* LIGAND DATABASE FILE (OPLS2005)
*
001     113   117    224    360     669
    1     0 S   NP   _N1_     1    28.53855    94.15712   -22.11149
    2     1 S   H    _HN1     2     1.02953    88.28447    25.57877
    3     1 S   H    _H1_     3     1.02829    29.10424   156.70381
    4     1 S   H    _H2_     4     1.02780    93.96013   -82.70624
    5     1 S   CT   _CA1     5     1.50120   139.48188   145.65350
    6     5 S   HC   _HA1     6     1.09569   105.22916    64.92123
    7     5 S   CO3  _C1_     7     1.53819   112.38395   -55.34273
    8     7 S   O2Z  _O11     8     1.26370   115.00075   -42.99446
    9     7 S   O2Z  _O12     9     1.26240   114.98789   136.21089
   10     5 S   CT   _CB1    10     1.53106   107.41555  -177.06815
   11    10 S   HC   HB11    11     1.09822   109.46007   -49.41467
   12    10 S   HC   HB12    12     1.09817   110.41202    67.23210
   13    10 S   CT   _CG1    13     1.52945   112.56269  -170.42924
   14    13 S   HC   HG11    14     1.09501   110.48326   -62.71688
   15    13 S   HC   HG12    15     1.09660   109.95030    56.42427
   16    13 S   C    _CD1    16     1.51777   112.41885   176.78752
   17    16 S   O    _OE1    17     1.22712   123.33871    -2.54399
   18    16 S   N    _N2_    18     1.38630   111.53103   177.78089
   19    18 S   H    _HN2    19     1.01592   118.92994     1.26579
   20    18 S   CT1  _CA2    20     1.46178   123.46096   178.57412
   21    20 S   HC   _HA2    21     1.09751   109.44460    -4.62114
   22    20 S   C    _C2_    22     1.53481   108.38986  -120.01070
   23    22 S   O    _O2_    23     1.23043   122.36621  -147.49141
   24    20 S   CT   _CB2    32     1.53590   111.55391   117.50265
   25    24 S   HC   HB21    33     1.09437   109.23415    54.09346
   26    24 S   HC   HB22    34     1.09006   109.40687   172.39873
   27    22 S   N    _N3_    24     1.38359   113.54086    39.99222
   28    27 S   H    _HN3    25     1.01626   119.52566    -3.56348
   29    24 S   S    _SG2    35     1.82941   110.77868   -66.31064
   30    27 S   CT   _CA3    26     1.45286   123.12750   176.95400
   31    30 S   HC   HA31    27     1.09552   107.52597   -63.76633
   32    30 S   HC   HA32    28     1.09559   107.94362    52.63704
   33    29 S   CT   _C8_    36     1.93587   104.76838  -168.72080
   34    30 S   CO3  _C3_    29     1.52937   114.14588   174.62028
   35    34 S   O2Z  _O31    30     1.26365   116.06568    -0.81805
   36    34 S   O2Z  _O32    31     1.26431   114.40813   179.24567
   37    33 S   CT   _C9_    37     1.59681   106.45100  -154.71119
   38    37 S   HC   _H4_    38     1.09427   108.12673  -177.33075
   39    33 S   CT   _C7_    71     1.57293   108.85604   -37.66465
   40    39 S   HC   _H3_    72     1.09307   110.12926    55.33488
   41    37 S   CT   _C25    39     1.54261   113.21048   -61.07618
   42    41 S   HC   _H33    40     1.09695   109.66693  -173.21054
   43    41 S   HC   _H34    41     1.09630   110.96987    70.27675
   44    37 S   CT   _C10    59     1.54006   110.96509    65.56903
   45    44 S   HC   _H5_    60     1.09618   106.52753   -58.94537
   46    39 S   OH   _O39    73     1.42623   110.96114   170.13791
   47    46 S   HO   _H43    74     0.97261   107.91836  -174.86806
   48    41 S   CT   _C26    42     1.52654   112.40020   -53.10668
   49    48 S   HC   _H35    43     1.09656   109.53017   -71.42579
   50    48 S   HC   _H36    44     1.09705   108.62486   173.38129
   51    44 S   CT   _C11    61     1.52758   119.48851  -176.93656
   52    51 S   HC   _H12    62     1.09566   110.35801   -45.77998
   53    51 S   HC   _H13    63     1.09476   111.92668    74.91405
   54    48 S   CM   _C27    45     1.50912   112.12660    49.96471
   55    51 S   CT   _C12    64     1.54357   103.62662  -163.90859
   56    55 S   HC   _H6_    65     1.09416   109.35309   136.23307
   57    54 S   CM   _C28    46     1.34314   120.29057   125.34794
   58    57 S   HC   _H37    47     1.08465   121.96005     0.40300
   59    55 S   CT   _C13    66     1.54235   107.19084    11.02744
   60    57 S   CO4  _C29    48     1.47781   121.56733  -179.44082
   61    60 S   O    _O38    49     1.22620   121.10563   179.76427
