361
   33    29 S   CT   _C13    36     1.86797   101.51739  -159.16476
   34    30 S   CO3  _C3_    29     1.52976   114.02990   173.79594
   35    34 S   O2Z  _O31    30     1.26385   116.06693    -0.59676
   36    34 S   O2Z  _O32    31     1.26423   114.41845   179.46077
   37    33 S   CT   _C9_    37     1.56943   113.77276    67.55863
   38    37 S   HC   _H5_    38     1.10002   109.20856   -92.91331
   39    33 S   CT   _C23    85     1.56324   109.35514   -53.86293
   40    39 S   HC   _H26    86     1.09362   111.73086  -176.50744
   41    39 S   HC   _H27    87     1.09501   111.27217    65.99822
   42    37 S   CT   _C8_    39     1.55165   104.44426   152.97389
   43    42 S   HC   _H4_    40     1.09938   107.31016    98.55716
   44    39 S   OH   _O40    88     1.42345   113.39845   -55.09092
   45    44 S   HO   _H28    89     0.97585   106.18689   -45.20326
   46    42 S   CT   _C7_    41     1.53129   112.10910  -143.65091
   47    46 S   HC   _H14    42     1.09602   110.56211    81.20195
   48    46 S   HC   _H15    43     1.09646   109.01777  -161.36589
   49    42 S   CT   _C15    65     1.54590   107.85744   -18.88243
   50    49 S   HC   _H8_    66     1.09825   113.06113  -126.29036
   51    46 S   CO   _C6_    44     1.52789   110.23040   -40.28545
   52    51 S   HC   _H3_    45     1.09640   108.45930   177.61476
   53    33 S   CT   _C14    67     1.57682   108.57487  -179.92598
   54    53 S   OM   _O39    68     1.32290   113.60093    78.38561
   55    53 S   HC   _H7_    69     1.09966   106.18558   -51.69504
   56    49 S   OS   _O36    70     1.44860   108.12271   113.23871
   57    51 S   OS   _O34    46     1.42811   113.28568    58.36036
   58    51 S   OS   _O33    57     1.43435   107.64284   -65.26037
   59    56 S   CO4  _C16    71     1.35486   117.66561    84.19811
   60    59 S   O    _O37    72     1.22073   126.69191    -0.79917
   61    37 S   CO   _C10    47     1.54913   119.41077    28.27242
   62    61 S   HC   _H6_    48     1.09502   108.53176   -65.69894
   63    58 S   CT   _C5_    58     1.42507   112.60599  -169.05857
   64    63 S   HC   _H12    59     1.09508   110.07055   -60.96518
   65    63 S   HC   _H13    60     1.09536   109.81635    59.30450
   66    59 S   CA   _C17    73     1.48473   109.95478  -179.98022
   67    61 S   OS   _O35    49     1.42794   111.64431    53.54300
   68    63 S   CT   _C4_    61     1.51587   108.26087   179.18940
   69    68 S   HC   _H9_    62     1.09504   110.62024   -59.06831
   70    68 S   HC   _H10    63     1.09507   110.59790    59.18811
   71    68 S   HC   _H11    64     1.09356   110.91379  -179.94405
   72    66 S   CA   _C18    74     1.40187   118.13874   173.41510
   73    72 S   HA   _H21    75     1.08735   120.95076    -0.13417
   74    67 S   CT   _C11    50     1.42436   112.89960  -166.10553
   75    74 S   HC   _H16    51     1.09503   110.03092   -61.00873
   76    74 S   HC   _H17    52     1.09548   109.88117    59.29743
   77    72 S   CA   _C19    76     1.39633   120.29943   179.97202
   78    77 S   HA   _H22    77     1.08608   119.46555   179.92087
   79    74 S   CT   _C12    53     1.51557   108.14983   179.05976
   80    79 S   HC   _H18    54     1.09511   110.58610   -59.04653
   81    79 S   HC   _H19    55     1.09506   110.59823    59.17484
   82    79 S   HC   _H20    56     1.09352   110.92666  -179.92598
   83    77 S   CA   _C20    78     1.39257   119.55450    -0.07913
   84    83 S   CA   _C21    79     1.39183   120.75376    -0.04846
   85    84 S   HA   _H23    80     1.08646   120.46566  -179.87028
   86    83 S   OH   _O38    83     1.36617   121.05897   179.98022
   87    86 S   HO   _H25    84     0.97240   108.59320     0.01978
   88    66 S   CA   _C22    81     1.40194   122.33414    -6.79342
   89    88 S   HA   _H24    82     1.08699   121.58963    -0.22555
  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  13   5   4   3
