* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    209    339     629
    1     0 S   NP   _N1_     1    28.00226    94.88127   -22.35543
    2     1 S   H    _HN1     2     1.02779    94.49498  -108.83951
    3     1 S   H    _H1_     3     1.02959    87.48628    -0.66116
    4     1 S   H    _H2_     4     1.02838    29.37670   131.95006
    5     1 S   CT   _CA1     5     1.50110   139.59974   118.49259
    6     5 S   HC   _HA1     6     1.09576   105.24843    66.23604
    7     5 S   CO3  _C1_     7     1.53841   112.30717   -53.96875
    8     7 S   O2Z  _O11     8     1.26362   115.02634   -45.84176
    9     7 S   O2Z  _O12     9     1.26236   114.93491   133.29065
   10     5 S   CT   _CB1    10     1.53112   107.41765  -175.88944
   11    10 S   HC   HB11    11     1.09819   109.46596   -50.88169
   12    10 S   HC   HB12    12     1.09818   110.37969    65.73160
   13    10 S   CT   _CG1    13     1.52966   112.54394  -171.97931
   14    13 S   HC   HG11    14     1.09495   110.19831   -61.79903
   15    13 S   HC   HG12    15     1.09639   110.05154    57.28704
   16    13 S   C    _CD1    16     1.51817   112.44503   177.83915
   17    16 S   O    _OE1    17     1.22742   123.24132    -4.11618
   18    16 S   N    _N2_    18     1.38543   111.67941   175.90835
   19    18 S   H    _HN2    19     1.01566   119.02737     5.37389
   20    18 S   CT1  _CA2    20     1.45871   123.08907   178.68419
   21    20 S   HC   _HA2    21     1.09706   109.10659    18.90585
   22    20 S   C    _C2_    22     1.52820   106.62869   -98.33794
   23    22 S   O    _O2_    23     1.23004   122.87287   -30.07534
   24    20 S   CT   _CB2    32     1.53348   112.21909   142.06212
   25    24 S   HC   HB21    33     1.09494   109.48024    54.67733
   26    24 S   HC   HB22    34     1.09354   109.65548   173.39170
   27    22 S   N    _N3_    24     1.38457   112.73633   152.63843
   28    27 S   H    _HN3    25     1.01662   120.41620    -1.48833
   29    24 S   S    _SG2    35     1.83025   110.60169   -65.33105
   30    27 S   CT   _CA3    26     1.45356   122.33378   178.44405
   31    30 S   HC   HA31    27     1.09571   107.40806   -63.55195
   32    30 S   HC   HA32    28     1.09568   107.98839    52.73410
   33    29 S   CT   _C11    36     1.89307   102.61324  -166.10324
   34    30 S   CO3  _C3_    29     1.52856   114.45396   174.64244
   35    34 S   O2Z  _O31    30     1.26310   116.10831    -6.28578
   36    34 S   O2Z  _O32    31     1.26457   114.38698   173.92101
   37    33 S   CM   _C12    37     1.51359   105.10936    67.19967
   38    37 S   HC   _H19    38     1.09200   116.04440    52.98753
   39    33 S   CT   _C30   104     1.54434   103.31724  -179.16140
   40    39 S   HC   _H34   105     1.09482   112.66067    58.94258
   41    39 S   HC   _H35   106     1.09841   111.73576   -61.25828
   42    39 S   HC   _H36   107     1.09148   112.71742   179.59749
   43    37 S   CMA  _C13    39     1.34805   126.69751  -124.78982
   44    43 S   OM   _O43    40     1.26379   128.44274   175.72360
   45    43 S   CT   _C14    41     1.54315   118.82143    -3.56370
   46    45 S   HC   _H5_    42     1.10014   106.54533    96.45655
   47    45 S   CT   _C15    43     1.58660   115.40472   -23.93245
   48    45 S   OH   _O42   102     1.43009   110.75739  -148.98110
   49    48 S   HO   _H33   103     0.97387   106.51824   -28.02737
   50    33 S   CT   _C10    44     1.57424   112.48496   -55.86002
   51    50 S   HC   _H4_    45     1.09620   105.22291    40.56838
   52    47 S   CT   _C29    98     1.55095   108.57127   -67.68008
   53    52 S   HC   _H30    99     1.09061   112.63603   166.92348
   54    52 S   HC   _H31   100     1.09321   112.13692    46.32637
   55    52 S   HC   _H32   101     1.09047   113.23575   -71.16129
   56    50 S   CT   _C9_    46     1.55123   115.41285   -75.86982
   57    56 S   HC   _H3_    47     1.09358   109.55053   -72.21847
