* LIGAND DATABASE FILE (OPLS2005)
*
001     114   117    218    343     653
    1     0 S   NP   _N1_     1    29.15613    91.77364   -21.67839
    2     1 S   H    _HN1     2     1.02775   100.52258   -67.20948
    3     1 S   H    _H1_     3     1.02966    98.43334    43.34872
    4     1 S   H    _H2_     4     1.02835    14.51749   170.77514
    5     1 S   CT   _CA1     5     1.50132   125.20595   165.71310
    6     5 S   HC   _HA1     6     1.09578   105.21565    60.47502
    7     5 S   CO3  _C1_     7     1.53773   112.41329   -59.64170
    8     7 S   O2Z  _O11     8     1.26350   115.00010   -42.93513
    9     7 S   O2Z  _O12     9     1.26243   114.91841   136.21839
   10     5 S   CT   _CB1    10     1.53095   107.40693   178.30858
   11    10 S   HC   HB11    11     1.09822   109.21703   -51.40662
   12    10 S   HC   HB12    12     1.09829   110.45298    65.08653
   13    10 S   CT   _CG1    13     1.53026   112.74112  -172.58953
   14    13 S   HC   HG11    14     1.09595   110.34460   -64.60852
   15    13 S   HC   HG12    15     1.09644   110.08801    54.64214
   16    13 S   C    _CD1    16     1.51792   112.26446   174.83931
   17    16 S   O    _OE1    17     1.22792   123.18295    -5.65340
   18    16 S   N    _N2_    18     1.38734   111.71296   174.68581
   19    18 S   H    _HN2    19     1.01599   119.11117    -0.20936
   20    18 S   CT1  _CA2    20     1.46078   123.16316  -179.60140
   21    20 S   HC   _HA2    21     1.09547   108.87480   -17.30106
   22    20 S   C    _C2_    22     1.53428   108.79049  -132.15316
   23    22 S   O    _O2_    23     1.23023   122.14358  -148.27966
   24    20 S   CT   _CB2    32     1.53614   112.19033   105.24565
   25    24 S   HC   HB21    33     1.09659   109.42530    64.42915
   26    24 S   HC   HB22    34     1.09580   110.78203  -178.42467
   27    22 S   N    _N3_    24     1.38489   113.40016    39.40518
   28    27 S   H    _HN3    25     1.01525   118.92557    -0.83039
   29    24 S   S    _SG2    35     1.82841   115.12352   -55.24216
   30    27 S   CT   _CA3    26     1.45438   123.37847   174.41489
   31    30 S   HC   HA31    27     1.09527   109.14157    26.31216
   32    30 S   HC   HA32    28     1.09490   107.15600   143.36155
   33    29 S   CT   _C31    36     1.83622   100.05951   -69.01962
   34    33 S   HC   _H3_    37     1.08946   106.20229   -69.99682
   35    33 S   HC   _H4_    38     1.09136   107.14545    45.15958
   36    30 S   CO3  _C3_    29     1.52953   113.16029   -97.04603
   37    36 S   O2Z  _O31    30     1.26402   115.46111   -42.20376
   38    36 S   O2Z  _O32    31     1.26361   114.93834   138.68885
   39    33 S   CT   _C26    39     1.55999   113.22411   164.71306
   40    39 S   CT   _C23    40     1.53600   113.67440    62.88804
   41    40 S   HC   _H62    41     1.09284   113.29150   -50.71749
   42    39 S   OH   _O39   113     1.41895   105.38127   -58.52876
   43    42 S   HO   _H79   114     0.97364   108.49970   -53.80996
   44    40 S   CT   _C15    42     1.52803   103.28247    70.24237
   45    44 S   HC   _H51    43     1.09556   110.65859   -86.97500
   46    44 S   HC   _H52    44     1.09495   111.72987   152.88874
   47    40 S   OS   _O37    60     1.43659   111.25910  -169.67355
   48    44 S   CT   _C22    45     1.54946   104.32990    32.72997
   49    48 S   HC   _H61    46     1.08589   109.14401   121.52639
   50    39 S   CT   _C25    47     1.58422   115.08883   174.98726
   51    48 S   OS   _O34    94     1.44202   110.82106  -121.11248
   52    50 S   CT   _C24    48     1.62629   111.58125   172.81813
   53    50 S   CT   _C29   109     1.53734   112.33781    47.68269
   54    53 S   HC   _H69   110     1.09381   111.49301    64.93770
   55    53 S   HC   _H70   111     1.09417   112.55091   -54.97107
   56    53 S   HC   _H71   112     1.09396   111.46546  -173.80229
   57    52 S   CT   _C13    49     1.57187   113.76262   -62.90631
   58    57 S   HC   _H47    50     1.08735   111.82203    57.45621