   62    44 S   CT   _C5_    67     1.54942   113.55314    60.45917
   63    59 S   OS   _O33    79     1.42755   104.26861   -98.93513
   64    59 S   CO4  _C17    90     1.53770   113.35605   143.30578
   65    64 S   O    _O35    91     1.23266   121.46208   -23.36509
   66    60 S   CM   _C30    50     1.47486   117.83109    -0.41918
   67    66 S   HC   _H38    51     1.08363   117.83336  -179.27180
   68    62 S   CT   _C6_    68     1.54509   107.20134   -59.72664
   69    68 S   HC   _H10    69     1.09486   109.74959   -68.24615
   70    68 S   HC   _H11    70     1.09565   109.24691   175.62055
   71    62 S   CT   _C4_    75     1.55408   113.38036    62.64078
   72    71 S   HC   _H7_    76     1.09505   112.50761    68.13510
   73    71 S   HC   _H8_    77     1.09091   113.53869   -52.07816
   74    71 S   HC   _H9_    78     1.09623   110.52466  -172.46542
   75    63 S   CO   _C14    80     1.43033   107.12173   -21.17064
   76    64 S   CT   _C18    92     1.52038   117.31661   157.97691
   77    76 S   HC   _H20    93     1.09152   109.21222    60.27815
   78    76 S   HC   _H21    94     1.09366   109.33178   -61.63212
   79    66 S   CM   _C31    52     1.33752   120.60387     0.77126
   80    79 S   HC   _H39    53     1.08831   117.59410  -179.28756
   81    55 S   OS   _O34    81     1.42505   110.55768  -104.72511
   82    75 S   CT   _C15    82     1.52305   108.84303   136.04283
   83    82 S   HC   _H14    83     1.09499   110.93886   -60.95321
   84    82 S   HC   _H15    84     1.09496   111.29390  -179.86012
   85    82 S   HC   _H16    85     1.09436   111.07773    58.14481
   86    75 S   CT   _C16    86     1.52639   109.47156  -103.31106
   87    86 S   HC   _H17    87     1.09529   110.98548    63.10755
   88    86 S   HC   _H18    88     1.09502   111.26390   -56.27114
   89    86 S   HC   _H19    89     1.09527   111.20765  -178.22668
   90    76 S   OS   _O36    95     1.42961   108.57979   179.49101
   91    33 S   CT   _C32    54     1.61169   108.14756    88.87164
   92    90 S   CO4  _C19    96     1.36246   115.39943  -175.11705
   93    92 S   O    _O37    97     1.22403   125.91583    -1.02832
   94    91 S   CT   _C33    55     1.55388   114.66062   179.53480
   95    94 S   HC   _H40    56     1.09296   113.29073   -46.08602
   96    94 S   HC   _H41    57     1.09903   110.98830  -165.83002
   97    94 S   HC   _H42    58     1.09549   112.62241    76.12856
   98    92 S   CT   _C20    98     1.51152   110.08323   178.22745
   99    98 S   HC   _H22    99     1.09813   108.32834    31.59119
  100    98 S   HC   _H23   100     1.09798   106.93806   144.61715
  101    98 S   CT   _C21   101     1.54441   114.47699   -92.48897
  102   101 S   CT   _C22   102     1.54079   108.12456  -179.91844
  103   102 S   HC   _H24   103     1.09591   111.16964    59.87726
  104   102 S   HC   _H25   104     1.09591   111.16679   -60.16870
  105   102 S   HC   _H26   105     1.09594   111.29246   179.85735
  106   101 S   CT   _C23   106     1.53787   111.24290    61.03490
  107   106 S   HC   _H27   107     1.09523   111.69849   -65.85098
  108   106 S   HC   _H28   108     1.09571   111.14476    54.76658
  109   106 S   HC   _H29   109     1.09610   111.06014   174.57798
  110   101 S   CT   _C24   110     1.53782   111.07795   -60.97695
  111   110 S   HC   _H30   111     1.09509   111.69495    65.59287
  112   110 S   HC   _H31   112     1.09571   111.14623   -54.98881
  113   110 S   HC   _H32   113     1.09611   111.06022  -174.79918
  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
  27   2   1   1  24  10  15   7  12   6   5  20   8   6   1   9
   4   3  12   6   5  12  13   6   8   4  19   6   3  13  15  10
   4   5   3   7   2   1   3   2   1   1   9   6   3   2   6   2
   8   7   3   2   1   3   2   1   1   6   4   8   4   3   2   1
   1  15   5   4  12  11   4   3   2   7   3   2   1   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    91    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    54    79    91    94    44    68    39    40    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    54    57    66    79    80    91    94    95    96    97    44    45    51    62    68    69    70    39    40    46    47  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    79    91    94    44    45    51    52    53    55    59    62    68    39    40    46    71  