  20   2   1   1  22  10  10   4   3  18   9   2   1  12   6   5
  10   5  10   4   5   2   1   5   6   8   8   3   6   2   6   5
   4   9   7   3   2   1   1   8   4   6   5   4   7   3   3   2
   1   1   6   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    61    49    53    54    55    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    57    61    62    67    49    50    53    54    55    56    39    40    41    44    45  
   35    36  
   36  
    0  
   38    42    43    46    47    48    51    57    61    62    67    74    49    50    53    54    55    56    39    40    41    44  
   42    43    46    57    61    62    67    49    53    39  
   40    41    44    45    42    49    53    54    55    61  
   41    44    45    53  
   44    45    53  
   43    46    47    48    51    52    57    61    62    67    58    49    50    53    54    55    56    59  
   46    47    48    51    61    49    50    53    56  
   45    53  
    0  
   47    48    51    52    57    61    58    63    49    50    53    56  
   48    51    52    57    58    49  
   51    52    57    58    49  
   50    53    54    55    56    59    60    66    51    61  
   53    54    55    56    59  
   52    57    61    62    67    58    63    64    65    68  
   57    61    58    63  
   54    55    56    59    61  
   55    56  
   56  
   59    60    66    72    88  
   61    62    67    74    58    63  
   63    64    65    68    69    70    71    61  
   60    66    72    73    77    84    88    89  
   66    72    88  
   62    67    74    75    76    79  
   67    74  
   64    65    68    69    70    71  
   65    68    69    70    71  
   68    69    70    71  
   72    73    77    78    83    84    85    88    89  
   74    75    76    79    80    81    82  
   69    70    71  
   70    71  
   71  
    0  
   73    77    78    83    84    88    89    86  
   77    78    83    88  
   75    76    79    80    81    82  
   76    79    80    81    82  
   79    80    81    82  
   78    83    84    85    88    86    87  
   83    84    86  
   80    81    82  
   81    82  
   82  
    0  
   84    85    88    89    86    87  
   85    88    89    86    87  
   88    89    86  
   87    88  
    0  
   89  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   55   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    61   250.000  1.527
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   250.000  1.527
   51    52   340.000  1.090
   51    57   320.000  1.380
   51    58   320.000  1.380
   57    61   320.000  1.380
   61    62   340.000  1.090
   61    67   320.000  1.380
   67    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   58    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    56   320.000  1.410
   53    54   570.000  1.307
   53    55   340.000  1.090
   56    59   214.000  1.327
   59    60   570.000  1.229
   59    66   310.000  1.470
   66    72   469.000  1.400
   66    88   469.000  1.400
   72    73   367.000  1.080
   72    77   469.000  1.400
   77    78   367.000  1.080
   77    83   469.000  1.400
   83    84   469.000  1.400
   83    86   450.000  1.364
   84    85   367.000  1.080
   84    88   469.000  1.400
   88    89   367.000  1.080
   86    87   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    61    75.00000  109.43000
   33    53    49    58.35000  112.70000
   33    53    54    50.00000  109.50000
   33    53    55    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    46    58.35000  112.70000
   37    42    49    58.35000  112.70000
   37    61    57    90.00000  108.56700
   37    61    62    45.00000  112.01100
   37    61    67    90.00000  108.56700
   42    37    38    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    51    75.00000  109.43000
   42    49    50    37.50000  110.70000
   42    49    53    58.35000  112.70000
   42    49    56    50.00000  109.50000