   59    57 S   HC   _H48    51     1.09576   110.87585   -61.34436
   60    52 S   CT   _C17    65     1.58013   112.89786   178.81568
   61    60 S   HC   _H55    66     1.09677   109.51929    64.96405
   62    60 S   HC   _H56    67     1.09450   109.83279  -177.81305
   63    57 S   CT   _C12    52     1.53853   114.30983   175.29585
   64    63 S   HC   _H45    53     1.09756   107.98762  -163.57960
   65    63 S   HC   _H46    54     1.09616   110.42899    80.78321
   66    60 S   OS   _O35    68     1.43369   115.76898   -57.59110
   67    63 S   CM   _C9_    55     1.50552   113.14117   -42.35344
   68    66 S   CO4  _C11    69     1.36659   114.41390  -172.74569
   69    68 S   O    _O33    70     1.22686   125.04959    -2.80393
   70    67 S   CM   _C8_    56     1.34388   121.98312    12.25326
   71    70 S   HC   _H44    57     1.08777   119.39379  -178.55911
   72    67 S   CT   _C27    61     1.50023   116.08890  -167.58792
   73    72 S   HC   _H63    62     1.09482   110.21730   -59.20572
   74    72 S   HC   _H64    63     1.09505   112.18272  -179.22317
   75    72 S   HC   _H65    64     1.09476   110.32302    60.65346
   76    68 S   CT   _C20    71     1.52289   111.68557   179.31557
   77    76 S   HC   _H59    72     1.09590   107.18847    71.89308
   78    52 S   CT   _C18    58     1.55865   107.80335    56.46553
   79    78 S   HC   _H57    59     1.09647   109.62934    77.59492
   80    76 S   CT   _C21    73     1.54388   115.53260   -51.31569
   81    80 S   HC   _H60    74     1.09772   108.27702    72.40304
   82    76 S   OH   _O38   107     1.42715   106.95162  -173.13290
   83    82 S   HO   _H78   108     0.97310   107.54904   -57.55963
   84    80 S   CT   _C14    75     1.55305   112.84748  -167.23604
   85    84 S   HC   _H49    76     1.09803   107.99157  -174.72586
   86    84 S   HC   _H50    77     1.09735   109.50483    69.46614
   87    80 S   CT   _C28   103     1.53814   111.99493   -45.73042
   88    87 S   HC   _H66   104     1.09525   111.37848   -58.01746
   89    87 S   HC   _H67   105     1.09560   110.68428  -178.08582
   90    87 S   HC   _H68   106     1.09412   111.66196    62.93161
   91    84 S   CT   _C16    78     1.52730   115.68117   -53.19965
   92    91 S   HC   _H53    79     1.09467   111.04270    56.08031
   93    91 S   HC   _H54    80     1.09524   108.87346   174.74051
   94    91 S   OS   _O36    81     1.42407   109.53347   -66.07440
   95    94 S   CT   _C19    82     1.44213   113.27482   175.56341
   96    95 S   HC   _H58    83     1.09865   109.82588   -11.63594
   97    95 S   CM   _C7_    84     1.50747   104.07887  -126.63813
   98    97 S   HC   _H43    85     1.09027   113.72504    66.57451
   99    95 S   CT   _C32    95     1.54422   108.90000   106.97268
  100    99 S   HC   _H77    96     1.09595   110.39540    59.73997
  101    97 S   CM   _C6_    86     1.34238   128.00563  -109.19089
  102   101 S   HC   _H42    87     1.08471   121.66059    -4.46028
  103    99 S   CT   _C30    97     1.52665   113.11671  -175.37890
  104   103 S   HC   _H72    98     1.09593   110.65611    59.67444
  105   103 S   HC   _H73    99     1.09181   112.95678   -62.06547
  106   103 S   HC   _H74   100     1.09582   110.24450   177.07083
  107    99 S   OH   _O40   101     1.43266   108.68215   -56.87759
  108   107 S   HO   _H80   102     0.97248   107.51139   174.83146
  109   101 S   CM   _C4_    88     1.44533   123.17118   174.01260
  110   109 S   HC   _H40    89     1.08773   114.89590   118.76031
  111   109 S   CM   _C5_    90     1.34187   126.64827   -62.36397
  112   111 S   HC   _H41    91     1.08609   119.39990   178.54761
  113   111 S   CO4  _C10    92     1.48202   123.80274    -2.96306
  114   113 S   O    _O30    93     1.21999   125.85390   -20.96650
  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  20  16   8   7   1  11   6   5  10  14
   5  18   7  20   6   2   1   1  14   7   6  10   4   3  10   4
   3   7   8   9   4   7   3   4   2   1   1  13   6   1   1  14
