* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    159    243     469
    1     0 S   NP   _N1_     1    29.87038    90.65822   -24.09103
    2     1 S   H    _HN1     2     1.02789     2.12219    97.64572
    3     1 S   H    _H1_     3     1.02790   106.06533   -87.41346
    4     1 S   H    _H2_     4     1.03045   108.07077    27.75088
    5     1 S   CT   _CA1     5     1.50196   112.40491   149.73986
    6     5 S   HC   _HA1     6     1.09566   105.29630    59.75806
    7     5 S   CO3  _C1_     7     1.53750   112.52396   -60.52634
    8     7 S   O2Z  _O11     8     1.26346   115.10392   -42.44768
    9     7 S   O2Z  _O12     9     1.26265   114.88075   136.69598
   10     5 S   CT   _CB1    10     1.52905   107.02463   177.60257
   11    10 S   HC   HB11    11     1.09837   109.05776   -51.03552
   12    10 S   HC   HB12    12     1.09849   110.23630    65.20824
   13    10 S   CT   _CG1    13     1.53030   113.47540  -172.55242
   14    13 S   HC   HG11    14     1.09551   110.34934   -61.64814
   15    13 S   HC   HG12    15     1.09572   110.53049    58.01642
   16    13 S   C    _CD1    16     1.51690   110.89213   177.67864
   17    16 S   O    _OE1    17     1.22793   122.70887   -21.50566
   18    16 S   N    _N2_    18     1.38466   112.61499   159.31873
   19    18 S   H    _HN2    19     1.01562   119.30834     4.57226
   20    18 S   CT1  _CA2    20     1.46067   122.88410  -175.57212
   21    20 S   HC   _HA2    21     1.09610   109.32790     3.79560
   22    20 S   C    _C2_    22     1.53256   108.93748  -111.31304
   23    22 S   O    _O2_    23     1.23017   122.28304  -139.47583
   24    20 S   CT   _CB2    32     1.53387   111.80400   125.32588
   25    24 S   HC   HB21    33     1.09650   109.75540    66.87375
   26    24 S   HC   HB22    34     1.09589   110.40511  -175.99391
   27    22 S   N    _N3_    24     1.38515   113.33569    47.85900
   28    27 S   H    _HN3    25     1.01486   119.12239    -0.26467
   29    24 S   S    _SG2    35     1.83110   115.39545   -53.14087
   30    27 S   CT   _CA3    26     1.45405   123.06905   174.17543
   31    30 S   HC   HA31    27     1.09546   108.80907    32.12117
   32    30 S   HC   HA32    28     1.09478   107.20353   149.15636
   33    29 S   CT   _C24    36     1.83252   100.30885   -57.37229
   34    33 S   HC   _H23    37     1.09201   106.59158    64.12371
   35    33 S   HC   _H24    38     1.09411   107.57812   -52.40557
   36    30 S   CO3  _C3_    29     1.53021   113.57615   -90.92931
   37    36 S   O2Z  _O31    30     1.26370   115.73253   -35.45779
   38    36 S   O2Z  _O32    31     1.26404   114.74947   145.44870
   39    33 S   CT   _C22    39     1.54902   114.22810  -175.54341
   40    39 S   CT   _C23    40     1.53675   112.47430    58.83612
   41    40 S   HC   _H20    41     1.09648   110.60015   174.57509
   42    40 S   HC   _H21    42     1.09453   111.93358    53.76456
   43    40 S   HC   _H22    43     1.09515   111.67321   -68.16458
   44    39 S   CT   _C14    44     1.56169   111.73804  -175.91659
   45    44 S   HC   _H5_    45     1.09862   107.76624   170.61263
   46    39 S   OH   _O37    91     1.43958   107.51414   -59.37132
   47    46 S   HO   _H25    92     0.97244   108.20379   176.79698
   48    44 S   CM   _C15    46     1.50799   113.92485   -65.98109
   49    48 S   HC   _H14    47     1.08725   116.78621    62.96686
   50    44 S   OS   _O34    61     1.45110   108.21345    53.73493
   51    48 S   CM   _C16    48     1.34200   123.62013  -118.07881
