* LIGAND DATABASE FILE (OPLS2005)
*
001      98   105    193    345     591
    1     0 S   NP   _N1_     1    31.07459   100.22326   -25.80374
    2     1 S   H    _HN1     2     1.02853    54.38562   -57.27120
    3     1 S   H    _H1_     3     1.02758    75.09580   177.94329
    4     1 S   H    _H2_     4     1.03481   161.20733   -81.45656
    5     1 S   CT   _CA1     5     1.50059    83.70028    64.13787
    6     5 S   HC   _HA1     6     1.09554   104.89905   131.26921
    7     5 S   CO3  _C1_     7     1.53667   113.17902    10.64950
    8     7 S   O2Z  _O11     8     1.26396   115.08240   -35.76005
    9     7 S   O2Z  _O12     9     1.26240   115.01496   143.48534
   10     5 S   CT   _CB1    10     1.53041   107.45955  -110.36591
   11    10 S   HC   HB11    11     1.09582   109.45920   -40.67438
   12    10 S   HC   HB12    12     1.09834   110.37185    74.91689
   13    10 S   CT   _CG1    13     1.53262   112.94507  -163.37919
   14    13 S   HC   HG11    14     1.09558   110.82061   -98.26882
   15    13 S   HC   HG12    15     1.09603   111.69983    20.95448
   16    13 S   C    _CD1    16     1.51539   109.43088   141.80872
   17    16 S   O    _OE1    17     1.22808   121.80525    85.57316
   18    16 S   N    _N2_    18     1.38563   112.52371   -91.04456
   19    18 S   H    _HN2    19     1.01561   119.21731    -4.37914
   20    18 S   CT1  _CA2    20     1.46153   123.53953   174.12010
   21    20 S   HC   _HA2    21     1.09708   109.25886    -6.81359
   22    20 S   C    _C2_    22     1.53849   109.19155  -122.70555
   23    22 S   O    _O2_    23     1.23110   121.99168  -158.17311
   24    20 S   CT   _CB2    32     1.53474   111.67502   115.55424
   25    24 S   HC   HB21    33     1.09501   109.33413    57.76237
   26    24 S   HC   HB22    34     1.09457   109.62934   176.20605
   27    22 S   N    _N3_    24     1.38306   114.20008    28.36146
   28    27 S   H    _HN3    25     1.01447   119.11997    -2.01383
   29    24 S   S    _SG2    35     1.83107   111.74331   -64.49060
   30    27 S   CT   _CA3    26     1.45325   123.35175   178.15963
   31    30 S   HC   HA31    27     1.09550   107.22654   -70.24843
   32    30 S   HC   HA32    28     1.09560   108.20803    46.10806
   33    29 S   CT   _C17    36     1.90831   102.07753   164.63890
   34    33 S   OM   _O42    37     1.31583   107.05536   -64.52538
   35    30 S   CO3  _C3_    29     1.53014   114.42354   168.25560
   36    35 S   O2Z  _O31    30     1.26422   116.34304    -3.89692
   37    35 S   O2Z  _O32    31     1.26405   114.43840   176.21405
   38    33 S   CM   _C18    38     1.57597   107.23124   175.91774
   39    33 S   CT   _C16    91     1.57000   110.11095    53.74634
   40    39 S   HC   _H6_    92     1.09693   110.44446   -55.06224
   41    38 S   CMA  _C19    39     1.38262   124.31428    62.43852
   42    41 S   OM   _O41    40     1.26993   127.34480    -3.44282
   43    41 S   CA   _C20    41     1.52646   115.45076   176.38805
   44    43 S   CA   _C25    42     1.40077   120.64212    27.11868
   45    44 S   CA   _C24    43     1.40753   122.42334   174.59477
   46    44 S   CO4  _C26    56     1.46654   116.49442    -9.45399
   47    46 S   O    _O35    57     1.22589   119.16997   148.81181
   48    45 S   CA   _C23    44     1.39723   120.48931     1.53544
   49    45 S   OH   _O39    54     1.37136   122.08230  -179.94766
