* LIGAND DATABASE FILE (OPLS2005)
*
001     108   113    221    370     666
    1     0 S   NP   _N1_     1    29.20281    97.07378   -18.27475
    2     1 S   H    _HN1     2     1.02966    91.32338    41.44773
    3     1 S   H    _H1_     3     1.02833    49.22905   152.90741
    4     1 S   H    _H2_     4     1.02773    69.35981   -67.69133
    5     1 S   CT   _CA1     5     1.50144   155.34586  -166.38137
    6     5 S   HC   _HA1     6     1.09576   105.20113    27.17188
    7     5 S   CO3  _C1_     7     1.53799   112.47721   -92.90103
    8     7 S   O2Z  _O11     8     1.26353   114.98428   -40.21090
    9     7 S   O2Z  _O12     9     1.26244   114.96325   139.00195
   10     5 S   CT   _CB1    10     1.53120   107.39241   145.05113
   11    10 S   HC   HB11    11     1.09814   109.26167   -50.71331
   12    10 S   HC   HB12    12     1.09823   110.41204    65.83940
   13    10 S   CT   _CG1    13     1.52964   112.71363  -171.91218
   14    13 S   HC   HG11    14     1.09535   110.23937   -64.26904
   15    13 S   HC   HG12    15     1.09644   110.11778    54.85905
   16    13 S   C    _CD1    16     1.51822   112.45898   175.06426
   17    16 S   O    _OE1    17     1.22704   123.28570    -9.03305
   18    16 S   N    _N2_    18     1.38585   111.55478   171.68589
   19    18 S   H    _HN2    19     1.01602   118.89167     0.36744
   20    18 S   CT1  _CA2    20     1.46273   123.62617  -179.30705
   21    20 S   HC   _HA2    21     1.09731   109.39491   -16.67836
   22    20 S   C    _C2_    22     1.53436   108.01865  -132.29639
   23    22 S   O    _O2_    23     1.22999   122.32961  -145.03133
   24    20 S   CT   _CB2    32     1.53492   111.19035   105.74697
   25    24 S   HC   HB21    33     1.09369   109.23108    52.54444
   26    24 S   HC   HB22    34     1.09502   110.68526   170.75482
   27    22 S   N    _N3_    24     1.38535   113.27747    42.28347
   28    27 S   H    _HN3    25     1.01534   118.91358    -0.53995
   29    24 S   S    _SG2    35     1.83174   111.45033   -70.68450
   30    27 S   CT   _CA3    26     1.45453   123.45844   175.14163
   31    30 S   HC   HA31    27     1.09522   109.25070    24.01307
   32    30 S   HC   HA32    28     1.09496   107.11369   141.02442
   33    29 S   CT   _C25    36     1.87424   102.45273   142.44289
   34    30 S   CO3  _C3_    29     1.52928   113.12391   -99.47247
   35    34 S   O2Z  _O31    30     1.26402   115.41582   -43.97237
   36    34 S   O2Z  _O32    31     1.26356   114.97498   136.96583
   37    33 S   CT   _C13    37     1.54985   108.18733   -60.44937
   38    37 S   HC   _H48    38     1.09505   110.38101    96.85696
   39    37 S   HC   _H49    39     1.09694   109.83127   -20.50650
   40    33 S   CT   _C28   105     1.53919   107.82676    58.72943
   41    40 S   HC   _H64   106     1.09606   111.68048    60.45429
   42    40 S   HC   _H65   107     1.09498   112.66805   -60.69548
   43    40 S   HC   _H66   108     1.09610   110.90570  -179.10496
   44    37 S   CT   _C21    40     1.52624   111.86077  -139.86337
   45    44 S   HC   _H57    41     1.09257   110.62507   -58.07991
   46    44 S   OS   _O33    42     1.44733   108.51481    59.40463
   47    44 S   CT   _C31    52     1.56062   114.51228   179.53606
   48    47 S   HC   _H72    53     1.09856   105.72884  -174.93825
   49    46 S   CO4  _C7_    43     1.35520   120.34401   -42.84145
   50    49 S   O    _O30    44     1.22789   121.60636   171.21882
   51    47 S   CT   _C19    54     1.55488   112.57016    66.55815
   52    51 S   HC   _H55    55     1.09937   107.57389   -63.13446
   53    47 S   CT   _C29   101     1.53512   111.11522   -60.27014
   54    53 S   HC   _H67   102     1.09454   111.48476    79.84717
   55    53 S   HC   _H68   103     1.09449   111.87223   -41.12825
   56    53 S   HC   _H69   104     1.09273   110.96389  -159.38068
   57    33 S   CT   _C15    45     1.56518   106.11423   178.88953
   58    57 S   HC   _H51    46     1.10029   108.96349   -25.89579
   59    51 S   CT   _C10    56     1.55581   112.18515    54.51118
   60    59 S   HC   _H42    57     1.09600   111.98156    30.54619
