* LIGAND DATABASE FILE (OPLS2005)
*
001     104   109    206    337     606
    1     0 S   NP   _N1_     1    29.01055    95.70282   -19.02342
    2     1 S   H    _HN1     2     1.02964    95.89371    38.43426
    3     1 S   H    _H1_     3     1.02831    42.02934   147.36994
    4     1 S   H    _H2_     4     1.02770    73.64058   -69.00948
    5     1 S   CT   _CA1     5     1.50166   148.36840  -175.10039
    6     5 S   HC   _HA1     6     1.09570   105.21532    33.30250
    7     5 S   CO3  _C1_     7     1.53868   112.32085   -86.84121
    8     7 S   O2Z  _O11     8     1.26367   115.00603   -41.26595
    9     7 S   O2Z  _O12     9     1.26253   114.95541   137.64977
   10     5 S   CT   _CB1    10     1.53077   107.37660   151.25039
   11    10 S   HC   HB11    11     1.09814   109.44210   -49.16872
   12    10 S   HC   HB12    12     1.09822   110.33101    67.36911
   13    10 S   CT   _CG1    13     1.53006   112.70240  -170.30324
   14    13 S   HC   HG11    14     1.09529   110.34344   -59.32674
   15    13 S   HC   HG12    15     1.09624   110.20537    59.60297
   16    13 S   C    _CD1    16     1.51887   111.97286   179.42020
   17    16 S   O    _OE1    17     1.22764   123.01591   -20.04531
   18    16 S   N    _N2_    18     1.38527   111.85176   161.39657
   19    18 S   H    _HN2    19     1.01576   118.99862    -0.32143
   20    18 S   CT1  _CA2    20     1.46259   123.65015  -179.12979
   21    20 S   HC   _HA2    21     1.09732   109.36776   -14.24617
   22    20 S   C    _C2_    22     1.53482   108.22670  -129.76086
   23    22 S   O    _O2_    23     1.23003   122.36736  -147.32347
   24    20 S   CT   _CB2    32     1.53455   111.18146   107.99303
   25    24 S   HC   HB21    33     1.09567   109.50876    51.34728
   26    24 S   HC   HB22    34     1.09465   110.62908   170.45723
   27    22 S   N    _N3_    24     1.38565   113.35892    40.28044
   28    27 S   H    _HN3    25     1.01522   118.85502    -0.69774
   29    24 S   S    _SG2    35     1.83061   111.55930   -70.01846
   30    27 S   CT   _CA3    26     1.45436   123.44263   175.18265
   31    30 S   HC   HA31    27     1.09525   109.21526    24.76069
   32    30 S   HC   HA32    28     1.09496   107.11866   141.74241
   33    29 S   CT   _C27    36     1.86051    99.94840   158.01577
   34    33 S   HC   _H6_    37     1.08986   105.62031   -46.20128
   35    30 S   CO3  _C3_    29     1.52919   113.16749   -98.71972
   36    35 S   O2Z  _O31    30     1.26402   115.43752   -44.24547
   37    35 S   O2Z  _O32    31     1.26363   114.97797   136.75635
   38    33 S   CM   _C28    38     1.51946   106.30519    69.77610
   39    38 S   HC   _H31    39     1.08995   115.63822    62.17914
   40    33 S   CT   _C9_    47     1.59409   113.05909  -163.27830
   41    38 S   CMA  _C29    40     1.35587   126.86424  -117.77665
   42    41 S   OM   _O41    41     1.26776   125.89601     0.59709
   43    40 S   CT   _C8_    48     1.57806   110.60213  -177.59442
   44    43 S   HC   _H3_    49     1.09182   102.67295   -33.81797
   45    40 S   CT   _C26   101     1.55491   108.80156   -55.48308
   46    45 S   HC   _H28   102     1.09435   112.15886    67.69649
   47    45 S   HC   _H29   103     1.09428   111.83562   -52.48854
   48    45 S   HC   _H30   104     1.08893   113.38950  -171.99261
   49    41 S   OS   _O42    42     1.42166   109.48432  -180.00000
   50    43 S   CT   _C7_    50     1.53509   120.93325    83.61449
   51    50 S   HC   _H12    51     1.09503   111.58314    45.37677
   52    50 S   HC   _H13    52     1.09336   109.81687   -71.64438
   53    43 S   CT   _C14    73     1.55390   108.33230  -146.20569
   54    49 S   CT   _C30    43     1.42691   114.49404   150.49158
   55    54 S   HC   _H32    44     1.09404   107.76985  -173.00824
   56    54 S   HC   _H33    45     1.09484   111.02242    69.06074
   57    54 S   HC   _H34    46     1.09549   111.07435   -54.89411
   58    50 S   CT   _C6_    53     1.54620   113.43200   167.67269
   59    58 S   HC   _H10    54     1.09688   107.89168   145.08926
   60    58 S   HC   _H11    55     1.09754   108.22913  -101.29933
   61    53 S   CO   _C13    74     1.54265   100.01080    41.24577
   62    53 S   CT   _C23    92     1.55790   113.52709   -75.66335
