* LIGAND DATABASE FILE (OPLS2005)
*
001      98   105    193    345     591
    1     0 S   NP   _N1_     1    29.01308    97.61179   -21.62249
    2     1 S   H    _HN1     2     1.02774    88.92228   -72.08128
    3     1 S   H    _H1_     3     1.02953    71.37376    37.77741
    4     1 S   H    _H2_     4     1.02826    48.71717   172.65476
    5     1 S   CT   _CA1     5     1.50146   155.72704   136.11144
    6     5 S   HC   _HA1     6     1.09577   105.13256    87.72725
    7     5 S   CO3  _C1_     7     1.53717   112.70286   -32.23696
    8     7 S   O2Z  _O11     8     1.26372   114.99594   -35.10123
    9     7 S   O2Z  _O12     9     1.26254   114.96894   144.07920
   10     5 S   CT   _CB1    10     1.53072   107.40555  -154.32468
   11    10 S   HC   HB11    11     1.09818   109.12418   -49.84186
   12    10 S   HC   HB12    12     1.09818   110.46759    66.71337
   13    10 S   CT   _CG1    13     1.52952   112.74570  -170.98650
   14    13 S   HC   HG11    14     1.09549   110.47588   -68.29019
   15    13 S   HC   HG12    15     1.09677   109.93497    50.88555
   16    13 S   C    _CD1    16     1.51786   112.46283   170.96647
   17    16 S   O    _OE1    17     1.22697   123.35748    -0.88603
   18    16 S   N    _N2_    18     1.38582   111.45156   179.82754
   19    18 S   H    _HN2    19     1.01580   118.97217     0.36262
   20    18 S   CT1  _CA2    20     1.46301   123.59487   177.25220
   21    20 S   HC   _HA2    21     1.09734   109.50075    -3.29604
   22    20 S   C    _C2_    22     1.53540   108.12372  -118.60894
   23    22 S   O    _O2_    23     1.23029   122.54106  -147.58304
   24    20 S   CT   _CB2    32     1.53336   111.20735   119.07739
   25    24 S   HC   HB21    33     1.09302   109.09393    53.04089
   26    24 S   HC   HB22    34     1.09479   110.25128   171.84209
   27    22 S   N    _N3_    24     1.38426   113.49843    39.94310
   28    27 S   H    _HN3    25     1.01608   119.46080    -3.49693
   29    24 S   S    _SG2    35     1.83292   110.67990   -68.89710
   30    27 S   CT   _CA3    26     1.45267   123.17092   177.06655
   31    30 S   HC   HA31    27     1.09550   107.52872   -63.85944
   32    30 S   HC   HA32    28     1.09557   107.95186    52.55596
   33    29 S   CT   _C17    36     1.87164   102.74242   163.91586
   34    33 S   OM   _O42    37     1.32762   107.16987    54.21413
   35    30 S   CO3  _C3_    29     1.52938   114.12226   174.53073
   36    35 S   O2Z  _O31    30     1.26370   116.07756    -0.92957
   37    35 S   O2Z  _O32    31     1.26434   114.40544   179.11486
   38    33 S   CM   _C18    38     1.57954   110.91938   171.68327
   39    33 S   CT   _C16    91     1.58278   111.90641   -63.25610
   40    39 S   HC   _H6_    92     1.09588   109.17758    63.31159
   41    38 S   CMA  _C19    39     1.38298   124.19185   -52.75539
   42    41 S   OM   _O41    40     1.26993   127.43114    -4.54131
   43    41 S   CA   _C20    41     1.52538   115.48054   175.51756
   44    43 S   CA   _C25    42     1.39987   120.63089    28.18126
   45    44 S   CA   _C24    43     1.40743   122.42286   174.71569
   46    44 S   CO4  _C26    56     1.46592   116.43542    -9.32276
   47    46 S   O    _O35    57     1.22596   119.05768   148.60979
   48    45 S   CA   _C23    44     1.39726   120.48495     1.54535
   49    45 S   OH   _O39    54     1.37133   122.06352  -179.93744
   50    49 S   HO   _H17    55     0.97386   108.85767     8.79641
   51    38 S   CT   _C27    58     1.55346   114.27883   125.89514
   52    48 S   CA   _C22    45     1.39572   118.30143     0.45024
   53    52 S   HA   _H14    46     1.08784   120.15046   178.99790
   54    48 S   CT   _C33    50     1.50059   121.43616   179.06435
   55    54 S   HC   _H18    51     1.09468   110.16103   -65.33639
   56    54 S   HC   _H19    52     1.09489   110.38596    55.52954
   57    54 S   HC   _H20    53     1.09514   111.54271   174.85616
