* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    151    228     440
    1     0 S   NP   _N1_     1    29.43700    98.03460   -17.78313
    2     1 S   H    _HN1     2     1.02966    79.33943    24.34256
    3     1 S   H    _H1_     3     1.02842    58.91744   141.75773
    4     1 S   H    _H2_     4     1.02780    68.95731   -90.21566
    5     1 S   CT   _CA1     5     1.50157   168.28050   171.32006
    6     5 S   HC   _HA1     6     1.09547   105.29382    32.42413
    7     5 S   CO3  _C1_     7     1.53906   112.31981   -88.07853
    8     7 S   O2Z  _O11     8     1.26354   114.88293   -39.85554
    9     7 S   O2Z  _O12     9     1.26205   115.16936   139.33068
   10     5 S   CT   _CB1    10     1.53148   107.45517   150.80921
   11    10 S   HC   HB11    11     1.09816   109.84056   -45.90285
   12    10 S   HC   HB12    12     1.09826   110.20966    70.83558
   13    10 S   CT   _CG1    13     1.52990   112.52459  -166.80961
   14    13 S   HC   HG11    14     1.09505   110.48858   -56.58430
   15    13 S   HC   HG12    15     1.09637   109.99926    62.37794
   16    13 S   C    _CD1    16     1.51869   112.31415  -177.20831
   17    16 S   O    _OE1    17     1.22701   123.26511    -7.90659
   18    16 S   N    _N2_    18     1.38590   111.58014   172.28556
   19    18 S   H    _HN2    19     1.01587   118.93013     2.23327
   20    18 S   CT1  _CA2    20     1.46157   123.62815  -178.14723
   21    20 S   HC   _HA2    21     1.09732   109.39116   -12.09616
   22    20 S   C    _C2_    22     1.53480   108.11816  -127.59936
   23    22 S   O    _O2_    23     1.23008   122.28890  -145.32496
   24    20 S   CT   _CB2    32     1.53589   111.50348   110.16943
   25    24 S   HC   HB21    33     1.09282   110.06903    55.49547
   26    24 S   HC   HB22    34     1.09550   110.04413   172.81807
   27    22 S   N    _N3_    24     1.38525   113.34634    42.01347
   28    27 S   H    _HN3    25     1.01526   118.90877    -0.60555
   29    24 S   S    _SG2    35     1.83154   111.95474   -69.54491
   30    27 S   CT   _CA3    26     1.45461   123.50926   175.13059
   31    30 S   HC   HA31    27     1.09517   109.31370    22.80227
   32    30 S   HC   HA32    28     1.09497   107.09742   139.82292
   33    29 S   CT   _C21    36     1.86076   102.99531   123.00210
   34    30 S   CO3  _C3_    29     1.52926   113.08140  -100.72842
   35    34 S   O2Z  _O31    30     1.26404   115.39268   -44.32783
   36    34 S   O2Z  _O32    31     1.26352   114.98794   136.59834
   37    33 S   CT   _C22    37     1.53479   109.91811    60.80793
   38    37 S   HC   _H17    38     1.09415   112.44982   -69.87425
   39    37 S   HC   _H18    39     1.09639   111.63189    51.72719
   40    37 S   HC   _H19    40     1.09610   110.95754   170.61695
   41    33 S   CT   _C23    41     1.54033   105.12230   177.81761
   42    41 S   HC   _H20    42     1.09664   111.75560    63.93346
   43    41 S   HC   _H21    43     1.09693   111.80033   -57.34395
   44    41 S   HC   _H22    44     1.09597   111.24173  -176.21235
   45    33 S   CT   _C20    45     1.53910   109.19922   -63.23613
   46    45 S   HC   _H15    46     1.09781   110.76437   -52.61080
   47    45 S   HC   _H16    47     1.09579   112.00527    65.34463
   48    45 S   CO4  _C19    48     1.51143   114.15322  -174.35764
   49    48 S   O    _O38    49     1.22346   124.00890   -83.50193
   50    48 S   OS   _O37    50     1.36126   109.72960    96.31790
   51    50 S   CT   _C8_    51     1.44573   117.98939   178.25482
   52    51 S   HC   _H3_    52     1.09918   108.05781   -37.81166
   53    51 S   CM   _C9_    53     1.51663   107.43956  -155.27000
   54    51 S   CT   _C7_    72     1.54224   109.91129    80.93160
   55    54 S   HC   _H8_    73     1.09358   110.78570    56.09924
   56    54 S   HC   _H9_    74     1.09773   109.10815   -57.40875
   57    53 S   CM   _C10    54     1.33769   121.24350   123.52031
   58    57 S   HC   _H10    55     1.08577   121.09837    -0.07913
   59    54 S   CM   _C6_    75     1.50411   112.65978  -176.68660
   60    59 S   HC   _H7_    76     1.08977   113.93668    69.49921
