* LIGAND DATABASE FILE (OPLS2005)
*
001      98   105    193    344     590
    1     0 S   NP   _N1_     1    29.12108    97.72422   -18.32367
    2     1 S   H    _HN1     2     1.02749    67.69893   -63.14656
    3     1 S   H    _H1_     3     1.02973    90.16054    46.79243
    4     1 S   H    _H2_     4     1.02815    51.87848   158.30267
    5     1 S   CT   _CA1     5     1.50314   157.54412  -158.10915
    6     5 S   HC   _HA1     6     1.09578   105.04428    23.99477
    7     5 S   CO3  _C1_     7     1.54084   112.51533   -95.36166
    8     7 S   O2Z  _O11     8     1.26360   114.93092   -28.68111
    9     7 S   O2Z  _O12     9     1.26343   115.23985   149.99985
   10     5 S   CT   _CB1    10     1.53167   107.12521   141.72439
   11    10 S   HC   HB11    11     1.09807   109.51088   -47.92332
   12    10 S   HC   HB12    12     1.09763   110.17389    68.61703
   13    10 S   CT   _CG1    13     1.52794   112.70050  -169.02443
   14    13 S   HC   HG11    14     1.09347   110.01923   -61.57699
   15    13 S   HC   HG12    15     1.09642   110.14410    57.18592
   16    13 S   C    _CD1    16     1.51878   112.85872   177.47617
   17    16 S   O    _OE1    17     1.22688   123.34374   -16.17602
   18    16 S   N    _N2_    18     1.38538   111.28835   165.60580
   19    18 S   H    _HN2    19     1.01550   118.71871     0.07662
   20    18 S   CT1  _CA2    20     1.46218   124.21013  -178.59444
   21    20 S   HC   _HA2    21     1.09715   109.58223   -12.06714
   22    20 S   C    _C2_    22     1.53504   107.95968  -127.63554
   23    22 S   O    _O2_    23     1.23017   122.42252  -146.04478
   24    20 S   CT   _CB2    32     1.53447   110.59036   110.59739
   25    24 S   HC   HB21    33     1.09232   108.84335    46.91653
   26    24 S   HC   HB22    34     1.09456   111.10222   165.73234
   27    22 S   N    _N3_    24     1.38581   113.34271    41.50710
   28    27 S   H    _HN3    25     1.01528   118.82095    -0.78210
   29    24 S   S    _SG2    35     1.82778   111.22977   -75.38547
   30    27 S   CT   _CA3    26     1.45420   123.43227   175.28387
   31    30 S   HC   HA31    27     1.09527   109.20409    25.38730
   32    30 S   HC   HA32    28     1.09498   107.14092   142.34496
   33    29 S   CT   _C33    36     1.88305   102.01703   147.78128
   34    33 S   OM   _O41    37     1.32350   108.15819   173.79000
   35    30 S   CO3  _C3_    29     1.52904   113.08694   -98.08682
   36    35 S   O2Z  _O31    30     1.26407   115.37880   -46.57374
   37    35 S   O2Z  _O32    31     1.26354   115.01600   134.38607
   38    33 S   CA   _C27    38     1.54251   108.61857    57.79557
   39    38 S   CA   _C26    39     1.40337   120.85548  -108.13483
   40    39 S   CA   _C31    40     1.41164   121.57059   176.72207
   41    39 S   CO4  _C25    53     1.47410   118.38136    -1.81327
   42    41 S   O    _O38    54     1.22857   118.03263   146.82073
   43    40 S   CA   _C30    41     1.39892   121.05366     0.32385
   44    40 S   OH   _O39    51     1.37311   122.17219   179.81762
   45    44 S   HO   _H17    52     0.97344   109.01945     8.78143
   46    41 S   CT   _C19    55     1.52588   117.99610   -34.49850
   47    43 S   CA   _C29    42     1.39340   118.35988    -1.08858
   48    47 S   HA   _H16    43     1.08757   120.29007  -179.09539
   49    43 S   CT   _C32    47     1.50091   121.42925   179.84051
   50    49 S   HC   _H18    48     1.09486   110.33047   -57.77565
   51    49 S   HC   _H19    49     1.09474   110.19842    63.10502
   52    49 S   HC   _H20    50     1.09515   111.57153  -177.19411
   53    33 S   CM   _C18    56     1.55940   109.36961   -70.23211
   54    46 S   CT   _C20    69     1.57554   110.52952   -70.08264
   55    54 S   HC   _H7_    70     1.09510   112.85492    19.31382
   56    38 S   CA   _C28    44     1.41887   123.02605    67.48443
   57    53 S   CMA  _C17    57     1.37406   125.16322   -55.57836
   58    57 S   OM   _O42    58     1.26321   132.88499     1.77773
   59    54 S   CO4  _C22    71     1.53274   114.22050   145.10639