   52    51 S   HC   _H15    49     1.08540   118.91141     0.43069
   53    50 S   CO4  _C13    62     1.36440   117.84688   149.51127
   54    53 S   O    _O33    63     1.22497   125.78544    -0.24228
   55    51 S   CM   _C17    50     1.44658   122.72086  -179.32045
   56    55 S   HC   _H16    51     1.08942   115.76069    -0.16551
   57    53 S   CT1  _C12    64     1.52373   109.74107   177.64565
   58    57 S   HC   _H4_    65     1.09629   109.28268    24.95598
   59    55 S   CM   _C18    52     1.34282   127.48508   179.80923
   60    59 S   HC   _H17    53     1.08947   116.80086  -179.97202
   61    57 S   CT   _C5_    66     1.54623   110.96149   -98.83285
   62    61 S   HC   _H3_    67     1.09962   108.09439   -57.50696
   63    57 S   N    _N4_    83     1.46288   104.56665   140.85449
   64    63 S   H    _H26    84     1.01619   117.29854    70.24601
   65    59 S   CM   _C19    54     1.44799   127.53135     0.04846
   66    65 S   HC   _H18    55     1.08513   117.81801    -0.08847
   67    61 S   CA   _C6_    68     1.52223   112.29445    61.53376
   68    61 S   CT   _C4_    79     1.53652   111.62838  -174.14981
   69    68 S   HC   _H6_    80     1.09548   111.84353   -56.56039
   70    68 S   HC   _H7_    81     1.09601   110.96703  -176.97179
   71    68 S   HC   _H8_    82     1.09509   111.05921    63.70368
   72    63 S   C    _C25    85     1.38292   123.65362  -102.73357
   73    72 S   O    _O38    86     1.22741   125.86027    -2.38991
   74    65 S   CM   _C20    56     1.34096   122.58741   179.89721
   75    74 S   HC   _H19    57     1.08923   119.91862     0.04423
   76    67 S   CA   _C7_    69     1.40316   121.64857    64.94110
   77    76 S   HA   _H9_    70     1.08655   120.54949     0.71873
   78    72 S   CT   _C26    87     1.50476   112.26196   177.21357
   79    78 S   HC   _H27    88     1.09377   110.19762    50.78815
   80    78 S   HC   _H28    89     1.09352   109.68947   170.45097
   81    78 S   HC   _H29    90     1.09345   109.52644   -69.74618
   82    74 S   CO3  _C21    58     1.53500   121.88871  -179.94405
   83    82 S   O2Z  _O36    59     1.26259   116.95661     0.40734
   84    82 S   O2Z  _O35    60     1.26614   113.88856  -179.62832
   85    76 S   CA   _C8_    71     1.39595   120.76229  -179.32276
   86    85 S   HA   _H10    72     1.08670   119.88273  -179.91153
   87    85 S   CA   _C9_    73     1.39248   120.06455    -0.14804
   88    87 S   HA   _H11    74     1.08606   119.99631  -179.88465
   89    87 S   CA   _C10    75     1.39302   119.87606    -0.04423
   90    89 S   HA   _H12    76     1.08624   119.98088   179.96574
   91    67 S   CA   _C11    77     1.40344   119.83600  -114.56066
   92    91 S   HA   _H13    78     1.08739   120.49650    -0.22814
  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   7   5   4   3
  13   5   4   2   1   1  13   9   4   3   2  12   6   3   1   8
   4   7   6   3  10   4   6   3  15   7   6   3  15   8   9   3
   6   3  13   5   2   1   1   5   4   4   3   8   4   3   2   1
   1   2   1   1   6   3   5   3   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    44    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45    48    50    46    47  
   35    39    40    44    46  
   39    40    44    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48    49    51    50    53    46    47  
   41    42    43    44    45    48    50    46    47  
   42    43    44    46  
   43    44    46  
   44    46  
   45    48    49    51    52    55    50    53    54    57    46    47  