   9   3   1  11   6   5   4   2   1   1   7   3   2   9  14   7
  10   4   8   6   6   3   5   3   2   1   1   1   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    50    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    48    50    52    47    53    42    43  
   35    39    40    50    42  
   39    40    50    42  
   37    38  
   38  
    0  
   40    41    44    45    46    48    49    50    52    57    78    47    60    51    53    54    55    56    42    43  
   41    44    45    46    48    49    50    52    70    78    79    47    51    53    42    43  
   44    45    46    48    50    78    47    42  
   43    44    47    48    50    52    53  
   50  
   45    46    48    49    50    52    78    47   113    51    53  
   46    48    49    50    47    51  
   48    49    50    47    51  
   60    48    50    52    57    67    70    71    78    79  
   49    50    52    57    78    60   111   113   114    51    53    54    55    56  
   50    52   113    51    53  
   52    57    58    59    63    70    78    79    60    61    62    66   113    51    53    54    55    56  
   53    52   109   111   112   113   114  
   57    58    59    63    64    65    67    70    71    78    79    60    61    62    66    68    53    54    55    56  
   54    55    56    57    60    78  
   55    56  
   56  
    0  
   58    59    63    64    65    67    70    78    79    72    60    61    62    66  
   59    63    64    65    67    78    60  
   63    64    65    67    78    60  
   61    62    66    68    69    76    63    70    78    79  
   62    66    68    78  
   66    68    78  
   64    65    67    70    71    78    72    73    74    75  
   65    67    70    72  
   67    70    72  
   68    69    76    77    80    82    78  
   70    71    78    79    72    73    74    75  
   69    76    77    80    81    84    87    82    83  
   76    77    80    82  
   71    78    79    72    73    74    75  
   78    79    72  
   73    74    75    78  
   74    75  
   75  
    0  
   77    80    81    84    85    86    91    87    88    89    90    82    83  
   80    81    84    87    82    83  
   79  
    0  
   81    84    85    86    91    92    93    94    87    88    89    90    82    83  
   84    85    86    91    87    88    89    90    82  
   83    84    87  
    0  
   85    86    91    92    93    94    95    87    88    89    90  
   86    91    92    93    94    87  
   91    92    93    94    87  
   88    89    90    91  
   89    90  
   90  
    0  
   92    93    94    95    96    97    99  
   93    94    95  
   94    95  
   95    96    97    98   101    99   100   103   107  
   96    97    98   101   102   109    99   100   103   104   105   106   107   108  
   97    98   101    99   100   103   107  
   98   101   102   109   110   111    99   100   103   107  
  101   102   109    99  
  100   103   104   105   106   107   108   101  
  103   104   105   106   107   108  
  102   109   110   111   112   113  
  109   110   111  
  104   105   106   107   108  
  105   106   107  
  106   107  
  107  
  108  
    0  
  110   111   112   113   114  
  111   112   113  
  112   113   114  
  113   114  
  114  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   98   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  108   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  109   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  110   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  111   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  112   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  113   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  114   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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    50   268.000  1.529
   39    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   320.000  1.410
   50    52   268.000  1.529
   50    53   268.000  1.529
   52    57   268.000  1.529
   52    78   268.000  1.529