   61    59 S   HC   _H43    58     1.09590   110.29614   -89.13810
   62    57 S   CT   _C30    47     1.54083   116.87059  -144.54648
   63    62 S   HC   _H70    48     1.09364   111.48382    56.40631
   64    62 S   HC   _H71    49     1.09160   112.81473   -65.36390
   65    59 S   CT   _C8_    59     1.53424   107.14512   150.29722
   66    65 S   HC   _H38    60     1.09480   111.09686   129.25855
   67    65 S   HC   _H39    61     1.09577   110.50122  -111.39102
   68    62 S   OH   _O36    50     1.42657   110.70756   174.69315
   69    68 S   HO   _H74    51     0.97260   107.78723   -57.69679
   70    65 S   CT   _C17    62     1.52207   104.01110     8.41746
   71    70 S   HC   _H53    63     1.10358   105.76143    78.49759
   72    70 S   CT   _C18    64     1.53718   118.28417  -162.66301
   73    72 S   HC   _H54    65     1.09632   109.56877    62.89761
   74    72 S   CT   _C12    66     1.53185   110.00640   -56.35519
   75    74 S   HC   _H46    67     1.09687   110.31741   -54.43212
   76    74 S   HC   _H47    68     1.09597   110.08047    63.28767
   77    72 S   CT   _C16    81     1.55887   109.46620  -177.52939
   78    77 S   HC   _H52    82     1.10188   105.52021    62.89204
   79    74 S   C3T  _C20    69     1.48206   112.40179  -175.80773
   80    79 S   HC   _H56    70     1.08169   112.78874  -178.66236
   81    77 S   CT   _C9_    83     1.55854   110.22633   -50.92260
   82    81 S   HC   _H40    84     1.09474   110.11842   -71.32740
   83    81 S   HC   _H41    85     1.09413   110.49385   171.93985
   84    79 S   C3T  _C24    71     1.51340   121.77431    27.93884
   85    81 S   CT   _C11    86     1.53809   114.29719    50.54096
   86    85 S   HC   _H44    87     1.09755   108.78818    66.96658
   87    85 S   HC   _H45    88     1.09345   108.07247  -177.90473
   88    84 S   CT   _C14    72     1.51292   117.75786   159.26021
   89    88 S   HC   _H50    73     1.09679   109.03514    -5.94824
   90    51 S   CT   _C23    89     1.56138   119.36530   174.80733
   91    79 S   O3T  _O34   100     1.42379   114.63900   -39.67220
   92    88 S   CM   _C5_    74     1.48957   114.69366  -126.86110
   93    92 S   HC   _H37    75     1.08684   117.44546   166.31368
   94    90 S   CT   _C27    90     1.54772   110.90540   -45.91138
   95    94 S   HC   _H61    91     1.09457   112.41024   -46.54491
   96    94 S   HC   _H62    92     1.09294   112.85374  -167.21210
   97    94 S   HC   _H63    93     1.09498   110.86663    73.27714
   98    88 S   OH   _O35    98     1.42769   109.85256   110.72757
   99    98 S   HO   _H73    99     0.97227   107.80602  -174.93345
  100    92 S   CM   _C4_    76     1.33322   123.82170   -12.61868
  101   100 S   HC   _H36    77     1.08449   121.02863   178.89076
  102   100 S   CO4  _C6_    78     1.48207   121.64382    -2.39711
  103   102 S   O    _O29    79     1.23224   116.74761   179.05581
  104    84 S   CT   _C22    80     1.54027   121.05562    -1.48306
  105   104 S   CT   _C26    94     1.54481   108.75437  -121.75670
  106   105 S   HC   _H58    95     1.09532   111.27494    68.72133
  107   105 S   HC   _H59    96     1.09513   111.67989   -51.18271
  108   105 S   HC   _H60    97     1.09547   112.07150  -169.62445
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  19   2   1   1  17   7   6   8   3   2   1  15   6   9  16   8
   7   3  23   9   5   2   1   1   6   4  11   6   5   4   3   2
  11   5   4   1   1  19   7  19   9  12   6   5  20   8  10   4
  11   6   5  15   8   3   2  11   7   4   5   8   4   3   2   1
   1   3   1   5   3   6   2   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    49    57    58    62    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    49    50    57    58    62    63    64    68    47    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    49    57    58    62    47    48    51    53    40    41    42    43  
   39    44    45    46    57    47    40  
   44    45    46    57    47    40  
   41    42    43    44    49    57    58    62  
   42    43    57  
   43    57  
   57  
   45    46    49    50    57    47    48    51    52    59    90    53    54    55    56  