   48    49    51    50    53    46  
   47    48    50  
    0  
   49    51    52    55    56    59    50    53  
   51    52    55    50  
   53    54    57    58    61    63    51  
   52    55    56    59    60    65  
   55    56    59  
   54    57    58    61    62    67    68    63    64    72  
   57    58    61    63  
   56    59    60    65    66    74  
   59    60    65  
   58    61    62    67    76    91    68    69    70    71    63    64    72    73    78  
   61    62    67    68    63    64    72  
   60    65    66    74    75    82  
   65    66    74  
   62    67    76    77    85    89    91    92    68    69    70    71    63    64    72  
   67    76    91    68    69    70    71    63  
   64    72    73    78    79    80    81    67    68  
   72    73    78  
   66    74    75    82    83    84  
   74    75    82  
   76    77    85    86    87    89    90    91    92    68    69    70    71  
   69    70    71    76    91  
   70    71  
   71  
    0  
   73    78    79    80    81  
   78    79    80    81  
   75    82    83    84  
   82    83    84  
   77    85    86    87    88    89    91    92  
   85    86    87    91  
   79    80    81  
   80    81  
   81  
    0  
   83    84  
   84  
    0  
   86    87    88    89    90    91  
   87    88    89  
   88    89    90    91    92  
   89    90    91  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   64   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   74   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    44   268.000  1.529
   39    46   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
   44    45   340.000  1.090
   44    48   317.000  1.510
   44    50   320.000  1.410
   48    49   340.000  1.080
   48    51   549.000  1.340
   51    52   340.000  1.080
   51    55   380.000  1.444
   55    56   340.000  1.080
   55    59   549.000  1.340
   59    60   340.000  1.080
   59    65   380.000  1.444
   65    66   340.000  1.080
   65    74   549.000  1.340
   74    75   340.000  1.080
   74    82   230.000  1.545
   82    83   656.000  1.250
   82    84   656.000  1.250
   50    53   214.000  1.327
   53    54   570.000  1.229
   53    57   255.000  1.522
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    63   337.000  1.449
   61    62   340.000  1.090
   61    67   317.000  1.510
   61    68   268.000  1.529
   67    76   469.000  1.400
   67    91   469.000  1.400
   76    77   367.000  1.080
   76    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   367.000  1.080
   87    89   469.000  1.400
   89    90   367.000  1.080
   89    91   469.000  1.400
   91    92   367.000  1.080
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   63    64   434.000  1.010
   63    72   490.000  1.335
   72    73   570.000  1.229
   72    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   46    47   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    44    58.35000  112.70000
   33    39    46    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    43    37.50000  110.70000
   39    44    45    37.50000  110.70000
   39    44    48    70.00000  112.02700
   39    44    50    50.00000  109.50000
   39    46    47    55.00000  108.50000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
   44    39    40    58.35000  112.70000
   44    48    49    35.00000  117.00000
   44    48    51    70.00000  124.00000
   44    50    53    83.00000  116.90000
   48    44    45    35.00000  109.50000
   48    51    52    35.00000  120.00000