   58    56 S   CT   _C18    48     1.53709   109.85001   165.16185
   59    58 S   HC   _H7_    49     1.09749   109.12033  -178.28194
   60    56 S   OS   _O34    84     1.44700   110.72921    47.38725
   61    58 S   CT   _C17    50     1.52128   113.32616    58.58534
   62    60 S   CO4  _C8_    85     1.35986   117.66700  -155.87078
   63    62 S   O    _O33    86     1.22186   126.53417     3.74063
   64    61 S   CT   _C25    51     1.53809   112.50465    68.84884
   65    64 S   HC   _H20    52     1.09094   114.11387   -36.02242
   66    64 S   HC   _H21    53     1.09519   113.14204    85.52851
   67    61 S   CT   _C21    62     1.57785   107.56242  -171.40851
   68    67 S   HC   _H9_    63     1.10229   107.25007   -59.05728
   69    62 S   CM   _C6_    87     1.48855   108.85959  -175.93177
   70    64 S   OS   _O37    54     1.43791   106.39001  -154.62552
   71    67 S   CT   _C20    64     1.53743   110.71375    55.84167
   72    71 S   HC   _H8_    65     1.09333   111.00636    71.28565
   73    69 S   CM   _C5_    88     1.34487   116.05042  -145.97426
   74    73 S   HC   _H15    89     1.08922   119.28819     0.78484
   75    69 S   CT   _C7_    94     1.49763   117.59348    36.24844
   76    75 S   HC   _H16    95     1.09287   110.29621   -81.26322
   77    75 S   HC   _H17    96     1.09573   110.60674    38.58026
   78    75 S   HC   _H18    97     1.09298   112.69602   157.51186
   79    70 S   CO   _C24    55     1.44576   108.22148     3.09193
   80    71 S   CO4  _C19    66     1.51513   112.88458   -49.85391
   81    80 S   O    _O36    67     1.22785   123.31300  -146.90647
   82    71 S   OS   _O40    69     1.44412   109.76237  -166.43016
   83    73 S   CT   _C4_    90     1.49568   126.76277   179.32478
   84    83 S   HC   _H12    91     1.09484   109.46242  -127.86704
   85    83 S   HC   _H13    92     1.09414   109.87736   113.53852
   86    83 S   HC   _H14    93     1.09194   113.45850    -8.07142
   87    47 S   CT   _C16    56     1.61534   109.02807   169.44926
   88    87 S   HC   _H6_    57     1.09361   104.42238   -33.80713
   89    79 S   CT   _C23    58     1.55108   107.06072   -92.61382
   90    89 S   HC   _H11    59     1.09824   108.25407   -63.62030
   91    58 S   OS   _O35    68     1.45246   105.66326   -65.23804
   92    82 S   CO4  _C27    70     1.36496   117.67451  -148.14565
   93    92 S   O    _O41    71     1.22299   126.40505     1.15691
   94    79 S   OH   _O38    82     1.41379   110.62997   149.63579
   95    94 S   HO   _H22    83     0.97048   109.09685    88.21527
   96    89 S   CT   _C22    60     1.54035   112.76429    54.57677
   97    96 S   HC   _H10    61     1.10030   105.48305   -75.09801
   98    92 S   CT   _C28    72     1.49829   109.45434  -179.10169
   99    98 S   HC   _H27    73     1.09284   109.82744   -61.91376
  100    98 S   HC   _H28    74     1.09376   109.35605   178.98124
  101    98 S   HC   _H29    75     1.09292   109.82683    60.00021
  102    89 S   OH   _O39    80     1.42561   111.10080  -178.55233
  103   102 S   HO   _H23    81     0.96922   109.45534   -66.34781
  104    96 S   CT   _C26    76     1.52875   111.66077   172.40824
  105   104 S   HC   _H24    77     1.09316   112.40298   -61.93070
  106   104 S   HC   _H25    78     1.09464   110.93202   175.70842
  107   104 S   HC   _H26    79     1.09605   110.15439    57.30757
  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  12   5   4   3
  18   2   1   1  14   5   8   3   2   1   9   4  15   6  21   4
   1  16   6   8   3   2   1  13   6  18   7   7  19   9   3  13
   5   4  21   9  10   9  13   6   9   5   4   2   1   1  11   5
   2   8   3   2   1   1   8   2  11   6   1   5   4   3   1   7
   5   3   2   1   1   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    50    51    56    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    50    51    56    57    58    87    60    52    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    50    51    56    48    39    40    41    42  