   46    49    47    48    51    53  
   49    50    57    58    62    47    48    51    53  
   48    51    52    59    60    61    65    70    85    90    94    53    54    55    56    49  
   51    52    59    90    53    54    55    56  
   50    57    58    62    63    64    68  
   57    58    62  
   52    59    60    61    65    66    67    70    71    72    81    85    86    87    90    94    95    96    97    53    54    55    56  
   59    60    61    65    70    85    90    94    53  
   54    55    56    59    90  
   55    56  
   56  
    0  
   58    62    63    64    68    69  
   62    63    64    68  
   60    61    65    66    67    70    71    72    85    90    94  
   61    65    66    67    70    90  
   65    66    67    70    90  
   63    64    68    69  
   64    68    69  
   68    69  
   66    67    70    71    72    73    74    77    85    90    94  
   67    70    71    72    90  
   70    71    72    90  
   69  
    0  
   71    72    73    74    75    76    79   104    77    78    81    85    86    87    90    94    95    96    97  
   72    73    74    77    85    90    94  
   73    74    75    76    79    80    84   102   104    77    78    81    82    83    85    90    94   105    91  
   74    75    76    79   104    77    78    81    90  
   75    76    79    80    84    88   104    77    78    81    90    91  
   76    79    80    84    77    91  
   79    80    84    77    91  
   78    81    82    83    85    86    87    90   105   106   107   108    91    79    84    88   100   102   103   104  
   81    82    83    85   105    84   102   104  
   80    84    88    89    92   102   104   105    98    91  
   84    88   104    91  
   82    83    85    86    87    90    94   105    84   102   104  
   83    85    86    87    90   104  
   85    86    87    90   104  
   88    89    92    93   100   102   103   104   105   106   107   108    98    99    91  
   86    87    90    94    95    96    97   104  
   87    90    94  
   90    94  
   89    92    93   100   101   102   104   105    98    99    91  
   92    93   100   104    98    99    91  
   94    95    96    97  
   92    98   102   104   105  
   93   100   101   102   103   104    98    99  
  100   101   102    98  
   95    96    97  
   96    97  
   97  
    0  
   99   100   104  
    0  
  101   102   103   104   105  
  102   103   104  
  103   104   105   106   107   108  
  104   105  
  105   106   107   108  
  106   107   108  
  107   108  
  108  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   93   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  100   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  102   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    57   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   320.000  1.410
   44    47   268.000  1.529
   46    49   214.000  1.327
   49    50   570.000  1.229
   49    57   317.000  1.522
   57    58   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   320.000  1.410
   68    69   553.000  0.945
   47    48   340.000  1.090
   47    51   268.000  1.529
   47    53   268.000  1.529
   51    52   340.000  1.090
   51    59   268.000  1.529
   51    90   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    90   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   275.000  1.510
   79    80   340.000  1.088
   79    84   260.000  1.509
   79    91   335.000  1.432
   84    88   275.000  1.510
   84   104   275.000  1.510
   84    91   335.000  1.432
   88    89   340.000  1.090
   88    92   317.000  1.510
   88    98   320.000  1.410
   92    93   340.000  1.080
   92   100   549.000  1.340
  100   101   340.000  1.080
  100   102   320.000  1.462
  102   103   570.000  1.229
  102   104   317.000  1.522
  104    77   268.000  1.529
  104   105   268.000  1.529
   77    78   340.000  1.090
   77    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    90   268.000  1.529