   52    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   317.000  1.510
   67    70   549.000  1.340
   67    72   317.000  1.510
   70    71   340.000  1.080
   70    78   317.000  1.510
   78    79   340.000  1.090
   78    47   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    76   317.000  1.522
   76    77   340.000  1.090
   76    80   268.000  1.529
   76    82   320.000  1.410
   80    81   340.000  1.090
   80    84   268.000  1.529
   80    87   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   320.000  1.410
   94    95   320.000  1.410
   95    96   340.000  1.090
   95    97   317.000  1.510
   95    99   268.000  1.529
   97    98   340.000  1.080
   97   101   549.000  1.340
  101   102   340.000  1.080
  101   109   380.000  1.444
  109   110   340.000  1.080
  109   111   549.000  1.340
  111   112   340.000  1.080
  111   113   320.000  1.462
  113   114   570.000  1.229
  113    51   214.000  1.327
   99   100   340.000  1.090
   99   103   268.000  1.529
   99   107   320.000  1.410
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   553.000  0.945
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   82    83   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   42    43   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    50    58.35000  112.70000
   33    39    42    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    44    58.35000  112.70000
   39    40    47    50.00000  109.50000
   39    50    48    58.35000  112.70000
   39    50    52    58.35000  112.70000
   39    50    53    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    47    78    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    58.35000  112.70000
   44    48    51    50.00000  109.50000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    50    52    58.35000  112.70000
   48    50    53    58.35000  112.70000
   48    51   113    83.00000  116.90000
   50    39    40    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    57    58.35000  112.70000
   50    52    78    58.35000  112.70000
   50    52    60    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    63    58.35000  112.70000
   52    78    70    70.00000  112.02700
   52    78    79    37.50000  110.70000
   52    78    47    50.00000  109.50000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    66    50.00000  109.50000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    67    70.00000  112.02700
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    67    70    70.00000  124.00000
   63    67    72    65.00000  117.92700
   65    63    64    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   67    70    71    35.00000  120.00000
   67    70    78    70.00000  124.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   70    78    79    35.00000  109.50000
   70    78    47    85.00000  110.90400
   78    52    57    58.35000  112.70000
   78    70    71    35.00000  117.00000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
   47    78    79    35.00000  109.50000
   72    67    70    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   60    52    57    58.35000  112.70000
   60    52    78    58.35000  112.70000
   60    66    68    83.00000  116.90000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    76    81.00000  111.40000
   68    76    77    35.00000  109.50000
   68    76    80    63.00000  111.10000
   68    76    82    90.00000  109.61100
   76    68    69    80.00000  120.40000
   76    80    81    37.50000  110.70000
   76    80    84    58.35000  112.70000
   76    80    87    58.35000  112.70000
   76    82    83    55.00000  108.50000
   80    76    77    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    91    58.35000  112.70000
   80    87    88    37.50000  110.70000
   80    87    89    37.50000  110.70000
   80    87    90    37.50000  110.70000
   84    80    81    37.50000  110.70000
   84    91    92    37.50000  110.70000
   84    91    93    37.50000  110.70000