   48    51    55    70.00000  123.01800
   51    48    49    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    59    70.00000  123.01800
   55    51    52    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    65    70.00000  123.01800
   59    55    56    35.00000  120.00000
   59    65    66    35.00000  120.00000
   59    65    74    70.00000  123.01800
   65    59    60    35.00000  120.00000
   65    74    75    35.00000  120.00000
   65    74    82    55.00000  124.75400
   74    65    66    35.00000  120.00000
   74    82    83    85.00000  113.83300
   74    82    84    85.00000  113.83300
   82    74    75    40.00000  118.53000
   84    82    83    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    85.00000  110.90400
   50    53    54    83.00000  123.40000
   50    53    57    90.00000  109.72300
   53    57    58    45.00000  110.09800
   53    57    61    70.00000  110.61500
   53    57    63    80.00000  110.29000
   57    53    54    75.00000  123.42600
   57    61    62    37.50000  110.70000
   57    61    67    63.00000  114.00000
   57    61    68    58.35000  112.70000
   57    63    64    38.00000  118.40000
   57    63    72    50.00000  121.90000
   61    57    58    37.50000  110.70000
   61    67    76    70.00000  120.00000
   61    67    91    70.00000  120.00000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   67    61    62    35.00000  109.50000
   67    76    77    35.00000  120.00000
   67    76    85    63.00000  120.00000
   67    91    89    63.00000  120.00000
   67    91    92    35.00000  120.00000
   76    85    86    35.00000  120.00000
   76    85    87    63.00000  120.00000
   85    76    77    35.00000  120.00000
   85    87    88    35.00000  120.00000
   85    87    89    63.00000  120.00000
   87    85    86    35.00000  120.00000
   87    89    90    35.00000  120.00000
   87    89    91    63.00000  120.00000
   89    87    88    35.00000  120.00000
   89    91    92    35.00000  120.00000
   91    67    76    63.00000  120.00000
   91    89    90    35.00000  120.00000
   68    61    62    37.50000  110.70000
   68    61    67    70.00000  112.17500
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    61    80.00000  109.70000
   63    72    73    80.00000  122.90000
   63    72    78    70.00000  116.60000
   72    63    64    35.00000  119.80000
   72    78    79    35.00000  109.50000
   72    78    80    35.00000  109.50000
   72    78    81    35.00000  109.50000
   78    72    73    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   46    39    40    50.00000  109.50000
   46    39    44    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    42   0.15000  1.0 3.0
   33    39    40    43   0.15000  1.0 3.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    48   0.34400  1.0 1.0
   33    39    44    48   0.09450 -1.0 2.0
   33    39    44    48   0.11100  1.0 3.0
   33    39    44    50   0.62750  1.0 1.0
   33    39    44    50  -0.30950 -1.0 2.0
   33    39    44    50   0.27300  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    44   0.15000  1.0 3.0
   34    33    39    46   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    44   0.15000  1.0 3.0
   35    33    39    46   0.23400  1.0 3.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    51   0.09850  1.0 1.0
   39    44    48    51   0.15250 -1.0 2.0
   39    44    48    51  -0.50650  1.0 3.0
   39    44    50    53  -0.25900  1.0 1.0
   39    44    50    53  -0.47000 -1.0 2.0