   90    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   98    99   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    57    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    57    49    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    62    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    50.00000  109.50000
   37    44    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    46    49    83.00000  116.90000
   44    47    48    37.50000  110.70000
   44    47    51    58.35000  112.70000
   44    47    53    58.35000  112.70000
   46    44    45    35.00000  109.50000
   46    49    50    83.00000  123.40000
   46    49    57    81.00000  111.40000
   49    57    58    35.00000  109.50000
   49    57    62    63.00000  111.10000
   57    33    37    58.35000  112.70000
   57    49    50    80.00000  120.40000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    68    50.00000  109.50000
   62    57    58    37.50000  110.70000
   62    68    69    55.00000  108.50000
   64    62    63    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    35.00000  109.50000
   47    44    45    37.50000  110.70000
   47    44    46    50.00000  109.50000
   47    51    52    37.50000  110.70000
   47    51    59    58.35000  112.70000
   47    51    90    58.35000  112.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    56    37.50000  110.70000
   51    47    48    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    65    58.35000  112.70000
   51    90    70    58.35000  112.70000
   51    90    85    58.35000  112.70000
   51    90    94    58.35000  112.70000
   59    51    52    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    70    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    58.35000  112.70000
   65    70    90    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    58.35000  112.70000
   70    72    77    58.35000  112.70000
   70    90    85    58.35000  112.70000
   70    90    94    58.35000  112.70000
   72    70    71    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    79    70.00000  112.37300
   72    77   104    58.35000  112.70000
   72    77    78    37.50000  110.70000
   72    77    81    58.35000  112.70000
   74    72    73    37.50000  110.70000
   74    79    80    40.00000  115.04500
   74    79    84    60.00000  120.94000
   74    79    91    80.00000  116.47100
   76    74    75    33.00000  107.80000
   79    74    75    45.00000  109.38400
   79    74    76    45.00000  109.38400
   79    84    88    60.00000  120.94000
   79    84   104    60.00000  120.94000
   79    84    91    15.00000   60.43100
   79    91    84    15.00000   59.14900
   84    79    80    37.50000  117.20000
   84    88    89    45.00000  109.38400
   84    88    92    70.00000  112.02700
   84    88    98    50.00000  109.50000
   84   104   102    63.00000  111.10000
   84   104    77    70.00000  112.37300
   84   104   105    70.00000  112.37300
   88    92    93    35.00000  117.00000
   88    92   100    70.00000  124.00000
   88    98    99    55.00000  108.50000
   92    88    89    35.00000  109.50000
   92   100   101    35.00000  120.00000
   92   100   102    65.00000  118.96000
  100    92    93    35.00000  120.00000
  100   102   103    80.00000  123.72100
  100   102   104    65.00000  118.62400
  102   100   101    40.00000  117.72500
  102   104    77    63.00000  111.10000
  102   104   105    63.00000  111.10000
  104    84    88    58.35000  112.70000
  104   102   103    80.00000  120.40000
  104    77    78    37.50000  110.70000
  104    77    81    58.35000  112.70000
  104   105   106    37.50000  110.70000
  104   105   107    37.50000  110.70000
  104   105   108    37.50000  110.70000
   77    72    73    37.50000  110.70000
   77    72    74    58.35000  112.70000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    85    58.35000  112.70000
   81    77    78    37.50000  110.70000
   81    85    86    37.50000  110.70000
   81    85    87    37.50000  110.70000
   81    85    90    58.35000  112.70000
   83    81    82    33.00000  107.80000
   85    81    82    37.50000  110.70000
   85    81    83    37.50000  110.70000
   85    90    94    58.35000  112.70000
   87    85    86    33.00000  107.80000
   90    51    52    37.50000  110.70000