   43    44    45    50    39  
   40    41    42    43    47    50    51    56  
   41    42    50  
   42    50  
   50  
   44    45    46    47    50    87    52    48    49  
   45    46    47    48  
   46    47    50    51    56    61    79    87    88    52    53    54    55    48    49  
   47    50    87    52    48    49  
   50    51    56    57    58    61    64    70    79    87    88    89    67    94    60    52    53    54    55    48    49  
   49    50    52    87  
    0  
   51    56    57    58    59    61    79    87    88    91    60    62    52    53    54    55  
   56    57    58    87    60    52  
   53    54    55    56    61    79    87    88  
   54    55    87  
   55    87  
   87  
   57    58    59    61    64    87    67    80    91    60    62    63    69  
   58    59    61    91    60    62  
   59    61    64    65    66    70    79    87    88    96    67    68    71    80    81    91    60    62  
   61    64    87    67    80    91    60  
   62    63    69    73    75    61    91  
   64    65    66    70    79    87    88    89    96    97    67    68    71    72    80    91    82   104    94  
   63    69    73    74    83    75    76    77    78  
   69    73    75  
   65    66    70    79    87    88    89    96    67    68    71    91    94  
   66    70    79    87    67  
   70    79    87    67  
   68    71    72    80    81    91    82    92   104   105   106   107   102    70    79    87    88    89    90    96    97  
   71    72    80    82   104    87    89    96    97  
   73    74    83    84    85    86    75    76    77    78  
   79    87    88    89    90    96   102    94    95  
   72    80    81    91    82    92    93    98   104    87    89    96    97  
   80    81    91    82    92    96  
   74    83    84    85    86    75    76    77    78  
   83    84    85    86    75  
   76    77    78    83  
   77    78  
   78  
    0  
   87    88    89    90    96    97   104   102   103    94    95  
   81    91    82    92    96  
   91    82  
   92    93    98    99   100   101    91    96  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    96    91   102    94    95  
   89    94  
   90    96    97   104   105   106   107   102   103    94    95  
   96    97   104   102   103    94  
    0  
   93    98    99   100   101  
   98    99   100   101  
   95    96   102  
    0  
   97   104   105   106   107   102   103  
  104   105   106   107   102  
   99   100   101  
  100   101  
  101  
    0  
  103   104  
    0  
  105   106   107  
  106   107  
  107  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   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   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   270.000  1.512
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    50   268.000  1.529
   47    87   268.000  1.529
   47    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    60   320.000  1.410
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    91   320.000  1.410
   61    64   268.000  1.529
   61    87   268.000  1.529
   61    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   320.000  1.410
   70    79   320.000  1.380
   79    87   250.000  1.527
   79    89   250.000  1.527
   79    94   380.000  1.407
   87    88   340.000  1.090
   89    90   340.000  1.090
   89    96   268.000  1.529
   89   102   320.000  1.410
   96    97   340.000  1.090
   96    67   268.000  1.529
   96   104   268.000  1.529
   67    68   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    80   317.000  1.522
   71    82   320.000  1.410
   80    81   570.000  1.229
   80    91   214.000  1.327
   82    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   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  102   103   553.000  0.945
   94    95   553.000  0.945
   60    62   214.000  1.327
   62    63   570.000  1.229
   62    69   320.000  1.462
   69    73   549.000  1.340