   58    51 S   CT   _C28    59     1.57448   111.07480   -93.71475
   59    58 S   HC   _H7_    60     1.09494   113.42903   -96.18933
   60    51 S   CT   _C14    87     1.57968   117.57009    25.23555
   61    60 S   HC   _H4_    88     1.09535   114.51773   134.55140
   62    43 S   CA   _C21    47     1.41375   123.47048  -154.97589
   63    58 S   CO4  _C30    61     1.52847   113.01729    28.72530
   64    63 S   O    _O37    62     1.23076   121.24632  -106.60794
   65    60 S   CT   _C15    89     1.50535   115.11666     4.35725
   66    65 S   HC   _H5_    90     1.09284   111.58852    67.62277
   67    58 S   CT   _C29    95     1.52271   104.90496   142.88241
   68    67 S   HC   _H8_    96     1.09213   114.25273  -162.54894
   69    62 S   OH   _O40    48     1.37389   122.80293     4.91566
   70    69 S   HO   _H21    49     0.97612   107.14977    -5.61472
   71    63 S   CT   _C31    63     1.53968   116.71134    76.36073
   72    71 S   HC   _H16    64     1.09058   109.63485  -146.82789
   73    65 S   OH   _O43    93     1.42371   110.69869  -173.57547
   74    73 S   HO   _H22    94     0.97277   106.87827   170.95187
   75    67 S   OH   _O36    97     1.42086   111.49688    75.87353
   76    75 S   HO   _H15    98     0.97256   107.52737    63.00740
   77    71 S   CO4  _C32    65     1.53194   109.12044   101.60601
   78    77 S   O    _O38    66     1.22983   120.79372    44.21576
   79    77 S   CA   _C8_    67     1.48299   120.06633  -136.06579
   80    79 S   CA   _C9_    68     1.39437   119.84686   -12.11857
   81    80 S   CA   _C10    69     1.40711   120.28426  -178.92462
   82    80 S   CO4  _C11    82     1.47492   118.91326     1.59839
   83    82 S   O    _O34    83     1.22740   118.02915  -148.28516
   84    81 S   CA   _C5_    70     1.40125   120.80604    -1.21273
   85    81 S   OH   _O33    80     1.37197   122.18849   179.93147
   86    85 S   HO   _H13    81     0.97361   109.15421    -6.88951
   87    71 S   CT   _C12    84     1.54560   110.29470   -26.29843
   88    84 S   CA   _C6_    71     1.39748   118.64088     0.37168
   89    88 S   HA   _H12    72     1.08797   120.14345  -179.98022
   90    84 S   CT   _C4_    76     1.50155   121.27304  -179.39672
   91    90 S   HC   _H9_    77     1.09481   110.26740   -59.31279
   92    90 S   HC   _H10    78     1.09476   110.22108    61.55428
   93    90 S   HC   _H11    79     1.09512   111.58345  -178.82580
   94    87 S   CT   _C13    85     1.58151   110.52668    46.54957
   95    94 S   HC   _H3_    86     1.09637   113.55860   126.56988
   96    79 S   CA   _C7_    73     1.40255   121.38084   167.93977
   97    96 S   OH   _O44    74     1.36903   123.49335    -0.63643
   98    97 S   HO   _H23    75     0.97505   108.83862    17.08652
  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   9   5   4   3
  18   7   2   1   1  19  20   8  11   4  12  13  13  13   3  10
   3   1  16   8   3   4   2   1   1  16   8  14   7   2  12   5
   9   4   8   5   1   1  11   6   3   1   4   1  10   4  12  12
  13   7   2  10   3   1   2   8   3   4   2   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    51    87    65    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    43    46    51    58    71    82    87    94    60    65    66    39    40    73  
   38    41    51    87    65    39    40  
   36    37  
   37  
    0  
   41    42    43    44    62    46    47    51    58    59    63    87    94    60    61    65    39    40    67  
   40    73    74    67    41    51    60    61    63    65    66    71    72    77    80    82    83    87    94    95  
   73    60    65    66    71    82    87    94  
   42    43    44    45    52    62    69    46    51    58    60  
   43    44    62    51  
   44    45    48    52    53    62    69    70    49    46    47    51  
   45    48    52    62    69    54    49    50    46    47    51    58    60  
   48    52    53    62    54    55    56    57    49    50    46    47    51  