   41    42    43    48    91    44    45    51    62    39  
   40    46    47    71    41    44    54    59    62    68    69    70    79    91    94  
   46    47    62    68    69    70    91  
   42    43    48    49    50    54    57    91    44    45    51    62  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    55    56    59    62    68    69    70    71    72    73    74    63    81    64    48    91  
   51    52    53    55    59    62    68    71  
   47    62    68    69    70    91  
   68  
   49    50    54    57    58    60    79    91    94  
   50    54    57    91  
   54    57    91  
   52    53    55    56    59    62    68    71    63    75    81    64  
   53    55    56    59    62    81  
   55    56    59    62    81  
   57    58    60    61    66    79    80    91    94    95    96    97  
   56    59    62    68    71    63    75    81    82    86    64    65    76  
   59    62    63    75    81    64  
   58    60    61    66    67    79    91    94  
   60    61    66    91  
   62    68    69    70    71    72    73    74    63    75    81    82    86    64    65    76    77    78    90  
   61    66    67    79    80    91  
   66    67    79  
   68    69    70    71    72    73    74    63    75    81    64    65    76  
   75    81    82    83    84    85    86    87    88    89    64    65    76    68    71  
   65    76    77    78    90    92    68    71    75    81  
   76    77    78    90  
   67    79    80    91    94  
   79    80    91  
   69    70    71    72    73    74    91  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
   81    82    83    84    85    86    87    88    89  
   77    78    90    92    93    98  
   78    90    92  
   90    92  
   80    91    94    95    96    97  
   91    94  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
   92    93    98    99   100   101  
   94    95    96    97  
   93    98    99   100   101   102   106   110  
   98    99   100   101  
   95    96    97  
   96    97  
   97  
    0  
   99   100   101   102   103   104   105   106   107   108   109   110   111   112   113  
  100   101   102   106   110  
  101   102   106   110  
  102   103   104   105   106   107   108   109   110   111   112   113  
  103   104   105   106   107   108   109   110   111   112   113  
  104   105   106   110  
  105   106   110  
  106   110  
  107   108   109   110   111   112   113  
  108   109   110  
  109   110  
  110  
  111   112   113  
  112   113  
  113  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.7500   0.1050   0.374000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   92   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   93   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   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    91   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    57   549.000  1.340
   54    91   317.000  1.510
   57    58   340.000  1.080
   57    60   320.000  1.462
   60    61   570.000  1.229
   60    66   320.000  1.462
   66    67   340.000  1.080
   66    79   549.000  1.340
   79    80   340.000  1.080
   79    91   317.000  1.510
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    62   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    81   320.000  1.410
   59    62   268.000  1.529
   59    63   320.000  1.410
   59    64   317.000  1.522
   62    68   268.000  1.529
   62    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   63    75   320.000  1.380
   75    81   320.000  1.380
   75    82   250.000  1.527
   75    86   250.000  1.527
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   64    65   570.000  1.229
   64    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    90   320.000  1.410
   90    92   214.000  1.327
   92    93   570.000  1.229
   92    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   268.000  1.529
  101   106   268.000  1.529