   61    57 S   CO4  _C11    56     1.47218   123.14318   179.85735
   62    61 S   O    _O33    57     1.22572   119.89499   179.46881
   63    59 S   CM   _C5_    77     1.34667   128.03275  -110.63387
   64    61 S   CA   _C12    58     1.47708   118.30137    -1.11943
   65    63 S   CT   _C4_    78     1.50596   120.34188   180.00000
   66    65 S   HC   _H4_    79     1.09495   110.24268   120.39767
   67    65 S   HC   _H5_    80     1.09510   112.43510     0.29342
   68    65 S   HC   _H6_    81     1.09500   110.22917  -119.78562
   69    63 S   CT   _C24    82     1.50266   125.43423     0.61102
   70    69 S   HC   _H23    83     1.09526   109.99982   119.53841
   71    69 S   HC   _H24    84     1.09118   113.75612    -0.78882
   72    69 S   HC   _H25    85     1.09511   110.04532  -121.20147
   73    64 S   CA   _C17    59     1.40180   119.75545     1.30326
   74    73 S   CA   _C16    60     1.40683   119.05943  -179.96044
   75    53 S   CO4  _C18    70     1.48925   119.06869   -55.86294
   76    75 S   O    _O34    71     1.22679   121.07002     1.53289
   77    74 S   CA   _C15    61     1.39489   120.91054     0.12033
   78    77 S   HA   _H12    62     1.08679   120.40347   179.93147
   79    74 S   OH   _O35    68     1.36994   123.62938  -179.91607
   80    79 S   HO   _H13    69     0.97383   108.87829     1.96692
   81    77 S   CA   _C14    63     1.38987   119.89758    -0.18663
   82    81 S   HA   _H11    64     1.08670   119.73384  -179.89913
   83    64 S   CA   _C13    65     1.40594   120.70654  -178.72697
   84    83 S   OH   _O36    66     1.36962   123.55683    -0.10835
   85    84 S   HO   _H14    67     0.97382   108.96695    -0.72145
  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
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2   9  14   7  13   9   4   3   8   4  10   3   8   3   8  11
   7   3   2   1   3   2   1   1  10   9   4   1   7   4   2   1
   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    53    54  
   50    51  
   51    52    53    57    75    54    55    56    59  
   52    53    57    58    61    73    75    76    54    55    56    59    60    63  
   53    57    75    54    55    56    59  
   57    58    61    62    64    73    74    75    76    54    55    56    59  
   55    56    59    60    63    65    69    57    75  
   56    59    60    63  
   59    60    63  
   58    61    62    64    73    83    75    76  
   61    62    64    75  
   60    63    65    66    67    68    69    70    71    72  
   63    65    69  
   62    64    73    74    81    83    84    75  
   64    73    83  
   65    66    67    68    69    70    71    72  
   73    74    77    81    82    83    84    85    79    75    76  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    77    78    81    83    84    79    80    75    76  
   77    78    81    82    83    79    80    75    76  
   76    77    79    83  
    0  
   78    81    82    83    84    79    80  
   81    82    83    79  
   80    81  
    0  
   82    83    84    85  
   83    84  
   84    85  
   85  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    54   268.000  1.529
   53    57   549.000  1.340
   53    75   320.000  1.462
   57    58   340.000  1.080
   57    61   320.000  1.462
   61    62   570.000  1.229
   61    64   310.000  1.470
   64    73   469.000  1.400
   64    83   469.000  1.400
   73    74   469.000  1.400
   73    75   310.000  1.470
   74    77   469.000  1.400
   74    79   450.000  1.364
   77    78   367.000  1.080
   77    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   450.000  1.364
   84    85   553.000  0.945
   79    80   553.000  0.945
   75    76   570.000  1.229
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   317.000  1.510
   59    60   340.000  1.080
   59    63   549.000  1.340
   63    65   317.000  1.510
   63    69   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    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    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  110.90400
   50    51    54    50.00000  109.50000