   47    51    58    59    63    94    60    61    65    67    48    49    62  
   51    58    60  
   52    53    62    69    54    55    56    57    49    50  
   50    52    54  
    0  
   58    59    63    64    71    87    94    95    60    61    65    66    73    67    68    75  
   53    62    69    70    54    55    56    57  
   62    69    54  
   55    56    57    62  
   56    57  
   57  
    0  
   59    63    64    71    72    77    87    94    95    60    61    65    67    68    75    76  
   63    64    71    94    60    67    68    75  
   61    65    66    73    74    67    68    75    63    71    82    87    94    95  
   65    66    73    67    87    94    95  
   69    70  
   64    71    72    77    78    79    82    87    94    67    68    75  
   71    72    77    87    67  
   66    73    74    67    71    82    87    94    95  
   73    74    87    94  
   68    75    76    71    82    87    94    95  
   75    76    87    94    95  
   70  
    0  
   72    77    78    79    80    96    82    83    87    94    95  
   77    78    79    82    87    94  
   74    87    94  
    0  
   76    87    94    95  
   94  
   78    79    80    81    88    96    97    82    87    94  
   79    80    96    87  
   80    81    84    88    89    96    97    98    85    82    83    87  
   81    84    88    96    97    90    85    86    82    83    87    94  
   84    88    89    96    90    91    92    93    85    86    82    83    87  
   83    87    94    95    84    85    96  
   87    94  
   88    89    96    97    90    91    92    93    85    86  
   86    88    90  
    0  
   94    95  
   89    96    97    98    90    91    92    93  
   96    97    90  
   91    92    93    96  
   92    93  
   93  
    0  
   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  -0.012500   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   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
   90   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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    39   268.000  1.529
   38    41   465.000  1.376
   38    51   317.000  1.510
   41    42   745.000  1.250
   41    43   320.000  1.460
   43    44   469.000  1.400
   43    62   469.000  1.400
   44    45   469.000  1.400
   44    46   310.000  1.470
   45    48   469.000  1.400
   45    49   450.000  1.364
   48    52   469.000  1.400
   48    54   317.000  1.510
   52    53   367.000  1.080
   52    62   469.000  1.400
   62    69   450.000  1.364
   69    70   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   49    50   553.000  0.945
   46    47   570.000  1.229
   46    51   317.000  1.522
   51    58   268.000  1.529
   51    60   268.000  1.529
   58    59   340.000  1.090
   58    63   317.000  1.522
   58    67   268.000  1.529
   63    64   570.000  1.229
   63    71   317.000  1.522
   71    72   340.000  1.090
   71    77   317.000  1.522
   71    87   268.000  1.529
   77    78   570.000  1.229
   77    79   310.000  1.470
   79    80   469.000  1.400
   79    96   469.000  1.400
   80    81   469.000  1.400
   80    82   310.000  1.470
   81    84   469.000  1.400
   81    85   450.000  1.364
   84    88   469.000  1.400
   84    90   317.000  1.510
   88    89   367.000  1.080
   88    96   469.000  1.400
   96    97   450.000  1.364
   97    98   553.000  0.945
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   85    86   553.000  0.945
   82    83   570.000  1.229
   82    87   317.000  1.522
   87    94   268.000  1.529
   87    39   268.000  1.529
   94    95   340.000  1.090
   94    60   268.000  1.529
   94    67   268.000  1.529
   60    61   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    39   268.000  1.529
   65    73   320.000  1.410
   39    40   340.000  1.090
   73    74   553.000  0.945
   67    68   340.000  1.090
   67    75   320.000  1.410
   75    76   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    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    51    65.00000  117.92700