   90    51    59    58.35000  112.70000
   90    70    71    37.50000  110.70000
   90    70    72    58.35000  112.70000
   90    85    86    37.50000  110.70000
   90    85    87    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    96    37.50000  110.70000
   90    94    97    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
  105   104    77    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   98    88    89    35.00000  109.50000
   98    88    92    90.00000  110.39200
   91    79    80    50.00000  114.27700
   91    79    84    15.00000   60.43100
   91    84    88    80.00000  116.47100
   91    84   104    80.00000  116.47100
   53    47    48    37.50000  110.70000
   53    47    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    57    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
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   84   104   105   107   0.15000  1.0 3.0
   84   104   105   108   0.15000  1.0 3.0
   88    84   104   102  -0.95700  1.0 1.0
   88    84   104   102  -0.18200 -1.0 2.0
   88    84   104   102   0.29450  1.0 3.0
   88    84   104    77   0.56750  1.0 1.0
   88    84   104    77  -0.07550 -1.0 2.0
   88    84   104    77   0.20000  1.0 3.0
   88    84   104   105   0.56750  1.0 1.0
   88    84   104   105  -0.07550 -1.0 2.0
   88    84   104   105   0.20000  1.0 3.0
   88    84   -91    79   0.06250  1.0 1.0
   88    84   -91    79  -0.01100 -1.0 2.0
   88    84   -91    79   0.28050  1.0 3.0
   88    92   100   101   7.00000 -1.0 2.0
   88    92  -100   102   7.00000 -1.0 2.0
   89    88    92    93   0.33100  1.0 3.0
   89    88    92   100   0.00000  1.0 1.0
   89    88    98    99   0.19450  1.0 3.0
   92    88    98    99  -0.07800  1.0 1.0
   92    88    98    99  -0.21500 -1.0 2.0
   92    88    98    99  -0.03150  1.0 3.0
   92   100   102   103   1.00000 -1.0 2.0
   92   100   102   104  -0.33500  1.0 1.0
   92   100   102   104   1.06600 -1.0 2.0
   92   100   102   104  -0.14000  1.0 3.0
   93    92   100   101   7.00000 -1.0 2.0
   93    92   100   102   7.00000 -1.0 2.0
  100   102  -104    84   0.65300  1.0 1.0
  100   102  -104    84  -0.03850 -1.0 2.0
  100   102  -104    84   0.33900  1.0 3.0
  100   102   104    77   0.65300  1.0 1.0
  100   102   104    77  -0.03850 -1.0 2.0
  100   102   104    77   0.33900  1.0 3.0
  100   102   104   105   0.65300  1.0 1.0
  100   102   104   105  -0.03850 -1.0 2.0
  100   102   104   105   0.33900  1.0 3.0
  101   100   102   103   0.00000  1.0 1.0
  101   100   102   104   0.04550  1.0 1.0
  101   100   102   104   0.83000 -1.0 2.0
  101   100   102   104  -0.04000  1.0 3.0
  102   104    77    72  -0.95700  1.0 1.0
  102   104    77    72  -0.18200 -1.0 2.0
  102   104    77    72   0.29450  1.0 3.0
  102   104    77    78  -0.11250  1.0 3.0
  102   104    77    81  -0.95700  1.0 1.0
  102   104    77    81  -0.18200 -1.0 2.0
  102   104    77    81   0.29450  1.0 3.0
  102   104   105   106  -0.11250  1.0 3.0
  102   104   105   107  -0.11250  1.0 3.0
  102   104   105   108  -0.11250  1.0 3.0
  103   102   104    84   0.30150 -1.0 2.0
  103   102   104    77   0.30150 -1.0 2.0
  103   102   104   105   0.30150 -1.0 2.0
  104    84    88    89   0.15000  1.0 3.0
  104    84   -88    92   0.34400  1.0 1.0
  104    84   -88    92   0.09450 -1.0 2.0
  104    84   -88    92   0.11100  1.0 3.0
  104    84    88    98   0.86500  1.0 1.0
  104    84    88    98  -0.17500 -1.0 2.0
  104    84    88    98   0.20800  1.0 3.0
  104    84   -91    79   0.06250  1.0 1.0
  104    84   -91    79  -0.01100 -1.0 2.0
  104    84   -91    79   0.28050  1.0 3.0
  104    77    81    82   0.15000  1.0 3.0
  104    77    81    83   0.15000  1.0 3.0
  104    77    81    85   0.56750  1.0 1.0
  104    77    81    85  -0.07550 -1.0 2.0
  104    77    81    85   0.20000  1.0 3.0
   77    72    74    75   0.15000  1.0 3.0
   77    72    74    76   0.15000  1.0 3.0
   77    72   -74    79   0.47050  1.0 1.0
   77    72   -74    79   0.03900 -1.0 2.0
   77    72   -74    79   0.20100  1.0 3.0
   77   104   105   106   0.15000  1.0 3.0
   77   104   105   107   0.15000  1.0 3.0