   39    44    50    53   0.11750  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.34400  1.0 1.0
   40    39    44    48   0.09450 -1.0 2.0
   40    39    44    48   0.11100  1.0 3.0
   40    39    44    50   0.62750  1.0 1.0
   40    39    44    50  -0.30950 -1.0 2.0
   40    39    44    50   0.27300  1.0 3.0
   40    39    46    47  -0.11600  1.0 1.0
   40    39    46    47  -0.09450 -1.0 2.0
   40    39    46    47   0.21250  1.0 3.0
   44    39    40    41   0.15000  1.0 3.0
   44    39    40    42   0.15000  1.0 3.0
   44    39    40    43   0.15000  1.0 3.0
   44    39    46    47  -0.11600  1.0 1.0
   44    39    46    47  -0.09450 -1.0 2.0
   44    39    46    47   0.21250  1.0 3.0
   44    48    51    52   7.00000 -1.0 2.0
   44    48    51    55   7.00000 -1.0 2.0
   44    50    53    54   3.00000 -1.0 2.0
   44    50    53    57   1.63150  1.0 1.0
   44    50    53    57   2.92000 -1.0 2.0
   45    44    48    49   0.33100  1.0 3.0
   45    44    48    51   0.00000  1.0 1.0
   45    44    50    53   0.08050  1.0 3.0
   48    44    50    53  -0.82050  1.0 1.0
   48    44    50    53   0.00600 -1.0 2.0
   48    44    50    53   0.04400  1.0 3.0
   48    51    55    56  -0.18600  1.0 3.0
   48    51    55    59   0.28850  1.0 1.0
   48    51    55    59   2.61350 -1.0 2.0
   48    51    55    59   0.78400  1.0 3.0
   49    48    51    52   7.00000 -1.0 2.0
   49    48    51    55   7.00000 -1.0 2.0
   51    55    59    60   7.00000 -1.0 2.0
   51    55    59    65   7.00000 -1.0 2.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    59  -0.18600  1.0 3.0
   55    59    65    66  -0.18600  1.0 3.0
   55    59    65    74   0.28850  1.0 1.0
   55    59    65    74   2.61350 -1.0 2.0
   55    59    65    74   0.78400  1.0 3.0
   56    55    59    60   7.00000 -1.0 2.0
   56    55    59    65   7.00000 -1.0 2.0
   59    65    74    75   7.00000 -1.0 2.0
   59    65    74    82   7.00000 -1.0 2.0
   60    59    65    66   0.00000  1.0 1.0
   60    59    65    74  -0.18600  1.0 3.0
   65    74    82    83  -0.04000 -1.0 2.0
   65    74    82    83  -0.29050  1.0 3.0
   65    74    82    84  -0.04000 -1.0 2.0
   65    74    82    84  -0.29050  1.0 3.0
   66    65    74    75   7.00000 -1.0 2.0
   66    65    74    82   7.00000 -1.0 2.0
   75    74    82    83   0.00000  1.0 1.0
   75    74    82    84   0.00000  1.0 1.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    51   0.39000  1.0 1.0
   50    44    48    51  -0.05800 -1.0 2.0
   50    44    48    51  -0.55150  1.0 3.0
   50    53    57    58   0.00000  1.0 1.0
   50    53    57    61   0.36750  1.0 3.0
   50    53    57    63   0.40000  1.0 3.0
   53    57    61    62  -0.03800  1.0 3.0
   53    57    61    67  -0.84850  1.0 1.0
   53    57    61    67  -0.22800 -1.0 2.0
   53    57    61    67   0.29250  1.0 3.0
   53    57    61    68  -0.84850  1.0 1.0
   53    57    61    68  -0.22800 -1.0 2.0
   53    57    61    68   0.29250  1.0 3.0
   53    57    63    64   0.00000  1.0 1.0
   53    57    63    72  -0.29800  1.0 1.0
   53    57    63    72   0.13950 -1.0 2.0
   53    57    63    72  -2.45650  1.0 3.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    61   0.00000  1.0 1.0
   54    53    57    63   0.00000  1.0 1.0
   57    61    67    76   0.00000  1.0 1.0
   57    61    67    91   0.00000  1.0 1.0
   57    61    68    69   0.15000  1.0 3.0
   57    61    68    70   0.15000  1.0 3.0
   57    61    68    71   0.15000  1.0 3.0
   57    63    72    73   3.04450 -1.0 2.0
   57    63    72    78   1.15000  1.0 1.0