  101   110   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   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    91    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    91    54    70.00000  112.02700
   33    91    79    70.00000  112.02700
   33    91    94    58.35000  112.70000
   33    39    68    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   37    44    62    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    70.00000  112.02700
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    57    70.00000  124.00000
   48    54    91    65.00000  117.92700
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    57    58    35.00000  120.00000
   54    57    60    65.00000  118.96000
   54    91    79    70.00000  110.12100
   54    91    94    70.00000  112.02700
   57    60    61    80.00000  123.72100
   57    60    66    65.00000  118.65900
   60    57    58    40.00000  117.72500
   60    66    67    40.00000  117.72500
   60    66    79    65.00000  118.96000
   66    60    61    80.00000  123.72100
   66    79    80    35.00000  120.00000
   66    79    91    70.00000  124.00000
   79    66    67    35.00000  120.00000
   79    91    94    70.00000  112.02700
   91    33    37    58.35000  112.70000
   91    54    57    70.00000  124.00000
   91    79    80    35.00000  117.00000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    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
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    55    58.35000  112.70000
   44    62    59    58.35000  112.70000
   44    62    68    58.35000  112.70000
   44    62    71    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    81    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    59    62    58.35000  112.70000
   55    59    63    50.00000  109.50000
   55    59    64    63.00000  111.10000
   55    81    75    60.00000  109.50000
   59    55    56    37.50000  110.70000
   59    62    68    58.35000  112.70000
   59    62    71    58.35000  112.70000
   59    63    75    60.00000  109.50000
   59    64    65    80.00000  120.40000
   59    64    76    70.00000  116.00000
   62    44    45    37.50000  110.70000
   62    44    51    58.35000  112.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    39    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    71    74    37.50000  110.70000
   68    39    40    37.50000  110.70000
   68    39    46    50.00000  109.50000
   70    68    69    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    91    58.35000  112.70000
   39    68    69    37.50000  110.70000
   39    68    70    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   71    62    68    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   63    59    62    50.00000  109.50000
   63    75    81    92.60000  111.55000
   63    75    82    90.00000  108.56700
   63    75    86    90.00000  108.56700
   75    82    83    45.00000  108.72000
   75    82    84    45.00000  108.72000
   75    82    85    45.00000  108.72000
   75    86    87    45.00000  108.72000
   75    86    88    45.00000  108.72000
   75    86    89    45.00000  108.72000
   81    55    56    35.00000  109.50000
   81    55    59    50.00000  109.50000
   82    75    81    90.00000  108.56700
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    75    81    90.00000  108.56700
   86    75    82    65.00000  112.71400
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   64    59    62    63.00000  111.10000
   64    59    63    90.00000  108.74100
   64    76    77    35.00000  109.50000
   64    76    78    35.00000  109.50000
   64    76    90    90.00000  108.74100
   76    64    65    80.00000  120.40000
   76    90    92    83.00000  116.90000
   78    76    77    33.00000  107.80000
   90    76    77    35.00000  109.50000
   90    76    78    35.00000  109.50000
   90    92    93    83.00000  123.40000
   90    92    98    81.00000  111.40000
   92    98    99    35.00000  109.50000
   92    98   100    35.00000  109.50000
   92    98   101    63.00000  111.10000
   98    92    93    80.00000  120.40000
   98   101   102    58.35000  112.70000
   98   101   106    58.35000  112.70000