   69    75   317.000  1.510
   73    74   340.000  1.080
   73    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    45    46    45.00000  110.52000
   43    45    47    70.00000  112.02700
   43    45    48    90.00000  110.39200
   45    43    44    85.00000  112.85300
   45    47    50    58.35000  112.70000
   45    47    87    58.35000  112.70000
   45    47    52    58.35000  112.70000
   45    48    49    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    56    58.35000  112.70000
   47    87    61    58.35000  112.70000
   47    87    79    75.00000  109.43000
   47    87    88    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   50    33    37    70.00000  112.02700
   50    56    57    37.50000  110.70000
   50    56    58    58.35000  112.70000
   50    56    60    50.00000  109.50000
   56    50    51    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    61    58.35000  112.70000
   56    58    91    50.00000  109.50000
   56    60    62    83.00000  116.90000
   58    56    57    37.50000  110.70000
   58    61    64    58.35000  112.70000
   58    61    87    58.35000  112.70000
   58    61    67    58.35000  112.70000
   58    91    80    83.00000  116.90000
   61    58    59    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    70    50.00000  109.50000
   61    87    79    75.00000  109.43000
   61    87    88    37.50000  110.70000
   61    67    96    58.35000  112.70000
   61    67    68    37.50000  110.70000
   61    67    71    58.35000  112.70000
   64    70    79    60.00000  109.50000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    79    87    90.00000  108.56700
   70    79    89    90.00000  108.56700
   70    79    94   110.00000  112.08000
   79    87    88    45.00000  108.72000
   79    89    90    45.00000  108.72000
   79    89    96    75.00000  109.43000
   79    89   102    90.00000  111.58700
   79    94    95    70.00000  107.92000
   87    47    50    58.35000  112.70000
   87    61    64    58.35000  112.70000
   89    79    87    65.00000  112.71400
   89    96    97    37.50000  110.70000
   89    96    67    58.35000  112.70000
   89    96   104    58.35000  112.70000
   89   102   103    55.00000  108.50000
   96    89    90    37.50000  110.70000
   96    67    68    37.50000  110.70000
   96    67    71    58.35000  112.70000
   96   104   105    37.50000  110.70000
   96   104   106    37.50000  110.70000
   96   104   107    37.50000  110.70000
   67    61    64    58.35000  112.70000
   67    61    87    58.35000  112.70000
   67    96    97    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    80    63.00000  111.10000
   67    71    82    50.00000  109.50000
   71    67    68    37.50000  110.70000
   71    80    81    80.00000  120.40000
   71    80    91    81.00000  111.40000
   71    82    92    83.00000  116.90000
   80    71    72    35.00000  109.50000
   91    58    59    35.00000  109.50000
   91    58    61    50.00000  109.50000
   91    80    81    83.00000  123.40000
   82    71    72    35.00000  109.50000
   82    71    80    90.00000  108.74100
   82    92    93    83.00000  123.40000
   82    92    98    81.00000  111.40000
   92    98    99    35.00000  109.50000
   92    98   100    35.00000  109.50000
   92    98   101    35.00000  109.50000
   98    92    93    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  104    96    97    37.50000  110.70000
  104    96    67    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  102    89    90    35.00000  109.50000
  102    89    96    50.00000  109.50000
   94    79    87    90.00000  110.19100
   94    79    89    90.00000  110.19100
   60    56    57    35.00000  109.50000
   60    56    58    50.00000  109.50000
   60    62    63    83.00000  123.40000
   60    62    69    90.00000  111.29400
   62    69    73    65.00000  118.96000
   62    69    75    65.00000  116.34900
   69    62    63    80.00000  123.72100
   69    73    74    35.00000  120.00000