   63    62 S   HC   _H17    93     1.09566   111.97310  -175.07053
   64    62 S   HC   _H18    94     1.09010   113.01006    67.43434
   65    62 S   HC   _H19    95     1.09227   112.57998   -55.13557
   66    58 S   CT   _C5_    56     1.55088   115.26282    20.66211
   67    40 S   CT   _C10    75     1.59974   112.96405    70.04857
   68    61 S   OH   _O39    90     1.42069   113.06758  -161.49249
   69    68 S   HO   _H20    91     0.97072   108.21937   -38.62364
   70    66 S   CT   _C18    57     1.57299   111.92639  -171.83069
   71    70 S   HC   _H5_    58     1.09903   110.14255    62.94319
   72    67 S   CO4  _C11    76     1.51765   119.08162     9.62063
   73    72 S   O    _O33    77     1.22569   124.17872   -85.43970
   74    67 S   OH   _O40    88     1.41694   111.92292  -117.36026
   75    74 S   HO   _H27    89     0.97348   107.38624    71.78962
   76    66 S   CT   _C4_    97     1.55643   109.97407    68.14668
   77    76 S   HC   _H7_    98     1.09447   112.30483   172.36802
   78    76 S   HC   _H8_    99     1.09537   110.91358    52.22074
   79    76 S   HC   _H9_   100     1.08750   114.54489   -67.86379
   80    70 S   C5BC _C19    59     1.50407   115.05728   -56.48273
   81    70 S   OS   _O37    67     1.46506   110.26182   179.41116
   82    72 S   CT   _C12    78     1.51057   112.45953    98.70083
   83    80 S   C5BC _C20    60     1.42529   128.09183   -88.67895
   84    83 S   HA   _H14    61     1.08097   127.39362     0.88735
   85    81 S   CO4  _C17    68     1.36956   122.66838   -40.33587
   86    85 S   O    _O36    69     1.22437   122.41013  -179.75292
   87    61 S   OS   _O34    79     1.44057   110.12475    74.05466
   88    82 S   CT   _C24    80     1.52565   111.00575   113.27665
   89    88 S   HC   _H21    81     1.09547   110.77643  -164.93967
   90    88 S   HC   _H22    82     1.09523   111.17638    74.11313
   91    88 S   HC   _H23    83     1.09465   112.09211   -45.69780
   92    82 S   CT   _C25    84     1.52030   113.15244  -121.22148
   93    92 S   HC   _H24    85     1.09600   110.65389  -179.02442
   94    92 S   HC   _H25    86     1.09339   111.64602    63.28504
   95    92 S   HC   _H26    87     1.09492   111.66193   -58.04576
   96    83 S   C5A  _C21    62     1.37444   106.65811  -179.24879
   97    96 S   HA   _H15    63     1.08024   133.81829  -179.75691
   98    85 S   C3T  _C16    70     1.48235   117.06231     0.29074
   99    98 S   HC   _H4_    71     1.08141   115.58946   173.11536
  100    96 S   OA   _O38    64     1.35655   110.47935     0.52934
  101    66 S   C3T  _C15    72     1.55010   108.76752   -53.99068
  102    80 S   C5A  _C22    65     1.38208   126.90085    93.20643
  103   102 S   HA   _H16    66     1.08071   133.42324    -0.91000
  104    98 S   O3T  _O35    96     1.41461   111.43527   -48.46963
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  19   7   2   1   1   9   4  23   6   2  26  10   9   3   2   1
   4  13   6   5  21   3   2   1   1  14   5   4  19  10   3   2
   1  15  11   6   1  18   7  13   5   3   1   8   3   2   1  10
   8   9   6   4   5   4   9   7   3   2   1   3   2   1   1   4
   2   3   2   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    67    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    40    43    44    50    53    61    67    72    74    45    46    47    48  
   38    39    41    40    43    67    45  
   36    37  
   37  
    0  
   39    41    42    49    54    40    43    67    45  
   41    42    49    40  
   43    44    50    51    52    58   101    53    61    67    72    73    82    87    74    75    68    62    45    46    47    48    41  
   42    49    54    55    56    57  
   49    54  
   44    50    51    52    58    59    60    66    98   101    53    61    67    72    87    74    68    62    63    64    65   104    45    46    47    48  
   50    51    52    58   101    53    61    67    62    45  
   46    47    48    50    53    61    67    72    74  
   47    48    67  
   48    67  
   67  
   54    55    56    57  
   51    52    58    59    60    66    70   101    53    61    67    62    76  
   52    58    59    60    66    53  
   58    59    60    66    53  
   61    67    72    82    87    74    68    69    62    63    64    65   104    76    58    66    70    85    98    99   101  