   60    59 S   O    _O36    72     1.23015   120.94501  -114.95394
   61    56 S   OH   _O40    45     1.37433   122.31097     2.52212
   62    61 S   HO   _H21    46     0.97608   107.12231     7.46787
   63    57 S   CT   _C16    59     1.53761   117.07438  -179.62051
   64    63 S   HC   _H6_    60     1.09829   112.30104  -168.84363
   65    59 S   CT   _C23    73     1.53374   116.18658    71.03306
   66    65 S   HC   _H15    74     1.10322   102.90623    96.29544
   67    63 S   CT   _C15    61     1.53075   104.71767   -51.35794
   68    67 S   HC   _H5_    62     1.09463   114.59968   -39.33936
   69    65 S   CO4  _C24    75     1.51239   117.37267  -150.34908
   70    69 S   O    _O37    76     1.22617   123.09331   -12.36520
   71    46 S   CT   _C14    63     1.58552   108.44206   176.98526
   72    71 S   HC   _H4_    64     1.09487   114.93349    15.58403
   73    69 S   CA   _C8_    77     1.49433   116.54048   172.41209
   74    67 S   OH   _O43    97     1.42034   111.81494  -162.38968
   75    74 S   HO   _H22    98     0.97614   107.29641    61.21772
   76    71 S   CT   _C13    65     1.53347   102.84591   134.84152
   77    76 S   HC   _H3_    66     1.09469   110.71367  -161.58906
   78    73 S   CA   _C9_    78     1.40772   120.08915    -5.57468
   79    76 S   CT   _C21    67     1.52397   101.98544   -42.63546
   80    79 S   HC   _H8_    68     1.09521   112.11072   173.03891
   81    78 S   CA   _C10    79     1.40720   119.78354   176.20682
   82    78 S   CO4  _C11    92     1.49274   119.57300    -5.42921
   83    82 S   O    _O34    93     1.22603   119.92380   160.16315
   84    81 S   CA   _C5_    80     1.40292   120.86811     0.76002
   85    81 S   OH   _O33    90     1.37219   122.41473   179.79633
   86    85 S   HO   _H13    91     0.97343   109.15215     0.22728
   87    63 S   CT   _C12    94     1.59519   115.99680    62.52500
   88    79 S   OH   _O35    95     1.42017   111.17302   -66.36948
   89    88 S   HO   _H14    96     0.97245   107.49341   174.19920
   90    84 S   CA   _C6_    81     1.39842   118.87632     0.48779
   91    90 S   HA   _H12    82     1.08789   120.06864   179.14179
   92    84 S   CT   _C4_    86     1.50201   121.16433   179.02041
   93    92 S   HC   _H9_    87     1.09474   110.12929   -64.82877
   94    92 S   HC   _H10    88     1.09486   110.38004    56.06669
   95    92 S   HC   _H11    89     1.09512   111.55943   175.41162
   96    73 S   CA   _C7_    83     1.40221   120.84040   172.17208
   97    96 S   OH   _O44    84     1.36969   123.51506     3.09541
   98    97 S   HO   _H23    85     0.97453   108.68993     4.77003
  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   8   5   4   3
  15   6   2   1   1  14  14  13  15   4  10   3   1  20   8   3
   4   2   1   1  14  17   8   2  11   4  14   5   1   1  17   8
  14   6  10   6  10   4  10   5  12   3   1   9   5  11   5   3
  13   5   1  10   3   1   1   1   1   8   3   4   2   1   1   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    56    46    53    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    47    56    61    41    46    53    57    58    63    71    54  
   38    39    56    46    53    57  
   36    37  
   37  
    0  
   39    40    43    47    48    56    61    62    44    41    42    46    53    57  
   40    43    47    56    61    49    44    45    41    42    46    53    71    54  
   43    47    48    56    49    50    51    52    44    45    41    42    46  
   42    46    53    57    67    71    72    76    79    54    55    59    43    44    56  
   46    53    71    54  
   47    48    56    61    49    50    51    52    44    45  
   45    47    49  
    0  
   53    57    58    63    67    68    71    72    76    77    79    80    54    55    59    60    65    87    88    74  
   48    56    61    62    49    50    51    52  
   56    61    49  
   50    51    52    56  
   51    52  
   52  
    0  
   57    58    63    64    67    71    72    76    79    54    55    59    87    56  