   77   104   105   108   0.15000  1.0 3.0
   77    81    85    86   0.15000  1.0 3.0
   77    81    85    87   0.15000  1.0 3.0
   77    81    85    90   0.56750  1.0 1.0
   77    81    85    90  -0.07550 -1.0 2.0
   77    81    85    90   0.20000  1.0 3.0
   78    77    81    82   0.15000  1.0 3.0
   78    77    81    83   0.15000  1.0 3.0
   78    77    81    85   0.15000  1.0 3.0
   81    85    90    51   0.56750  1.0 1.0
   81    85    90    51  -0.07550 -1.0 2.0
   81    85    90    51   0.20000  1.0 3.0
   81    85   -90    70   0.56750  1.0 1.0
   81    85   -90    70  -0.07550 -1.0 2.0
   81    85   -90    70   0.20000  1.0 3.0
   81    85    90    94   0.56750  1.0 1.0
   81    85    90    94  -0.07550 -1.0 2.0
   81    85    90    94   0.20000  1.0 3.0
   82    81    85    86   0.15000  1.0 3.0
   82    81    85    87   0.15000  1.0 3.0
   82    81    85    90   0.15000  1.0 3.0
   83    81    85    86   0.15000  1.0 3.0
   83    81    85    87   0.15000  1.0 3.0
   83    81    85    90   0.15000  1.0 3.0
   85    90    94    95   0.15000  1.0 3.0
   85    90    94    96   0.15000  1.0 3.0
   85    90    94    97   0.15000  1.0 3.0
   86    85    90    51   0.15000  1.0 3.0
   86    85    90    70   0.15000  1.0 3.0
   86    85    90    94   0.15000  1.0 3.0
   87    85    90    51   0.15000  1.0 3.0
   87    85    90    70   0.15000  1.0 3.0
   87    85    90    94   0.15000  1.0 3.0
   90    51    59    60   0.15000  1.0 3.0
   90    51    59    61   0.15000  1.0 3.0
   90    51   -59    65   0.56750  1.0 1.0
   90    51   -59    65  -0.07550 -1.0 2.0
   90    51   -59    65   0.20000  1.0 3.0
   90    70    72    73   0.15000  1.0 3.0
   90    70    72    74   0.56750  1.0 1.0
   90    70    72    74  -0.07550 -1.0 2.0
   90    70    72    74   0.20000  1.0 3.0
   90    70   -72    77   0.56750  1.0 1.0
   90    70   -72    77  -0.07550 -1.0 2.0
   90    70   -72    77   0.20000  1.0 3.0
  105   104    77    72   0.56750  1.0 1.0
  105   104    77    72  -0.07550 -1.0 2.0
  105   104    77    72   0.20000  1.0 3.0
  105   104    77    78   0.15000  1.0 3.0
  105   104    77    81   0.56750  1.0 1.0
  105   104    77    81  -0.07550 -1.0 2.0
  105   104    77    81   0.20000  1.0 3.0
   98    88    92    93   0.00000  1.0 1.0
   98    88    92   100   0.67800  1.0 1.0
   98    88    92   100   0.47050 -1.0 2.0
   98    88    92   100  -0.62500  1.0 3.0
   91    79   -84    88   0.02550  1.0 1.0
   91    79   -84    88  -0.02600 -1.0 2.0
   91    79   -84    88   1.20400  1.0 3.0
   91    79   -84   104   0.02550  1.0 1.0
   91    79   -84   104  -0.02600 -1.0 2.0
   91    79   -84   104   1.20400  1.0 3.0
   91    84    88    89   0.23400  1.0 3.0
   91    84    88    92   0.61850  1.0 1.0
   91    84    88    92  -0.22750 -1.0 2.0
   91    84    88    92   0.15300  1.0 3.0
   91    84    88    98   3.69350  1.0 1.0
   91    84    88    98  -1.82950 -1.0 2.0
   91    84   104   102  -0.09450  1.0 1.0
   91    84   104   102  -1.12950 -1.0 2.0
   91    84   104   102   0.54000  1.0 3.0
   91    84   104    77   0.02550  1.0 1.0
   91    84   104    77  -0.02600 -1.0 2.0
   91    84   104    77   1.20400  1.0 3.0
   91    84   104   105   0.02550  1.0 1.0
   91    84   104   105  -0.02600 -1.0 2.0
   91    84   104   105   1.20400  1.0 3.0
   53    47    51    52   0.15000  1.0 3.0
   53    47    51    59   0.56750  1.0 1.0
   53    47    51    59  -0.07550 -1.0 2.0
   53    47    51    59   0.20000  1.0 3.0
   53    47    51    90   0.56750  1.0 1.0
   53    47    51    90  -0.07550 -1.0 2.0
   53    47    51    90   0.20000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    57    49  -0.95700  1.0 1.0
   40    33    57    49  -0.18200 -1.0 2.0
   40    33    57    49   0.29450  1.0 3.0
   40    33    57    58   0.15000  1.0 3.0
   40    33    57    62   0.56750  1.0 1.0
   40    33    57    62  -0.07550 -1.0 2.0
   40    33    57    62   0.20000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   46    57    49    50  10.50000 -1.0 2.0
   88    93    92   100   1.10000 -1.0 2.0
  102   101   100    92   1.10000 -1.0 2.0
  100   104   102   103  10.50000 -1.0 2.0
END