   55    56    57  
   56    57  
   57  
    0  
   59    60    66    70    71    80    81    98   101   104    76    77    78    79  
   60    66    70   101    76  
   66    70   101    76  
   67    72    73    82    87    88    92    74    75    68    69    62    63    64    65   104    66    98   101  
   63    64    65   104    66    67    68    87    98   101  
   64    65   101  
   65   101  
  101  
   70    71    80    83   102    81    85    98    99   101   104    76    77    78    79  
   72    73    82    87    88    92    74    75    68    69   101  
   69    72    74    82    87   101  
   87  
   71    80    83    84    96   100   102   103    81    85    86    98   101   104    76    77    78    79  
   80    83   102    81    85   101    76  
   73    82    87    88    89    90    91    92    93    94    95    74    75  
   82    87    88    92    74  
   75    82    87  
    0  
   77    78    79    80    81    98   101   104  
   78    79   101  
   79   101  
  101  
   83    84    96    97   100   102   103    81    85   101  
   85    86    98    99   101   104    83   102  
   87    88    89    90    91    92    93    94    95  
   84    96    97   100   102   103  
   96    97   100   102  
   86    98    99   101   104  
   98    99   101   104  
   88    89    90    91    92    93    94    95   101  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95  
   94    95  
   95  
    0  
   97   100   102   103  
  100   102  
   99   101   104  
  101   104  
  102   103  
  104  
  103  
    0  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.1200   0.1700  -0.582700   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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   98   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
  101   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
  102   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  103   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  104   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    49   440.000  1.360
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   40    43   268.000  1.529
   40    67   268.000  1.529
   40    45   268.000  1.529
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    70   268.000  1.529
   66   101   275.000  1.510
   66    76   268.000  1.529
   70    71   340.000  1.090
   70    80   285.000  1.502
   70    81   320.000  1.410
   80    83   469.000  1.424
   80   102   546.000  1.367
   83    84   367.000  1.080
   83    96   546.000  1.367
   96    97   367.000  1.080
   96   100   340.000  1.360
  100   102   340.000  1.360
  102   103   367.000  1.080
   81    85   214.000  1.327
   85    86   570.000  1.229
   85    98   290.000  1.496
   98    99   340.000  1.088
   98   101   260.000  1.509
   98   104   335.000  1.432
  101    53   275.000  1.510
  101   104   335.000  1.432
   53    61   250.000  1.527
   53    62   268.000  1.529
   61    67   250.000  1.527
   61    87   320.000  1.380
   61    68   380.000  1.407
   67    72   317.000  1.522
   67    74   320.000  1.410
   72    73   570.000  1.229
   72    82   317.000  1.522
   82    87   320.000  1.410
   82    88   268.000  1.529
   82    92   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   74    75   553.000  0.945
   68    69   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    58.35000  112.70000
   33    40    67    58.35000  112.70000
   33    40    45    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    49    80.00000  120.01400
   41    38    39    40.00000  120.50800
   41    49    54    90.00000  111.18400
   49    41    42    65.00000  121.00000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    44    37.50000  110.70000
   40    43    50    58.35000  112.70000
   40    43    53    58.35000  112.70000
   40    67    61    75.00000  109.43000
   40    67    72    63.00000  111.10000
   40    67    74    50.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    58    58.35000  112.70000
   43    53   101    70.00000  112.37300
   43    53    61    75.00000  109.43000
   43    53    62    58.35000  112.70000
   50    43    44    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    66    58.35000  112.70000