   55    59    60    65    66    69    87    88    89    57    67    71    72    76    77    79    80  
   59    60    65    88    71    76    79    80  
   61    62  
   58    63    64    67    68    71    76    65    82    87    74  
   63    64    67    87  
   60    65    66    69    70    73    82    87    88    63    71    76    79    80  
   65    66    69    87    79  
   62  
    0  
   64    67    68    71    72    76    77    79    65    66    69    78    82    83    87    74    75  
   67    68    71    76    65    82    87    74  
   66    69    70    73    78    96    82    83    87    67    71    76    77    79  
   69    70    73    82    87    76  
   68    71    72    76    77    79    82    87    74    75  
   71    72    76    87    74    75  
   70    73    78    81    90    96    97    82    87    76  
   73    78    96    87  
   72    76    77    79    80    82    87    88    74    75  
   76    77    79    87    74  
   78    81    84    90    91    96    97    98    85    82    83    87  
   75    76    87  
    0  
   77    79    80    78    82    83    87    88    89  
   79    80    82    87    88  
   81    84    90    96    97    92    85    86    82    83    87  
   80    82    87    88    89  
   87    88    89  
   84    90    91    96    92    93    94    95    85    86    82    83    87  
   83    87    84    85    96  
   87  
   90    91    96    97    92    93    94    95    85    86  
   86    90    92  
    0  
   88  
   89  
    0  
   91    96    97    98    92    93    94    95  
   96    97    92  
   93    94    95    96  
   94    95  
   95  
    0  
   97    98  
   98  
    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  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   85   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   97   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   98   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    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   570.000  1.307
   33    38   317.000  1.510
   33    53   317.000  1.510
   38    39   469.000  1.400
   38    56   469.000  1.400
   39    40   469.000  1.400
   39    41   310.000  1.470
   40    43   469.000  1.400
   40    44   450.000  1.364
   43    47   469.000  1.400
   43    49   317.000  1.510
   47    48   367.000  1.080
   47    56   469.000  1.400
   56    61   450.000  1.364
   61    62   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   44    45   553.000  0.945
   41    42   570.000  1.229
   41    46   317.000  1.522
   46    53   317.000  1.510
   46    71   268.000  1.529
   46    54   268.000  1.529
   53    57   465.000  1.376
   57    58   745.000  1.250
   57    63   270.000  1.512
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    87   268.000  1.529
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    74   320.000  1.410
   71    72   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    79   268.000  1.529
   76    87   268.000  1.529
   79    80   340.000  1.090
   79    54   268.000  1.529
   79    88   320.000  1.410
   54    55   340.000  1.090
   54    59   317.000  1.522
   59    60   570.000  1.229
   59    65   317.000  1.522
   65    66   340.000  1.090
   65    69   317.000  1.522
   65    87   268.000  1.529
   69    70   570.000  1.229
   69    73   310.000  1.470
   73    78   469.000  1.400
   73    96   469.000  1.400
   78    81   469.000  1.400
   78    82   310.000  1.470
   81    84   469.000  1.400
   81    85   450.000  1.364
   84    90   469.000  1.400
   84    92   317.000  1.510
   90    91   367.000  1.080
   90    96   469.000  1.400
   96    97   450.000  1.364
   97    98   553.000  0.945
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   85    86   553.000  0.945
   82    83   570.000  1.229
   82    87   317.000  1.522
   88    89   553.000  0.945
   74    75   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    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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    53    75.00000  112.20000