   57    63    72    78   3.04450 -1.0 2.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    67   0.23100  1.0 3.0
   58    57    61    68   0.15000  1.0 3.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    72   0.00000  1.0 1.0
   61    57    63    64   0.00000  1.0 1.0
   61    57    63    72   0.25950  1.0 1.0
   61    57    63    72   0.43850 -1.0 2.0
   61    57    63    72   2.61650  1.0 3.0
   61    67    76    77   3.62500 -1.0 2.0
   61    67    76    85   3.62500 -1.0 2.0
   61    67    91    89   3.62500 -1.0 2.0
   61    67    91    92   3.62500 -1.0 2.0
   62    61    67    76   0.00000  1.0 1.0
   62    61    67    91   0.00000  1.0 1.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71   0.15000  1.0 3.0
   67    61    68    69   0.43200  1.0 3.0
   67    61    68    70   0.43200  1.0 3.0
   67    61    68    71   0.43200  1.0 3.0
   67    76    85    86   3.62500 -1.0 2.0
   67    76    85    87   3.62500 -1.0 2.0
   76    67    91    89   3.62500 -1.0 2.0
   76    67    91    92   3.62500 -1.0 2.0
   76    85    87    88   3.62500 -1.0 2.0
   76    85   -87    89   3.62500 -1.0 2.0
   77    76    85    86   3.62500 -1.0 2.0
   77    76    85    87   3.62500 -1.0 2.0
   85    87    89    90   3.62500 -1.0 2.0
   85    87    89    91   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   86    85    87    89   3.62500 -1.0 2.0
   87    89   -91    67   3.62500 -1.0 2.0
   87    89    91    92   3.62500 -1.0 2.0
   88    87    89    90   3.62500 -1.0 2.0
   88    87    89    91   3.62500 -1.0 2.0
   90    89    91    67   3.62500 -1.0 2.0
   90    89    91    92   3.62500 -1.0 2.0
   91    67    76    77   3.62500 -1.0 2.0
   91    67   -76    85   3.62500 -1.0 2.0
   68    61    67    76   0.04150 -1.0 2.0
   68    61    67    91   0.04150 -1.0 2.0
   63    57    61    62   0.23200  1.0 3.0
   63    57    61    67   0.42250  1.0 1.0
   63    57    61    67  -0.48100 -1.0 2.0
   63    57    61    67   0.35650  1.0 3.0
   63    57    61    68   0.42250  1.0 1.0
   63    57    61    68  -0.48100 -1.0 2.0
   63    57    61    68   0.35650  1.0 3.0
   63    72    78    79   0.00000  1.0 1.0
   63    72    78    80   0.00000  1.0 1.0
   63    72    78    81   0.00000  1.0 1.0
   64    63    72    73   2.45000 -1.0 2.0
   64    63    72    78   2.45000 -1.0 2.0
   73    72    78    79   0.00000  1.0 1.0
   73    72    78    80   0.00000  1.0 1.0
   73    72    78    81   0.00000  1.0 1.0
   46    39    40    41   0.23400  1.0 3.0
   46    39    40    42   0.23400  1.0 3.0
   46    39    40    43   0.23400  1.0 3.0
   46    39    44    45   0.23400  1.0 3.0
   46    39    44    48   1.05650  1.0 1.0
   46    39    44    48   0.15600 -1.0 2.0
   46    39    44    48   0.53150  1.0 3.0
   46    39    44    50   3.69350  1.0 1.0
   46    39    44    50  -1.82950 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   44    49    48    51  15.00000 -1.0 2.0
   55    52    51    48  15.00000 -1.0 2.0
   51    56    55    59  15.00000 -1.0 2.0
   65    60    59    55  15.00000 -1.0 2.0
   59    66    65    74  15.00000 -1.0 2.0
   82    75    74    65  15.00000 -1.0 2.0
   83    74    82    84  10.50000 -1.0 2.0
   50    57    53    54  10.50000 -1.0 2.0
   76    91    67    61   4.00000 -1.0 2.0
   85    77    76    67   1.10000 -1.0 2.0
   87    86    85    76   1.10000 -1.0 2.0
   89    88    87    85   1.10000 -1.0 2.0
   91    90    89    87   1.10000 -1.0 2.0
   89    92    91    67   1.10000 -1.0 2.0
   64    72    63    57   1.00000 -1.0 2.0
   63    78    72    73  10.50000 -1.0 2.0
END