   33    39    87    58.35000  112.70000
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    43    60.00000  123.20500
   38    51    46    70.00000  109.06800
   38    51    58    70.00000  112.02700
   38    51    60    70.00000  112.02700
   41    43    44    60.00000  120.93500
   41    43    62    60.00000  120.93500
   43    41    42    85.00000  114.86500
   43    44    45    63.00000  120.00000
   43    44    46    60.00000  119.52600
   43    62    52    63.00000  120.00000
   43    62    69    70.00000  120.00000
   44    45    48    63.00000  120.00000
   44    45    49    70.00000  120.00000
   44    46    47    75.00000  123.78400
   44    46    51    65.00000  115.47100
   45    48    52    63.00000  120.00000
   45    48    54    70.00000  120.00000
   45    49    50    35.00000  113.00000
   48    52    53    35.00000  120.00000
   48    52    62    63.00000  120.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   52    62    69    70.00000  120.00000
   62    43    44    63.00000  120.00000
   62    52    53    35.00000  120.00000
   62    69    70    35.00000  113.00000
   54    48    52    70.00000  120.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   49    45    48    70.00000  120.00000
   46    44    45    60.00000  119.52600
   46    51    58    63.00000  111.10000
   46    51    60    63.00000  111.10000
   51    38    41    70.00000  124.00000
   51    46    47    80.00000  120.40000
   51    58    59    37.50000  110.70000
   51    58    63    63.00000  111.10000
   51    58    67    58.35000  112.70000
   51    60    94    58.35000  112.70000
   51    60    61    37.50000  110.70000
   51    60    65    58.35000  112.70000
   58    63    64    80.00000  120.40000
   58    63    71    70.00000  116.00000
   58    67    94    58.35000  112.70000
   58    67    68    37.50000  110.70000
   58    67    75    50.00000  109.50000
   63    58    59    35.00000  109.50000
   63    71    72    35.00000  109.50000
   63    71    77    75.00000  107.99600
   63    71    87    63.00000  111.10000
   71    63    64    80.00000  120.40000
   71    77    78    80.00000  120.40000
   71    77    79    65.00000  115.47100
   71    87    82    63.00000  111.10000
   71    87    94    58.35000  112.70000
   71    87    39    58.35000  112.70000
   77    71    72    35.00000  109.50000
   77    79    80    60.00000  119.52600
   77    79    96    60.00000  119.52600
   79    77    78    75.00000  123.78400
   79    80    81    63.00000  120.00000
   79    80    82    60.00000  119.52600
   79    96    88    63.00000  120.00000
   79    96    97    70.00000  120.00000
   80    81    84    63.00000  120.00000
   80    81    85    70.00000  120.00000
   80    82    83    75.00000  123.78400
   80    82    87    65.00000  115.47100
   81    84    88    63.00000  120.00000
   81    84    90    70.00000  120.00000
   81    85    86    35.00000  113.00000
   84    88    89    35.00000  120.00000
   84    88    96    63.00000  120.00000
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    35.00000  109.50000
   88    96    97    70.00000  120.00000
   96    79    80    63.00000  120.00000
   96    88    89    35.00000  120.00000
   96    97    98    35.00000  113.00000
   90    84    88    70.00000  120.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   85    81    84    70.00000  120.00000
   82    80    81    60.00000  119.52600
   82    87    94    63.00000  111.10000
   82    87    39    63.00000  111.10000
   87    71    72    37.50000  110.70000
   87    71    77    63.00000  111.10000
   87    82    83    80.00000  120.40000
   87    94    95    37.50000  110.70000
   87    94    60    58.35000  112.70000
   87    94    67    58.35000  112.70000
   87    39    65    58.35000  112.70000
   87    39    40    37.50000  110.70000
   94    60    61    37.50000  110.70000
   94    60    65    58.35000  112.70000