   33    38    39    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    53    46    65.00000  117.92700
   33    53    57    70.00000  124.00000
   38    33    34    85.00000  111.85700
   38    39    40    63.00000  120.00000
   38    39    41    60.00000  119.52600
   38    56    47    63.00000  120.00000
   38    56    61    70.00000  120.00000
   39    40    43    63.00000  120.00000
   39    40    44    70.00000  120.00000
   39    41    42    75.00000  123.78400
   39    41    46    65.00000  115.47100
   40    43    47    63.00000  120.00000
   40    43    49    70.00000  120.00000
   40    44    45    35.00000  113.00000
   43    47    48    35.00000  120.00000
   43    47    56    63.00000  120.00000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    35.00000  109.50000
   47    56    61    70.00000  120.00000
   56    38    39    63.00000  120.00000
   56    47    48    35.00000  120.00000
   56    61    62    35.00000  113.00000
   49    43    47    70.00000  120.00000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   44    40    43    70.00000  120.00000
   41    39    40    60.00000  119.52600
   41    46    53    70.00000  109.06800
   41    46    71    63.00000  111.10000
   41    46    54    63.00000  111.10000
   46    41    42    80.00000  120.40000
   46    53    57    70.00000  124.00000
   46    71    67    58.35000  112.70000
   46    71    72    37.50000  110.70000
   46    71    76    58.35000  112.70000
   46    54    79    58.35000  112.70000
   46    54    55    37.50000  110.70000
   46    54    59    63.00000  111.10000
   53    33    34    85.00000  110.90400
   53    33    38    70.00000  112.99600
   53    57    58    65.00000  137.10300
   53    57    63    65.00000  122.18000
   57    63    64    45.00000  110.52000
   57    63    67    70.00000  112.02700
   57    63    87    70.00000  112.02700
   63    57    58    85.00000  112.85300
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    74    50.00000  109.50000
   63    87    76    58.35000  112.70000
   63    87    65    58.35000  112.70000
   63    87    82    63.00000  111.10000
   67    63    64    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    76    58.35000  112.70000
   67    74    75    55.00000  108.50000
   71    46    53    70.00000  112.02700
   71    67    68    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    79    58.35000  112.70000
   71    76    87    58.35000  112.70000
   76    71    72    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    54    58.35000  112.70000
   76    79    88    50.00000  109.50000
   76    87    65    58.35000  112.70000
   76    87    82    63.00000  111.10000
   79    76    77    37.50000  110.70000
   79    54    55    37.50000  110.70000
   79    54    59    63.00000  111.10000
   79    88    89    55.00000  108.50000
   54    46    53    70.00000  112.02700
   54    46    71    58.35000  112.70000
   54    79    80    37.50000  110.70000
   54    59    60    80.00000  120.40000
   54    59    65    70.00000  116.00000
   59    54    55    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    69    75.00000  107.99600
   59    65    87    63.00000  111.10000
   65    59    60    80.00000  120.40000
   65    69    70    80.00000  120.40000
   65    69    73    65.00000  115.47100
   65    87    82    63.00000  111.10000
   69    65    66    35.00000  109.50000
   69    73    78    60.00000  119.52600
   69    73    96    60.00000  119.52600
   73    69    70    75.00000  123.78400
   73    78    81    63.00000  120.00000
   73    78    82    60.00000  119.52600
   73    96    90    63.00000  120.00000
   73    96    97    70.00000  120.00000
   78    81    84    63.00000  120.00000
   78    81    85    70.00000  120.00000
   78    82    83    75.00000  123.78400
   78    82    87    65.00000  115.47100
   81    84    90    63.00000  120.00000
   81    84    92    70.00000  120.00000
   81    85    86    35.00000  113.00000
   84    90    91    35.00000  120.00000
   84    90    96    63.00000  120.00000