   46    42    43    37.50000  110.70000
   46    51    52    45.00000  112.01100
   46    51    57    90.00000  108.56700
   46    51    58    90.00000  108.56700
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  108.72000
   51    46    48    45.00000  108.72000
   51    57    61   100.00000  109.58800
   51    58    63    60.00000  109.50000
   57    51    52    35.00000  109.50000
   57    61    62    35.00000  109.50000
   57    61    67    92.60000  111.55000
   61    37    38    45.00000  108.72000
   61    37    42    75.00000  109.43000
   61    67    74    60.00000  109.50000
   67    61    62    35.00000  109.50000
   67    74    75    35.00000  109.50000
   67    74    76    35.00000  109.50000
   67    74    79    50.00000  109.50000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   76    74    75    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    57    92.60000  111.55000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    68    50.00000  109.50000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    46    58.35000  112.70000
   49    53    54    50.00000  109.50000
   49    53    55    37.50000  110.70000
   49    56    59    83.00000  116.90000
   53    33    37    58.35000  112.70000
   53    49    50    37.50000  110.70000
   55    53    54    45.00000  125.66300
   56    49    50    35.00000  109.50000
   56    49    53    50.00000  109.50000
   56    59    60    83.00000  123.40000
   56    59    66    81.00000  111.40000
   59    66    72    60.00000  119.52600
   59    66    88    60.00000  119.52600
   66    59    60    75.00000  123.78400
   66    72    73    35.00000  120.00000
   66    72    77    63.00000  120.00000
   66    88    84    63.00000  120.00000
   66    88    89    35.00000  120.00000
   72    77    78    35.00000  120.00000
   72    77    83    63.00000  120.00000
   77    72    73    35.00000  120.00000
   77    83    84    63.00000  120.00000
   77    83    86    70.00000  120.00000
   83    77    78    35.00000  120.00000
   83    84    85    35.00000  120.00000
   83    84    88    63.00000  120.00000
   83    86    87    35.00000  113.00000
   84    88    89    35.00000  120.00000
   88    66    72    63.00000  120.00000
   88    84    85    35.00000  120.00000
   86    83    84    70.00000  120.00000
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   39    44    45    55.00000  108.50000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    61   0.44750  1.0 1.0
   29    33    37    61  -0.17800 -1.0 2.0
   29    33    37    61   0.20200  1.0 3.0
   29    33    53    49   0.44750  1.0 1.0
   29    33    53    49  -0.17800 -1.0 2.0
   29    33    53    49   0.20200  1.0 3.0
   29    33    53    54   0.56750  1.0 1.0
   29    33    53    54  -0.07550 -1.0 2.0
   29    33    53    54   0.20000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    46   0.56750  1.0 1.0
   33    37    42    46  -0.07550 -1.0 2.0
   33    37    42    46   0.20000  1.0 3.0
   33    37   -42    49   0.56750  1.0 1.0
   33    37   -42    49  -0.07550 -1.0 2.0
   33    37   -42    49   0.20000  1.0 3.0
   33    37    61    57   0.62750  1.0 1.0
   33    37    61    57  -0.30950 -1.0 2.0
   33    37    61    57   0.27300  1.0 3.0
   33    37    61    62   0.15000  1.0 3.0
   33    37    61    67   0.62750  1.0 1.0
   33    37    61    67  -0.30950 -1.0 2.0
   33    37    61    67   0.27300  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   37    33   -53    49   0.56750  1.0 1.0
   37    33   -53    49  -0.07550 -1.0 2.0
   37    33   -53    49   0.20000  1.0 3.0
   37    33    53    54   0.62750  1.0 1.0
   37    33    53    54  -0.30950 -1.0 2.0
   37    33    53    54   0.27300  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.86500  1.0 1.0
   37    33    39    44  -0.17500 -1.0 2.0
   37    33    39    44   0.20800  1.0 3.0
   37    42    46    47   0.15000  1.0 3.0