   94    67    68    37.50000  110.70000
   94    67    75    50.00000  109.50000
   60    51    58    58.35000  112.70000
   60    94    95    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    39    58.35000  112.70000
   60    65    73    50.00000  109.50000
   65    60    61    37.50000  110.70000
   65    39    40    37.50000  110.70000
   65    73    74    55.00000  108.50000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    87    94    58.35000  112.70000
   39    65    66    37.50000  110.70000
   73    65    66    35.00000  109.50000
   73    65    39    50.00000  109.50000
   67    58    59    37.50000  110.70000
   67    58    63    63.00000  111.10000
   67    94    95    37.50000  110.70000
   67    94    60    58.35000  112.70000
   67    75    76    55.00000  108.50000
   75    67    68    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    51   0.30250  1.0 1.0
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   60    65   -39    33  -0.07550 -1.0 2.0
   60    65   -39    33   0.20000  1.0 3.0
   60    65   -39    87   0.56750  1.0 1.0
   60    65   -39    87  -0.07550 -1.0 2.0
   60    65   -39    87   0.20000  1.0 3.0
   60    65    39    40   0.15000  1.0 3.0
   60    65    73    74  -0.11600  1.0 1.0
   60    65    73    74  -0.09450 -1.0 2.0
   60    65    73    74   0.21250  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    39   0.15000  1.0 3.0
   61    60    65    73   0.23400  1.0 3.0
   66    65    39    33   0.15000  1.0 3.0
   66    65    39    87   0.15000  1.0 3.0
   66    65    39    40   0.15000  1.0 3.0
   66    65    73    74   0.19450  1.0 3.0
   39    33    38    41   0.09850  1.0 1.0
   39    33    38    41   0.15250 -1.0 2.0
   39    33    38    41  -0.50650  1.0 3.0
   39    33   -38    51   0.46850  1.0 1.0
   39    33   -38    51   0.08550 -1.0 2.0
   39    33   -38    51   0.09800  1.0 3.0
   39    87    94    95   0.15000  1.0 3.0
   39    87   -94    60   0.56750  1.0 1.0
   39    87   -94    60  -0.07550 -1.0 2.0
   39    87   -94    60   0.20000  1.0 3.0
   39    87    94    67   0.56750  1.0 1.0
   39    87    94    67  -0.07550 -1.0 2.0
   39    87    94    67   0.20000  1.0 3.0
   39    65    73    74  -0.11600  1.0 1.0
   39    65    73    74  -0.09450 -1.0 2.0
   39    65    73    74   0.21250  1.0 3.0
   73    65    39    33   0.86500  1.0 1.0
   73    65    39    33  -0.17500 -1.0 2.0
   73    65    39    33   0.20800  1.0 3.0
   73    65    39    87   0.86500  1.0 1.0
   73    65    39    87  -0.17500 -1.0 2.0
   73    65    39    87   0.20800  1.0 3.0
   73    65    39    40   0.23400  1.0 3.0
   67    58    63    64   0.30150 -1.0 2.0
   67    58   -63    71   0.60050  1.0 1.0
   67    58   -63    71   0.05600 -1.0 2.0
   67    58   -63    71   0.26150  1.0 3.0
   67    94   -60    51   0.56750  1.0 1.0
   67    94   -60    51  -0.07550 -1.0 2.0
   67    94   -60    51   0.20000  1.0 3.0
   67    94    60    61   0.15000  1.0 3.0
   67    94    60    65   0.56750  1.0 1.0
   67    94    60    65  -0.07550 -1.0 2.0
   67    94    60    65   0.20000  1.0 3.0
   68    67    75    76   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
   36    30    35    37  10.50000 -1.0 2.0
   33    51    38    41   1.10000 -1.0 2.0
   43    42    41    38   1.10000 -1.0 2.0
   44    62    43    41   4.00000 -1.0 2.0
   45    46    44    43   4.00000 -1.0 2.0
   48    49    45    44   4.00000 -1.0 2.0
   52    54    48    45   4.00000 -1.0 2.0
   62    53    52    48   1.10000 -1.0 2.0
   52    69    62    43   4.00000 -1.0 2.0
   44    51    46    47  10.50000 -1.0 2.0
   58    71    63    64  10.50000 -1.0 2.0
   71    79    77    78  10.50000 -1.0 2.0
   80    96    79    77   4.00000 -1.0 2.0
   81    82    80    79   4.00000 -1.0 2.0
   84    85    81    80   4.00000 -1.0 2.0
   88    90    84    81   4.00000 -1.0 2.0
   96    89    88    84   1.10000 -1.0 2.0
   88    97    96    79   4.00000 -1.0 2.0
   80    87    82    83  10.50000 -1.0 2.0
END