   84    91    94    50.00000  109.50000
   86    84    85    33.00000  107.80000
   91    84    85    37.50000  110.70000
   91    84    86    37.50000  110.70000
   91    94    95    60.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    93    35.00000  109.50000
   94    95    96    35.00000  109.50000
   94    95    97    85.00000  110.90400
   94    95    99    50.00000  109.50000
   95    97    98    35.00000  117.00000
   95    97   101    70.00000  124.00000
   95    99   100    37.50000  110.70000
   95    99   103    58.35000  112.70000
   95    99   107    50.00000  109.50000
   97    95    96    35.00000  109.50000
   97   101   102    35.00000  120.00000
   97   101   109    70.00000  123.01800
  101    97    98    35.00000  120.00000
  101   109   110    35.00000  120.00000
  101   109   111    70.00000  123.01800
  109   101   102    35.00000  120.00000
  109   111   112    35.00000  120.00000
  109   111   113    65.00000  118.96000
  111   109   110    35.00000  120.00000
  111   113   114    80.00000  123.72100
  111   113    51    90.00000  111.29400
  113   111   112    40.00000  117.72500
   51    48    49    35.00000  109.50000
   51    48    50    50.00000  109.50000
   51   113   114    83.00000  123.40000
   99    95    96    37.50000  110.70000
   99    95    97    70.00000  112.02700
   99   103   104    37.50000  110.70000
   99   103   105    37.50000  110.70000
   99   103   106    37.50000  110.70000
   99   107   108    55.00000  108.50000
  103    99   100    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107    99   100    35.00000  109.50000
  107    99   103    50.00000  109.50000
   87    80    81    37.50000  110.70000
   87    80    84    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    80    50.00000  109.50000
   53    50    52    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
   42    39    40    50.00000  109.50000
   42    39    50    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
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   81    80    84    91   0.15000  1.0 3.0
   81    80    87    88   0.15000  1.0 3.0
   81    80    87    89   0.15000  1.0 3.0
   81    80    87    90   0.15000  1.0 3.0
   84    80    87    88   0.15000  1.0 3.0
   84    80    87    89   0.15000  1.0 3.0
   84    80    87    90   0.15000  1.0 3.0
   84    91    94    95   0.06250  1.0 1.0
   84    91    94    95  -0.01100 -1.0 2.0
   84    91    94    95   0.28050  1.0 3.0
   85    84    91    92   0.15000  1.0 3.0
   85    84    91    93   0.15000  1.0 3.0
   85    84    91    94   0.23400  1.0 3.0
   86    84    91    92   0.15000  1.0 3.0
   86    84    91    93   0.15000  1.0 3.0
   86    84    91    94   0.23400  1.0 3.0
   91    94    95    96   0.37050  1.0 3.0
   91    94    95    97  -0.77900  1.0 1.0
   91    94    95    97  -0.36900 -1.0 2.0
   91    94    95    97   0.40400  1.0 3.0
   91    94    95    99   0.06250  1.0 1.0
   91    94    95    99  -0.01100 -1.0 2.0
   91    94    95    99   0.28050  1.0 3.0
   92    91    94    95   0.37050  1.0 3.0
   93    91    94    95   0.37050  1.0 3.0
   94    95    97    98   0.00000  1.0 1.0
   94    95    97   101   0.39000  1.0 1.0
   94    95    97   101  -0.05800 -1.0 2.0
   94    95    97   101  -0.55150  1.0 3.0
   94    95    99   100   0.23400  1.0 3.0
   94    95    99   103   0.62750  1.0 1.0
   94    95    99   103  -0.30950 -1.0 2.0
   94    95    99   103   0.27300  1.0 3.0
   94    95    99   107   3.69350  1.0 1.0
   94    95    99   107  -1.82950 -1.0 2.0
   95    97   101   102   7.00000 -1.0 2.0
   95    97   101   109   7.00000 -1.0 2.0
   95    99   103   104   0.15000  1.0 3.0
   95    99   103   105   0.15000  1.0 3.0
   95    99   103   106   0.15000  1.0 3.0
   95    99   107   108  -0.11600  1.0 1.0
   95    99   107   108  -0.09450 -1.0 2.0
   95    99   107   108   0.21250  1.0 3.0
   96    95    97    98   0.33100  1.0 3.0
   96    95    97   101   0.00000  1.0 1.0
   96    95    99   100   0.15000  1.0 3.0