   50    49 S   HO   _H17    55     0.97382   108.88367     8.46464
   51    38 S   CT   _C27    58     1.55072   114.08238  -119.88122
   52    48 S   CA   _C22    45     1.39567   118.30096     0.50319
   53    52 S   HA   _H14    46     1.08786   120.14328   178.94873
   54    48 S   CT   _C33    50     1.50061   121.44067   179.07212
   55    54 S   HC   _H18    51     1.09468   110.15972   -65.44985
   56    54 S   HC   _H19    52     1.09489   110.38946    55.41732
   57    54 S   HC   _H20    53     1.09514   111.54087   174.73694
   58    51 S   CT   _C28    59     1.57792   110.95886   -94.35516
   59    58 S   HC   _H7_    60     1.09493   113.44164   -96.94211
   60    51 S   CT   _C14    87     1.57978   117.34015    24.56213
   61    60 S   HC   _H4_    88     1.09534   114.49692   134.95944
   62    43 S   CA   _C21    47     1.41384   123.48986  -156.11066
   63    58 S   CO4  _C30    61     1.53362   113.38634    28.33094
   64    63 S   O    _O37    62     1.22919   120.92654  -106.83761
   65    60 S   CT   _C15    89     1.50793   115.03422     4.69031
   66    65 S   HC   _H5_    90     1.09073   111.12262    67.55666
   67    58 S   CT   _C29    95     1.52505   104.81221   142.15868
   68    67 S   HC   _H8_    96     1.09442   114.34385  -161.37927
   69    62 S   OH   _O40    48     1.37390   122.83527     5.07690
   70    69 S   HO   _H21    49     0.97619   107.15602    -5.09558
   71    63 S   CT   _C31    63     1.53288   115.52824    76.73105
   72    71 S   HC   _H16    64     1.10375   103.21752    86.39321
   73    65 S   OH   _O43    93     1.42251   111.03388  -173.62280
   74    73 S   HO   _H22    94     0.97244   107.13641   175.54425
   75    67 S   OH   _O36    97     1.42047   111.42648    76.53965
   76    75 S   HO   _H15    98     0.97248   107.53017    63.11490
   77    71 S   CO4  _C32    65     1.51505   118.06801  -162.78881
   78    77 S   O    _O38    66     1.22789   122.54885   -23.84061
   79    77 S   CA   _C8_    67     1.49174   117.62415   161.58170
   80    79 S   CA   _C9_    68     1.40354   120.04915     3.94735
   81    80 S   CA   _C10    69     1.40672   120.03313   176.82787
   82    80 S   CO4  _C11    82     1.48629   119.38024    -4.98303
   83    82 S   O    _O34    83     1.22592   119.47938   154.04176
   84    81 S   CA   _C5_    70     1.40219   120.81275     0.86162
   85    81 S   OH   _O33    80     1.37195   122.27830   179.77794
   86    85 S   HO   _H13    81     0.97361   109.20271     5.72581
   87    71 S   CT   _C12    84     1.54614   110.78194   -28.34999
   88    84 S   CA   _C6_    71     1.39841   118.79759     0.06853
   89    88 S   HA   _H12    72     1.08802   120.08216   179.47511
   90    84 S   CT   _C4_    76     1.50198   121.20153   179.23998
   91    90 S   HC   _H9_    77     1.09474   110.17275   -63.31484
   92    90 S   HC   _H10    78     1.09484   110.31947    57.56387
   93    90 S   HC   _H11    79     1.09512   111.57478   176.98780
   94    87 S   CT   _C13    85     1.57832   109.47599    49.35115
   95    94 S   HC   _H3_    86     1.09475   114.48697   124.98330
   96    79 S   CA   _C7_    73     1.40239   121.02616  -178.03636
   97    96 S   OH   _O44    74     1.36967   123.49045     2.84819
   98    97 S   HO   _H23    75     0.97442   108.73890     2.18695
  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