   51    53    57    70.00000  124.00000
   51    53    75    65.00000  116.34900
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    59    70.00000  112.02700
   53    51    52    35.00000  109.50000
   53    57    58    35.00000  120.00000
   53    57    61    65.00000  118.96000
   53    75    73    65.00000  117.02400
   53    75    76    80.00000  123.72100
   57    61    62    80.00000  123.72100
   57    61    64    65.00000  117.02400
   61    57    58    40.00000  117.72500
   61    64    73    60.00000  119.52600
   61    64    83    60.00000  119.52600
   64    61    62    75.00000  123.78400
   64    73    74    63.00000  120.00000
   64    73    75    60.00000  119.52600
   64    83    81    63.00000  120.00000
   64    83    84    70.00000  120.00000
   73    74    77    63.00000  120.00000
   73    74    79    70.00000  120.00000
   73    75    76    75.00000  123.78400
   74    77    78    35.00000  120.00000
   74    77    81    63.00000  120.00000
   74    79    80    35.00000  113.00000
   77    81    82    35.00000  120.00000
   77    81    83    63.00000  120.00000
   81    77    78    35.00000  120.00000
   81    83    84    70.00000  120.00000
   83    64    73    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    84    85    35.00000  113.00000
   79    74    77    70.00000  120.00000
   75    53    57    65.00000  118.96000
   75    73    74    60.00000  119.52600
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.02700
   54    59    60    35.00000  117.00000
   54    59    63    70.00000  124.00000
   56    54    55    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    63    65    70.00000  124.00000
   59    63    69    70.00000  124.00000
   63    59    60    35.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    35.00000  109.50000
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    72    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    63    65    65.00000  117.92700
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    45    48   0.56750  1.0 1.0
   29    33    45    48  -0.07550 -1.0 2.0
   29    33    45    48   0.20000  1.0 3.0
   33    45    48    49   0.30150 -1.0 2.0
   33    45    48    50   0.36750  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    45    48  -0.95700  1.0 1.0
   37    33    45    48  -0.18200 -1.0 2.0
   37    33    45    48   0.29450  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.15000  1.0 3.0
   41    33    45    48  -0.95700  1.0 1.0
   41    33    45    48  -0.18200 -1.0 2.0
   41    33    45    48   0.29450  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    48    50    51   1.63150  1.0 1.0
   45    48    50    51   2.92000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   48    50    51    52   0.08050  1.0 3.0
   48    50    51    53  -0.82050  1.0 1.0
   48    50    51    53   0.00600 -1.0 2.0
   48    50    51    53   0.04400  1.0 3.0
   48    50    51    54  -0.25900  1.0 1.0
   48    50    51    54  -0.47000 -1.0 2.0
   48    50    51    54   0.11750  1.0 3.0
   49    48    50    51   3.00000 -1.0 2.0
   50    51    53    57   0.39000  1.0 1.0
   50    51    53    57  -0.05800 -1.0 2.0
   50    51    53    57  -0.55150  1.0 3.0
   50    51    53    75   0.09700  1.0 1.0
   50    51    53    75   0.15600 -1.0 2.0
   50    51    53    75  -0.50800  1.0 3.0
   50    51    54    55   0.23400  1.0 3.0
   50    51    54    56   0.23400  1.0 3.0
   50    51    54    59   0.61850  1.0 1.0
   50    51    54    59  -0.22750 -1.0 2.0
   50    51    54    59   0.15300  1.0 3.0
   51    53    57    58   7.00000 -1.0 2.0
   51    53    57    61   7.00000 -1.0 2.0
   51    53    75    73   1.50000 -1.0 2.0
   51    53    75    76  -0.64400  1.0 1.0
   51    53    75    76   0.26850 -1.0 2.0
   51    54    59    60   0.00000  1.0 1.0
   51    54    59    63   0.09850  1.0 1.0
   51    54    59    63   0.15250 -1.0 2.0
   51    54    59    63  -0.50650  1.0 3.0
   52    51    53    57   0.00000  1.0 1.0
   52    51    53    75   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    59   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    59   0.31000  1.0 1.0