   52    50    51    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    52    37.50000  110.70000
   58    66    70    58.35000  112.70000
   58    66   101    70.00000  112.37300
   58    66    76    58.35000  112.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    80    70.00000  112.17500
   66    70    81    50.00000  109.50000
   66   101    98    60.00000  120.94000
   66   101    53    58.35000  112.70000
   66   101   104    80.00000  116.47100
   66    76    77    37.50000  110.70000
   66    76    78    37.50000  110.70000
   66    76    79    37.50000  110.70000
   70    80    83    60.00000  130.00000
   70    80   102    60.00000  130.00000
   70    81    85    83.00000  116.90000
   80    70    71    35.00000  109.50000
   80    83    84    35.00000  127.50000
   80    83    96    70.00000  107.30000
   80   102   100    70.00000  110.60000
   80   102   103    35.00000  132.10000
   83    96    97    35.00000  132.10000
   83    96   100    70.00000  110.60000
   96    83    84    35.00000  125.70000
   96   100   102    70.00000  106.50000
  100    96    97    35.00000  113.40000
  100   102   103    35.00000  113.40000
  102    80    83    70.00000  107.30000
   81    70    71    35.00000  109.50000
   81    70    80    85.00000  111.85700
   81    85    86    83.00000  123.40000
   81    85    98    81.00000  111.40000
   85    98    99    40.00000  116.18000
   85    98   101    65.00000  117.18000
   85    98   104    80.00000  114.91000
   98    85    86    75.00000  121.36600
   98   101    53    60.00000  120.94000
   98   101   104    15.00000   60.43100
   98   104   101    15.00000   59.14900
  101    66    70    70.00000  112.37300
  101    98    99    37.50000  117.20000
  101    53    61    70.00000  112.37300
  101    53    62    70.00000  112.37300
   53    43    44    37.50000  110.70000
   53    43    50    58.35000  112.70000
   53    61    67    65.00000  112.71400
   53    61    87    90.00000  108.56700
   53    61    68    90.00000  110.19100
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    65    37.50000  110.70000
   61    67    72    63.00000  111.10000
   61    67    74    90.00000  111.58700
   61    87    82    60.00000  109.50000
   61    68    69    70.00000  107.92000
   67    40    43    58.35000  112.70000
   67    72    73    80.00000  120.40000
   67    72    82    70.00000  116.00000
   67    74    75    55.00000  108.50000
   72    82    87    90.00000  108.74100
   72    82    88    63.00000  111.10000
   72    82    92    63.00000  111.10000
   82    72    73    80.00000  120.40000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   82    88    91    37.50000  110.70000
   82    92    93    37.50000  110.70000
   82    92    94    37.50000  110.70000
   82    92    95    37.50000  110.70000
   87    61    67    90.00000  108.56700
   88    82    87    50.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    82    87    50.00000  109.50000
   92    82    88    58.35000  112.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   74    67    72    90.00000  109.61100
   68    61    67    90.00000  110.19100
   68    61    87   110.00000  112.08000
   62    53    61    75.00000  109.43000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
  104    98    99    50.00000  114.27700
  104    98   101    15.00000   60.43100
  104   101    53    80.00000  116.47100
   76    66    70    58.35000  112.70000
   76    66   101    70.00000  112.37300
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   45    40    43    58.35000  112.70000
   45    40    67    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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
   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
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   72    82    88    91  -0.11250  1.0 3.0
   72    82    92    93  -0.11250  1.0 3.0
   72    82    92    94  -0.11250  1.0 3.0
   72    82    92    95  -0.11250  1.0 3.0
   73    72    82    87   0.30150 -1.0 2.0
   73    72    82    88   0.30150 -1.0 2.0
   73    72    82    92   0.30150 -1.0 2.0
   87    61    67    40   0.62750  1.0 1.0
   87    61    67    40  -0.30950 -1.0 2.0
   87    61    67    40   0.27300  1.0 3.0
   87    61   -67    72  -0.09450  1.0 1.0
   87    61   -67    72  -1.12950 -1.0 2.0