   96    95    99   103   0.15000  1.0 3.0
   96    95    99   107   0.23400  1.0 3.0
   97    95    99   100   0.15000  1.0 3.0
   97    95    99   103   0.34400  1.0 1.0
   97    95    99   103   0.09450 -1.0 2.0
   97    95    99   103   0.11100  1.0 3.0
   97    95    99   107   1.05650  1.0 1.0
   97    95    99   107   0.15600 -1.0 2.0
   97    95    99   107   0.53150  1.0 3.0
   97   101   109   110  -0.18600  1.0 3.0
   97   101   109   111   0.28850  1.0 1.0
   97   101   109   111   2.61350 -1.0 2.0
   97   101   109   111   0.78400  1.0 3.0
   98    97   101   102   7.00000 -1.0 2.0
   98    97   101   109   7.00000 -1.0 2.0
  101   109   111   112   7.00000 -1.0 2.0
  101   109   111   113   7.00000 -1.0 2.0
  102   101   109   110   0.00000  1.0 1.0
  102   101   109   111  -0.18600  1.0 3.0
  109   111   113   114   1.00000 -1.0 2.0
  109   111   113    51  -0.56150  1.0 1.0
  109   111   113    51   2.19150 -1.0 2.0
  110   109   111   112   7.00000 -1.0 2.0
  110   109   111   113   7.00000 -1.0 2.0
  111   113    51    48   2.00000 -1.0 2.0
  112   111   113   114   0.00000  1.0 1.0
  112   111   113    51   1.63100 -1.0 2.0
  114   113    51    48   3.00000 -1.0 2.0
   51    48    50    39   0.62750  1.0 1.0
   51    48    50    39  -0.30950 -1.0 2.0
   51    48    50    39   0.27300  1.0 3.0
   51    48    50    52   0.62750  1.0 1.0
   51    48    50    52  -0.30950 -1.0 2.0
   51    48    50    52   0.27300  1.0 3.0
   51    48    50    53   0.62750  1.0 1.0
   51    48    50    53  -0.30950 -1.0 2.0
   51    48    50    53   0.27300  1.0 3.0
   99    95    97    98   0.00000  1.0 1.0
   99    95    97   101   0.09850  1.0 1.0
   99    95    97   101   0.15250 -1.0 2.0
   99    95    97   101  -0.50650  1.0 3.0
  100    99   103   104   0.15000  1.0 3.0
  100    99   103   105   0.15000  1.0 3.0
  100    99   103   106   0.15000  1.0 3.0
  100    99   107   108   0.19450  1.0 3.0
  103    99   107   108  -0.11600  1.0 1.0
  103    99   107   108  -0.09450 -1.0 2.0
  103    99   107   108   0.21250  1.0 3.0
  107    99   103   104   0.23400  1.0 3.0
  107    99   103   105   0.23400  1.0 3.0
  107    99   103   106   0.23400  1.0 3.0
   87    80    84    85   0.15000  1.0 3.0
   87    80    84    86   0.15000  1.0 3.0
   87    80    84    91   0.56750  1.0 1.0
   87    80    84    91  -0.07550 -1.0 2.0
   87    80    84    91   0.20000  1.0 3.0
   82    76    80    81   0.23400  1.0 3.0
   82    76    80    84   0.86500  1.0 1.0
   82    76    80    84  -0.17500 -1.0 2.0
   82    76    80    84   0.20800  1.0 3.0
   82    76    80    87   0.86500  1.0 1.0
   82    76    80    87  -0.17500 -1.0 2.0
   82    76    80    87   0.20800  1.0 3.0
   53    50    52    57   0.56750  1.0 1.0
   53    50    52    57  -0.07550 -1.0 2.0
   53    50    52    57   0.20000  1.0 3.0
   53    50    52    78   0.56750  1.0 1.0
   53    50    52    78  -0.07550 -1.0 2.0
   53    50    52    78   0.20000  1.0 3.0
   53    50    52    60   0.56750  1.0 1.0
   53    50    52    60  -0.07550 -1.0 2.0
   53    50    52    60   0.20000  1.0 3.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    47   3.69350  1.0 1.0
   42    39    40    47  -1.82950 -1.0 2.0
   42    39    50    48   0.86500  1.0 1.0
   42    39    50    48  -0.17500 -1.0 2.0
   42    39    50    48   0.20800  1.0 3.0
   42    39    50    52   0.86500  1.0 1.0
   42    39    50    52  -0.17500 -1.0 2.0
   42    39    50    52   0.20800  1.0 3.0
   42    39    50    53   0.86500  1.0 1.0
   42    39    50    53  -0.17500 -1.0 2.0
   42    39    50    53   0.20800  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
   38    30    36    37  10.50000 -1.0 2.0
   63    72    67    70   1.10000 -1.0 2.0
   78    71    70    67   1.10000 -1.0 2.0
   66    76    68    69  10.50000 -1.0 2.0
   95    98    97   101   1.10000 -1.0 2.0
  109   102   101    97   1.10000 -1.0 2.0
  101   110   109   111   1.10000 -1.0 2.0
  113   112   111   109   1.10000 -1.0 2.0
  111    51   113   114  10.50000 -1.0 2.0
END