   53    51    54    59   0.14700 -1.0 2.0
   53    51    54    59   0.07550  1.0 3.0
   53    57    61    62   1.00000 -1.0 2.0
   53    57    61    64  -1.65800  1.0 1.0
   53    57    61    64   0.77650 -1.0 2.0
   57    53    75    73  -1.65800  1.0 1.0
   57    53    75    73   0.77650 -1.0 2.0
   57    53    75    76   1.00000 -1.0 2.0
   57    61   -64    73  -0.11500  1.0 1.0
   57    61   -64    73   1.10450 -1.0 2.0
   57    61   -64    73  -0.48050  1.0 3.0
   57    61    64    83  -0.11500  1.0 1.0
   57    61    64    83   1.10450 -1.0 2.0
   57    61    64    83  -0.48050  1.0 3.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    64   1.64500 -1.0 2.0
   61    64    73    74   3.62500 -1.0 2.0
   61    64    73    75   3.62500 -1.0 2.0
   61    64    83    81   3.62500 -1.0 2.0
   61    64    83    84   3.62500 -1.0 2.0
   62    61    64    73   1.05000 -1.0 2.0
   62    61    64    83   1.05000 -1.0 2.0
   64    73    74    77   3.62500 -1.0 2.0
   64    73    74    79   3.62500 -1.0 2.0
   64    73   -75    53  -0.11500  1.0 1.0
   64    73   -75    53   1.10450 -1.0 2.0
   64    73   -75    53  -0.48050  1.0 3.0
   64    73    75    76   1.05000 -1.0 2.0
   64    83    84    85   0.84100 -1.0 2.0
   73    64    83    81   3.62500 -1.0 2.0
   73    64    83    84   3.62500 -1.0 2.0
   73    74    77    78   3.62500 -1.0 2.0
   73    74   -77    81   3.62500 -1.0 2.0
   73    74    79    80   0.84100 -1.0 2.0
   74    73    75    53  -0.11500  1.0 1.0
   74    73    75    53   1.10450 -1.0 2.0
   74    73    75    53  -0.48050  1.0 3.0
   74    73    75    76   1.05000 -1.0 2.0
   74    77    81    82   3.62500 -1.0 2.0
   74    77    81    83   3.62500 -1.0 2.0
   77    74    79    80   0.84100 -1.0 2.0
   77    81   -83    64   3.62500 -1.0 2.0
   77    81    83    84   3.62500 -1.0 2.0
   78    77    81    82   3.62500 -1.0 2.0
   78    77    81    83   3.62500 -1.0 2.0
   81    83    84    85   0.84100 -1.0 2.0
   82    81    83    64   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   83    64   -73    74   3.62500 -1.0 2.0
   83    64    73    75   3.62500 -1.0 2.0
   79    74    77    78   3.62500 -1.0 2.0
   79    74    77    81   3.62500 -1.0 2.0
   75    53    57    58   7.00000 -1.0 2.0
   75    53   -57    61   7.00000 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   75    73    74    79   3.62500 -1.0 2.0
   54    51    53    57   0.09850  1.0 1.0
   54    51    53    57   0.15250 -1.0 2.0
   54    51    53    57  -0.50650  1.0 3.0
   54    51    53    75   0.09700  1.0 1.0
   54    51    53    75   0.15600 -1.0 2.0
   54    51    53    75  -0.50800  1.0 3.0
   54    59    63    65   7.00000 -1.0 2.0
   54    59    63    69   7.00000 -1.0 2.0
   55    54    59    60   0.33100  1.0 3.0
   55    54    59    63   0.00000  1.0 1.0
   56    54    59    60   0.33100  1.0 3.0
   56    54    59    63   0.00000  1.0 1.0
   59    63    65    66   0.00000  1.0 1.0
   59    63    65    67   0.00000  1.0 1.0
   59    63    65    68   0.00000  1.0 1.0
   59    63    69    70   0.00000  1.0 1.0
   59    63    69    71   0.00000  1.0 1.0
   59    63    69    72   0.00000  1.0 1.0
   60    59    63    65   7.00000 -1.0 2.0
   60    59    63    69   7.00000 -1.0 2.0
   65    63    69    70   0.34800  1.0 3.0
   65    63    69    71   0.34800  1.0 3.0
   65    63    69    72   0.34800  1.0 3.0
   69    63    65    66   0.34800  1.0 3.0
   69    63    65    67   0.34800  1.0 3.0
   69    63    65    68   0.34800  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
   45    50    48    49  10.50000 -1.0 2.0
   51    75    53    57   1.10000 -1.0 2.0
   61    58    57    53   1.10000 -1.0 2.0
   57    64    61    62  10.50000 -1.0 2.0
   73    83    64    61   4.00000 -1.0 2.0
   74    75    73    64   4.00000 -1.0 2.0
   77    79    74    73   4.00000 -1.0 2.0
   81    78    77    74   1.10000 -1.0 2.0
   83    82    81    77   1.10000 -1.0 2.0
   81    84    83    64   4.00000 -1.0 2.0
   53    73    75    76  10.50000 -1.0 2.0
   54    60    59    63  15.00000 -1.0 2.0
   65    69    63    59  15.00000 -1.0 2.0
END