   37    42    46    48   0.15000  1.0 3.0
   37    42    46    51   3.97050  1.0 1.0
   37    42    49    50   0.15000  1.0 3.0
   37    42   -49    53   0.56750  1.0 1.0
   37    42   -49    53  -0.07550 -1.0 2.0
   37    42   -49    53   0.20000  1.0 3.0
   37    42    49    56   0.62750  1.0 1.0
   37    42    49    56  -0.30950 -1.0 2.0
   37    42    49    56   0.27300  1.0 3.0
   37    61    67    74   0.06250  1.0 1.0
   37    61    67    74  -0.01100 -1.0 2.0
   37    61    67    74   0.28050  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    42    49   0.15000  1.0 3.0
   38    37    61    57   0.23400  1.0 3.0
   38    37    61    62   0.15000  1.0 3.0
   38    37    61    67   0.23400  1.0 3.0
   42    37    61    57   0.62750  1.0 1.0
   42    37    61    57  -0.30950 -1.0 2.0
   42    37    61    57   0.27300  1.0 3.0
   42    37    61    62   0.15000  1.0 3.0
   42    37    61    67   0.62750  1.0 1.0
   42    37    61    67  -0.30950 -1.0 2.0
   42    37    61    67   0.27300  1.0 3.0
   42    46    51    52   0.15000  1.0 3.0
   42    46   -51    57   0.62750  1.0 1.0
   42    46   -51    57  -0.30950 -1.0 2.0
   42    46   -51    57   0.27300  1.0 3.0
   42    46    51    58   0.62750  1.0 1.0
   42    46    51    58  -0.30950 -1.0 2.0
   42    46    51    58   0.27300  1.0 3.0
   42    49   -53    33   0.56750  1.0 1.0
   42    49   -53    33  -0.07550 -1.0 2.0
   42    49   -53    33   0.20000  1.0 3.0
   42    49    53    54   0.62750  1.0 1.0
   42    49    53    54  -0.30950 -1.0 2.0
   42    49    53    54   0.27300  1.0 3.0
   42    49    53    55   0.15000  1.0 3.0
   42    49    56    59  -0.25900  1.0 1.0
   42    49    56    59  -0.47000 -1.0 2.0
   42    49    56    59   0.11750  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    51   0.15000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    53   0.15000  1.0 3.0
   43    42    49    56   0.23400  1.0 3.0
   46    42    49    50   0.15000  1.0 3.0
   46    42    49    53   0.56750  1.0 1.0
   46    42    49    53  -0.07550 -1.0 2.0
   46    42    49    53   0.20000  1.0 3.0
   46    42    49    56   0.62750  1.0 1.0
   46    42    49    56  -0.30950 -1.0 2.0
   46    42    49    56   0.27300  1.0 3.0
   46    51    57    61   0.06250  1.0 1.0
   46    51    57    61  -0.01100 -1.0 2.0
   46    51    57    61   0.28050  1.0 3.0
   46    51    58    63   0.06250  1.0 1.0
   46    51    58    63  -0.01100 -1.0 2.0
   46    51    58    63   0.28050  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    57   0.23400  1.0 3.0
   47    46    51    58   0.23400  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    57   0.23400  1.0 3.0
   48    46    51    58   0.23400  1.0 3.0
   51    57   -61    37   0.06250  1.0 1.0
   51    57   -61    37  -0.01100 -1.0 2.0
   51    57   -61    37   0.28050  1.0 3.0
   51    57    61    62   0.37050  1.0 3.0
   51    57    61    67  -0.81800  1.0 1.0
   51    58    63    64   0.37050  1.0 3.0
   51    58    63    65   0.37050  1.0 3.0
   51    58    63    68   0.06250  1.0 1.0
   51    58    63    68  -0.01100 -1.0 2.0
   51    58    63    68   0.28050  1.0 3.0
   52    51    57    61   0.37050  1.0 3.0
   52    51    58    63   0.37050  1.0 3.0
   57    51    58    63  -0.53350  1.0 1.0
   57    51    58    63  -0.78350 -1.0 2.0
   57    51    58    63   0.33750  1.0 3.0
   57    61    67    74  -0.53350  1.0 1.0
   57    61    67    74  -0.78350 -1.0 2.0
   57    61    67    74   0.33750  1.0 3.0
   61    37    42    43   0.15000  1.0 3.0
   61    37   -42    46   3.97050  1.0 1.0
   61    37    42    49   3.97050  1.0 1.0
   61    67    74    75   0.37050  1.0 3.0
   61    67    74    76   0.37050  1.0 3.0
   61    67    74    79   0.06250  1.0 1.0
   61    67    74    79  -0.01100 -1.0 2.0
   61    67    74    79   0.28050  1.0 3.0
   62    61    67    74   0.37050  1.0 3.0
   67    74    79    80   0.23400  1.0 3.0