   84    92    93    35.00000  109.50000
   84    92    94    35.00000  109.50000
   84    92    95    35.00000  109.50000
   90    96    97    70.00000  120.00000
   96    73    78    63.00000  120.00000
   96    90    91    35.00000  120.00000
   96    97    98    35.00000  113.00000
   92    84    90    70.00000  120.00000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   85    81    84    70.00000  120.00000
   82    78    81    60.00000  119.52600
   87    63    64    37.50000  110.70000
   87    63    67    58.35000  112.70000
   87    76    77    37.50000  110.70000
   87    76    79    58.35000  112.70000
   87    65    66    37.50000  110.70000
   87    65    69    63.00000  111.10000
   87    82    83    80.00000  120.40000
   88    79    80    35.00000  109.50000
   88    79    54    50.00000  109.50000
   74    67    68    35.00000  109.50000
   74    67    71    50.00000  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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    53  -0.62250  1.0 1.0
   24    29    33    53  -0.38450 -1.0 2.0
   24    29    33    53   0.81900  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  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
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   90    84    92    95   0.00000  1.0 1.0
   90    96    97    98   0.84100 -1.0 2.0
   91    90    96    73   3.62500 -1.0 2.0
   91    90    96    97   3.62500 -1.0 2.0
   96    73   -78    81   3.62500 -1.0 2.0
   96    73    78    82   3.62500 -1.0 2.0
   92    84    90    91   3.62500 -1.0 2.0
   92    84    90    96   3.62500 -1.0 2.0
   85    81    84    90   3.62500 -1.0 2.0
   85    81    84    92   3.62500 -1.0 2.0
   82    78    81    84   3.62500 -1.0 2.0
   82    78    81    85   3.62500 -1.0 2.0
   83    82    87    63   0.30150 -1.0 2.0
   83    82    87    76   0.30150 -1.0 2.0
   83    82    87    65   0.30150 -1.0 2.0
   87    63    67    68   0.15000  1.0 3.0
   87    63   -67    71   0.56750  1.0 1.0
   87    63   -67    71  -0.07550 -1.0 2.0
   87    63   -67    71   0.20000  1.0 3.0
   87    63    67    74   0.86500  1.0 1.0
   87    63    67    74  -0.17500 -1.0 2.0
   87    63    67    74   0.20800  1.0 3.0
   87    76    79    80   0.15000  1.0 3.0
   87    76   -79    54   0.56750  1.0 1.0
   87    76   -79    54  -0.07550 -1.0 2.0
   87    76   -79    54   0.20000  1.0 3.0
   87    76    79    88   0.86500  1.0 1.0
   87    76    79    88  -0.17500 -1.0 2.0
   87    76    79    88   0.20800  1.0 3.0
   87    65    69    70   0.30150 -1.0 2.0
   87    65   -69    73   0.05850 -1.0 2.0
   87    65   -69    73   0.17250  1.0 3.0
   88    79    54    46   0.86500  1.0 1.0
   88    79    54    46  -0.17500 -1.0 2.0
   88    79    54    46   0.20800  1.0 3.0
   88    79    54    55   0.23400  1.0 3.0
   88    79    54    59  -0.09450  1.0 1.0
   88    79    54    59  -1.12950 -1.0 2.0
   88    79    54    59   0.54000  1.0 3.0
   74    67    71    46   0.86500  1.0 1.0
   74    67    71    46  -0.17500 -1.0 2.0
   74    67    71    46   0.20800  1.0 3.0
   74    67    71    72   0.23400  1.0 3.0
   74    67    71    76   0.86500  1.0 1.0
   74    67    71    76  -0.17500 -1.0 2.0
   74    67    71    76   0.20800  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
   39    56    38    33   4.00000 -1.0 2.0
   40    41    39    38   4.00000 -1.0 2.0
   43    44    40    39   4.00000 -1.0 2.0
   47    49    43    40   4.00000 -1.0 2.0
   56    48    47    43   1.10000 -1.0 2.0
   47    61    56    38   4.00000 -1.0 2.0
   39    46    41    42  10.50000 -1.0 2.0
   33    46    53    57   1.10000 -1.0 2.0
   63    58    57    53   1.10000 -1.0 2.0
   54    65    59    60  10.50000 -1.0 2.0
   65    73    69    70  10.50000 -1.0 2.0
   78    96    73    69   4.00000 -1.0 2.0
   81    82    78    73   4.00000 -1.0 2.0
   84    85    81    78   4.00000 -1.0 2.0
   90    92    84    81   4.00000 -1.0 2.0
   96    91    90    84   1.10000 -1.0 2.0
   90    97    96    73   4.00000 -1.0 2.0
   78    87    82    83  10.50000 -1.0 2.0
END