   98   101   110    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   102   103    37.50000  110.70000
  101   102   104    37.50000  110.70000
  101   102   105    37.50000  110.70000
  101   106   107    37.50000  110.70000
  101   106   108    37.50000  110.70000
  101   106   109    37.50000  110.70000
  101   110   111    37.50000  110.70000
  101   110   112    37.50000  110.70000
  101   110   113    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106   101   102    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110   101   102    58.35000  112.70000
  110   101   106    58.35000  112.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    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
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   62    44   -51    55   0.56750  1.0 1.0
   62    44   -51    55  -0.07550 -1.0 2.0
   62    44   -51    55   0.20000  1.0 3.0
   62    59    63    75   0.06250  1.0 1.0
   62    59    63    75  -0.01100 -1.0 2.0
   62    59    63    75   0.28050  1.0 3.0
   62    59    64    65   0.30150 -1.0 2.0
   62    59    64    76   0.60050  1.0 1.0
   62    59    64    76   0.05600 -1.0 2.0
   62    59    64    76   0.26150  1.0 3.0
   62    68   -39    33   0.56750  1.0 1.0
   62    68   -39    33  -0.07550 -1.0 2.0
   62    68   -39    33   0.20000  1.0 3.0
   62    68    39    40   0.15000  1.0 3.0
   62    68    39    46   0.86500  1.0 1.0
   62    68    39    46  -0.17500 -1.0 2.0
   62    68    39    46   0.20800  1.0 3.0
   68    62    71    72   0.15000  1.0 3.0
   68    62    71    73   0.15000  1.0 3.0
   68    62    71    74   0.15000  1.0 3.0
   68    39    46    47  -0.11600  1.0 1.0
   68    39    46    47  -0.09450 -1.0 2.0
   68    39    46    47   0.21250  1.0 3.0
   69    68    39    33   0.15000  1.0 3.0
   69    68    39    40   0.15000  1.0 3.0
   69    68    39    46   0.23400  1.0 3.0
   70    68    39    33   0.15000  1.0 3.0
   70    68    39    40   0.15000  1.0 3.0
   70    68    39    46   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41   0.56750  1.0 1.0
   39    33    37    41  -0.07550 -1.0 2.0
   39    33    37    41   0.20000  1.0 3.0
   39    33   -37    44   0.56750  1.0 1.0
   39    33   -37    44  -0.07550 -1.0 2.0
   39    33   -37    44   0.20000  1.0 3.0
   39    33    91    54   0.34400  1.0 1.0
   39    33    91    54   0.09450 -1.0 2.0
   39    33    91    54   0.11100  1.0 3.0
   39    33    91    79   0.34400  1.0 1.0
   39    33    91    79   0.09450 -1.0 2.0
   39    33    91    79   0.11100  1.0 3.0
   39    33    91    94   0.56750  1.0 1.0
   39    33    91    94  -0.07550 -1.0 2.0
   39    33    91    94   0.20000  1.0 3.0
   40    39    46    47   0.19450  1.0 3.0
   71    62    68    69   0.15000  1.0 3.0
   71    62    68    70   0.15000  1.0 3.0
   71    62    68    39   0.56750  1.0 1.0
   71    62    68    39  -0.07550 -1.0 2.0
   71    62    68    39   0.20000  1.0 3.0
   63    59    62    44   0.62750  1.0 1.0
   63    59    62    44  -0.30950 -1.0 2.0
   63    59    62    44   0.27300  1.0 3.0
   63    59    62    68   0.62750  1.0 1.0
   63    59    62    68  -0.30950 -1.0 2.0
   63    59    62    68   0.27300  1.0 3.0
   63    59    62    71   0.62750  1.0 1.0
   63    59    62    71  -0.30950 -1.0 2.0
   63    59    62    71   0.27300  1.0 3.0
   63    59    64    65   0.30150 -1.0 2.0
   63    59    64    76   0.55300  1.0 1.0
   63    59    64    76   1.25850 -1.0 2.0
   63    59    64    76  -0.23600  1.0 3.0
   63    75   -81    55  -0.53350  1.0 1.0
   63    75   -81    55  -0.78350 -1.0 2.0
   63    75   -81    55   0.33750  1.0 3.0
   63    75    82    83   0.23400  1.0 3.0
   63    75    82    84   0.23400  1.0 3.0
   63    75    82    85   0.23400  1.0 3.0
   63    75    86    87   0.23400  1.0 3.0
   63    75    86    88   0.23400  1.0 3.0
   63    75    86    89   0.23400  1.0 3.0
   81    55    59    62   0.62750  1.0 1.0
   81    55    59    62  -0.30950 -1.0 2.0
   81    55    59    62   0.27300  1.0 3.0
   81    55   -59    63   1.11900  1.0 1.0
   81    55   -59    63  -1.16350 -1.0 2.0
   81    55   -59    63  -0.34150  1.0 3.0
   81    55    59    64  -0.09450  1.0 1.0
   81    55    59    64  -1.12950 -1.0 2.0