   67    74    79    81   0.23400  1.0 3.0
   67    74    79    82   0.23400  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.15000  1.0 3.0
   76    74    79    80   0.15000  1.0 3.0
   76    74    79    81   0.15000  1.0 3.0
   76    74    79    82   0.15000  1.0 3.0
   58    51    57    61  -0.81800  1.0 1.0
   58    63    68    69   0.23400  1.0 3.0
   58    63    68    70   0.23400  1.0 3.0
   58    63    68    71   0.23400  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.15000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    71   0.15000  1.0 3.0
   49    42    46    47   0.15000  1.0 3.0
   49    42    46    48   0.15000  1.0 3.0
   49    42    46    51   3.97050  1.0 1.0
   49    56    59    60   3.00000 -1.0 2.0
   49    56    59    66   0.59950  1.0 1.0
   49    56    59    66   3.24850 -1.0 2.0
   50    49    53    33   0.15000  1.0 3.0
   50    49    53    54   0.23400  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    56    59   0.08050  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    42   0.56750  1.0 1.0
   53    33   -37    42  -0.07550 -1.0 2.0
   53    33   -37    42   0.20000  1.0 3.0
   53    33    37    61   3.97050  1.0 1.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    41   0.15000  1.0 3.0
   53    33    39    44   0.86500  1.0 1.0
   53    33    39    44  -0.17500 -1.0 2.0
   53    33    39    44   0.20800  1.0 3.0
   53    49    56    59  -0.25900  1.0 1.0
   53    49    56    59  -0.47000 -1.0 2.0
   53    49    56    59   0.11750  1.0 3.0
   56    49    53    33   0.62750  1.0 1.0
   56    49    53    33  -0.30950 -1.0 2.0
   56    49    53    33   0.27300  1.0 3.0
   56    49    53    54   1.11900  1.0 1.0
   56    49    53    54  -1.16350 -1.0 2.0
   56    49    53    54  -0.34150  1.0 3.0
   56    49    53    55   0.23400  1.0 3.0
   56    59    66    72   0.98750 -1.0 2.0
   56    59    66    88   0.98750 -1.0 2.0
   59    66    72    73   3.62500 -1.0 2.0
   59    66    72    77   3.62500 -1.0 2.0
   59    66    88    84   3.62500 -1.0 2.0
   59    66    88    89   3.62500 -1.0 2.0
   60    59    66    72   1.05000 -1.0 2.0
   60    59    66    88   1.05000 -1.0 2.0
   66    72    77    78   3.62500 -1.0 2.0
   66    72    77    83   3.62500 -1.0 2.0
   72    66    88    84   3.62500 -1.0 2.0
   72    66    88    89   3.62500 -1.0 2.0
   72    77   -83    84   3.62500 -1.0 2.0
   72    77    83    86   3.62500 -1.0 2.0
   73    72    77    78   3.62500 -1.0 2.0
   73    72    77    83   3.62500 -1.0 2.0
   77    83    84    85   3.62500 -1.0 2.0
   77    83    84    88   3.62500 -1.0 2.0
   77    83    86    87   0.84100 -1.0 2.0
   78    77    83    84   3.62500 -1.0 2.0
   78    77    83    86   3.62500 -1.0 2.0
   83    84   -88    66   3.62500 -1.0 2.0
   83    84    88    89   3.62500 -1.0 2.0
   84    83    86    87   0.84100 -1.0 2.0
   85    84    88    66   3.62500 -1.0 2.0
   85    84    88    89   3.62500 -1.0 2.0
   88    66    72    73   3.62500 -1.0 2.0
   88    66   -72    77   3.62500 -1.0 2.0
   86    83    84    85   3.62500 -1.0 2.0
   86    83    84    88   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    61   3.97050  1.0 1.0
   39    33    53    49   0.56750  1.0 1.0
   39    33    53    49  -0.07550 -1.0 2.0
   39    33    53    49   0.20000  1.0 3.0
   39    33    53    54   0.62750  1.0 1.0
   39    33    53    54  -0.30950 -1.0 2.0
   39    33    53    54   0.27300  1.0 3.0
   39    33    53    55   0.15000  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45   0.19450  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
   35    30    34    36  10.50000 -1.0 2.0
   56    66    59    60  10.50000 -1.0 2.0
   72    88    66    59   4.00000 -1.0 2.0
   77    73    72    66   1.10000 -1.0 2.0
   83    78    77    72   1.10000 -1.0 2.0
   84    86    83    77   4.00000 -1.0 2.0
   88    85    84    83   1.10000 -1.0 2.0
   84    89    88    66   1.10000 -1.0 2.0
END