   87    61   -67    72   0.54000  1.0 3.0
   87    61    67    74   3.69350  1.0 1.0
   87    61    67    74  -1.82950 -1.0 2.0
   87    61    68    69  -0.50000  1.0 1.0
   87    61    68    69  -0.73950 -1.0 2.0
   87    61    68    69   0.17150  1.0 3.0
   87    82    88    89   0.23400  1.0 3.0
   87    82    88    90   0.23400  1.0 3.0
   87    82    88    91   0.23400  1.0 3.0
   87    82    92    93   0.23400  1.0 3.0
   87    82    92    94   0.23400  1.0 3.0
   87    82    92    95   0.23400  1.0 3.0
   88    82    87    61   0.06250  1.0 1.0
   88    82    87    61  -0.01100 -1.0 2.0
   88    82    87    61   0.28050  1.0 3.0
   88    82    92    93   0.15000  1.0 3.0
   88    82    92    94   0.15000  1.0 3.0
   88    82    92    95   0.15000  1.0 3.0
   92    82    87    61   0.06250  1.0 1.0
   92    82    87    61  -0.01100 -1.0 2.0
   92    82    87    61   0.28050  1.0 3.0
   92    82    88    89   0.15000  1.0 3.0
   92    82    88    90   0.15000  1.0 3.0
   92    82    88    91   0.15000  1.0 3.0
   74    67    72    73   0.30150 -1.0 2.0
   74    67    72    82   0.55300  1.0 1.0
   74    67    72    82   1.25850 -1.0 2.0
   74    67    72    82  -0.23600  1.0 3.0
   68    61    67    40   0.86500  1.0 1.0
   68    61    67    40  -0.17500 -1.0 2.0
   68    61    67    40   0.20800  1.0 3.0
   68    61    67    72  -0.09450  1.0 1.0
   68    61    67    72  -1.12950 -1.0 2.0
   68    61    67    72   0.54000  1.0 3.0
   68    61    67    74   3.75450  1.0 1.0
   68    61    87    82  -0.70900  1.0 1.0
   68    61    87    82  -1.18000 -1.0 2.0
   68    61    87    82   0.91650  1.0 3.0
   62    53    61    67   0.56750  1.0 1.0
   62    53    61    67  -0.07550 -1.0 2.0
   62    53    61    67   0.20000  1.0 3.0
   62    53    61    87   0.62750  1.0 1.0
   62    53    61    87  -0.30950 -1.0 2.0
   62    53    61    87   0.27300  1.0 3.0
   62    53    61    68   0.86500  1.0 1.0
   62    53    61    68  -0.17500 -1.0 2.0
   62    53    61    68   0.20800  1.0 3.0
  104    98  -101    66   0.02550  1.0 1.0
  104    98  -101    66  -0.02600 -1.0 2.0
  104    98  -101    66   1.20400  1.0 3.0
  104    98  -101    53   0.02550  1.0 1.0
  104    98  -101    53  -0.02600 -1.0 2.0
  104    98  -101    53   1.20400  1.0 3.0
  104   101    53    43   0.02550  1.0 1.0
  104   101    53    43  -0.02600 -1.0 2.0
  104   101    53    43   1.20400  1.0 3.0
  104   101    53    61   0.02550  1.0 1.0
  104   101    53    61  -0.02600 -1.0 2.0
  104   101    53    61   1.20400  1.0 3.0
  104   101    53    62   0.02550  1.0 1.0
  104   101    53    62  -0.02600 -1.0 2.0
  104   101    53    62   1.20400  1.0 3.0
   76    66    70    71   0.15000  1.0 3.0
   76    66    70    80  -0.03700  1.0 1.0
   76    66    70    80   0.37200 -1.0 2.0
   76    66    70    80  -0.47300  1.0 3.0
   76    66    70    81   0.62750  1.0 1.0
   76    66    70    81  -0.30950 -1.0 2.0
   76    66    70    81   0.27300  1.0 3.0
   76    66   101    98   0.07850  1.0 1.0
   76    66   101    98  -0.03950 -1.0 2.0
   76    66   101    98   0.67350  1.0 3.0
   76    66   101    53   0.56750  1.0 1.0
   76    66   101    53  -0.07550 -1.0 2.0
   76    66   101    53   0.20000  1.0 3.0
   76    66   101   104   0.02550  1.0 1.0
   76    66   101   104  -0.02600 -1.0 2.0
   76    66   101   104   1.20400  1.0 3.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    50   0.56750  1.0 1.0
   45    40    43    50  -0.07550 -1.0 2.0
   45    40    43    50   0.20000  1.0 3.0
   45    40    43    53   0.56750  1.0 1.0
   45    40    43    53  -0.07550 -1.0 2.0
   45    40    43    53   0.20000  1.0 3.0
   45    40    67    61   3.97050  1.0 1.0
   45    40    67    72  -0.95700  1.0 1.0
   45    40    67    72  -0.18200 -1.0 2.0
   45    40    67    72   0.29450  1.0 3.0
   45    40    67    74   0.86500  1.0 1.0
   45    40    67    74  -0.17500 -1.0 2.0
   45    40    67    74   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   42    49    41    38  15.00000 -1.0 2.0
   83   102    80    70   4.00000 -1.0 2.0
   96    84    83    80   1.10000 -1.0 2.0
  100    97    96    83   1.10000 -1.0 2.0
  100   103   102    80   1.10000 -1.0 2.0
   81    98    85    86  10.50000 -1.0 2.0
   67    82    72    73  10.50000 -1.0 2.0
END