   81    55    59    64   0.54000  1.0 3.0
   81    75    82    83   0.23400  1.0 3.0
   81    75    82    84   0.23400  1.0 3.0
   81    75    82    85   0.23400  1.0 3.0
   81    75    86    87   0.23400  1.0 3.0
   81    75    86    88   0.23400  1.0 3.0
   81    75    86    89   0.23400  1.0 3.0
   82    75    81    55   0.06250  1.0 1.0
   82    75    81    55  -0.01100 -1.0 2.0
   82    75    81    55   0.28050  1.0 3.0
   82    75    86    87   0.15000  1.0 3.0
   82    75    86    88   0.15000  1.0 3.0
   82    75    86    89   0.15000  1.0 3.0
   86    75    81    55   0.06250  1.0 1.0
   86    75    81    55  -0.01100 -1.0 2.0
   86    75    81    55   0.28050  1.0 3.0
   86    75    82    83   0.15000  1.0 3.0
   86    75    82    84   0.15000  1.0 3.0
   86    75    82    85   0.15000  1.0 3.0
   64    59    62    44  -0.95700  1.0 1.0
   64    59    62    44  -0.18200 -1.0 2.0
   64    59    62    44   0.29450  1.0 3.0
   64    59    62    68  -0.95700  1.0 1.0
   64    59    62    68  -0.18200 -1.0 2.0
   64    59    62    68   0.29450  1.0 3.0
   64    59    62    71  -0.95700  1.0 1.0
   64    59    62    71  -0.18200 -1.0 2.0
   64    59    62    71   0.29450  1.0 3.0
   64    59    63    75  -1.11000  1.0 1.0
   64    59    63    75   0.50250 -1.0 2.0
   64    59    63    75   0.47450  1.0 3.0
   64    76    90    92  -1.80650  1.0 1.0
   64    76    90    92   0.63900 -1.0 2.0
   64    76    90    92   0.03650  1.0 3.0
   65    64    76    77   0.00000  1.0 1.0
   65    64    76    78   0.00000  1.0 1.0
   65    64    76    90   0.30150 -1.0 2.0
   76    90    92    93   3.00000 -1.0 2.0
   76    90    92    98   1.63150  1.0 1.0
   76    90    92    98   2.92000 -1.0 2.0
   77    76    90    92   0.08050  1.0 3.0
   78    76    90    92   0.08050  1.0 3.0
   90    92    98    99   0.00000  1.0 1.0
   90    92    98   100   0.00000  1.0 1.0
   90    92    98   101   0.36750  1.0 3.0
   92    98   101   102  -0.95700  1.0 1.0
   92    98   101   102  -0.18200 -1.0 2.0
   92    98   101   102   0.29450  1.0 3.0
   92    98   101   106  -0.95700  1.0 1.0
   92    98   101   106  -0.18200 -1.0 2.0
   92    98   101   106   0.29450  1.0 3.0
   92    98   101   110  -0.95700  1.0 1.0
   92    98   101   110  -0.18200 -1.0 2.0
   92    98   101   110   0.29450  1.0 3.0
   93    92    98    99   0.00000  1.0 1.0
   93    92    98   100   0.00000  1.0 1.0
   93    92    98   101   0.30150 -1.0 2.0
   98   101   102   103   0.15000  1.0 3.0
   98   101   102   104   0.15000  1.0 3.0
   98   101   102   105   0.15000  1.0 3.0
   98   101   106   107   0.15000  1.0 3.0
   98   101   106   108   0.15000  1.0 3.0
   98   101   106   109   0.15000  1.0 3.0
   98   101   110   111   0.15000  1.0 3.0
   98   101   110   112   0.15000  1.0 3.0
   98   101   110   113   0.15000  1.0 3.0
   99    98   101   102   0.15000  1.0 3.0
   99    98   101   106   0.15000  1.0 3.0
   99    98   101   110   0.15000  1.0 3.0
  100    98   101   102   0.15000  1.0 3.0
  100    98   101   106   0.15000  1.0 3.0
  100    98   101   110   0.15000  1.0 3.0
  102   101   106   107   0.15000  1.0 3.0
  102   101   106   108   0.15000  1.0 3.0
  102   101   106   109   0.15000  1.0 3.0
  102   101   110   111   0.15000  1.0 3.0
  102   101   110   112   0.15000  1.0 3.0
  102   101   110   113   0.15000  1.0 3.0
  106   101   102   103   0.15000  1.0 3.0
  106   101   102   104   0.15000  1.0 3.0
  106   101   102   105   0.15000  1.0 3.0
  106   101   110   111   0.15000  1.0 3.0
  106   101   110   112   0.15000  1.0 3.0
  106   101   110   113   0.15000  1.0 3.0
  110   101   102   103   0.15000  1.0 3.0
  110   101   102   104   0.15000  1.0 3.0
  110   101   102   105   0.15000  1.0 3.0
  110   101   106   107   0.15000  1.0 3.0
  110   101   106   108   0.15000  1.0 3.0
  110   101   106   109   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   48    91    54    57   1.10000 -1.0 2.0
   60    58    57    54   1.10000 -1.0 2.0
   57    66    60    61  10.50000 -1.0 2.0
   60    67    66    79   1.10000 -1.0 2.0
   91    80    79    66   1.10000 -1.0 2.0
   59    76    64    65  10.50000 -1.0 2.0
   90    98    92    93  10.50000 -1.0 2.0
END