   69    73    83    70.00000  124.00000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   73    83    84    35.00000  109.50000
   73    83    85    35.00000  109.50000
   73    83    86    35.00000  109.50000
   83    73    74    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   75    69    73    70.00000  124.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   52    47    50    58.35000  112.70000
   52    47    87    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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
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   71    82    92    93   3.00000 -1.0 2.0
   71    82    92    98   1.63150  1.0 1.0
   71    82    92    98   2.92000 -1.0 2.0
   72    71    80    81   0.00000  1.0 1.0
   72    71    80    91   0.00000  1.0 1.0
   72    71    82    92   0.08050  1.0 3.0
   80    71    82    92  -1.80650  1.0 1.0
   80    71    82    92   0.63900 -1.0 2.0
   80    71    82    92   0.03650  1.0 3.0
   81    80    91    58   3.00000 -1.0 2.0
   91    58    61    64   0.62750  1.0 1.0
   91    58    61    64  -0.30950 -1.0 2.0
   91    58    61    64   0.27300  1.0 3.0
   91    58    61    87   0.62750  1.0 1.0
   91    58    61    87  -0.30950 -1.0 2.0
   91    58    61    87   0.27300  1.0 3.0
   91    58   -61    67   0.62750  1.0 1.0
   91    58   -61    67  -0.30950 -1.0 2.0
   91    58   -61    67   0.27300  1.0 3.0
   82    71    80    81   0.30150 -1.0 2.0
   82    71    80    91   0.40000  1.0 3.0
   82    92    98    99   0.00000  1.0 1.0
   82    92    98   100   0.00000  1.0 1.0
   82    92    98   101   0.00000  1.0 1.0
   93    92    98    99   0.00000  1.0 1.0
   93    92    98   100   0.00000  1.0 1.0
   93    92    98   101   0.00000  1.0 1.0
  104    96    67    61   0.56750  1.0 1.0
  104    96    67    61  -0.07550 -1.0 2.0
  104    96    67    61   0.20000  1.0 3.0
  104    96    67    68   0.15000  1.0 3.0
  104    96    67    71   0.56750  1.0 1.0
  104    96    67    71  -0.07550 -1.0 2.0
  104    96    67    71   0.20000  1.0 3.0
  102    89    96    97   0.23400  1.0 3.0
  102    89    96    67   0.86500  1.0 1.0
  102    89    96    67  -0.17500 -1.0 2.0
  102    89    96    67   0.20800  1.0 3.0
  102    89    96   104   0.86500  1.0 1.0
  102    89    96   104  -0.17500 -1.0 2.0
  102    89    96   104   0.20800  1.0 3.0
   94    79    87    47   0.86500  1.0 1.0
   94    79    87    47  -0.17500 -1.0 2.0
   94    79    87    47   0.20800  1.0 3.0
   94    79    87    61   0.86500  1.0 1.0
   94    79    87    61  -0.17500 -1.0 2.0
   94    79    87    61   0.20800  1.0 3.0
   94    79    87    88   0.23400  1.0 3.0
   94    79    89    90   0.23400  1.0 3.0
   94    79    89    96   0.86500  1.0 1.0
   94    79    89    96  -0.17500 -1.0 2.0
   94    79    89    96   0.20800  1.0 3.0
   94    79    89   102   3.75450  1.0 1.0
   60    56    58    59   0.23400  1.0 3.0
   60    56    58    61   0.62750  1.0 1.0
   60    56    58    61  -0.30950 -1.0 2.0
   60    56    58    61   0.27300  1.0 3.0
   60    56    58    91   1.11900  1.0 1.0
   60    56    58    91  -1.16350 -1.0 2.0
   60    56    58    91  -0.34150  1.0 3.0
   60    62    69    73  -0.56150  1.0 1.0
   60    62    69    73   2.19150 -1.0 2.0
   60    62    69    75  -0.15000  1.0 1.0
   60    62    69    75   0.89550 -1.0 2.0
   60    62    69    75  -0.06900  1.0 3.0
   62    69    73    74   7.00000 -1.0 2.0
   62    69    73    83   7.00000 -1.0 2.0
   62    69    75    76   0.15000  1.0 3.0
   62    69    75    77   0.15000  1.0 3.0
   62    69    75    78   0.15000  1.0 3.0
   63    62    69    73   1.00000 -1.0 2.0
   63    62    69    75  -0.64400  1.0 1.0
   63    62    69    75   0.26850 -1.0 2.0
   69    73    83    84   0.00000  1.0 1.0
   69    73    83    85   0.00000  1.0 1.0
   69    73    83    86   0.00000  1.0 1.0
   73    69    75    76   0.00000  1.0 1.0
   73    69    75    77   0.00000  1.0 1.0
   73    69    75    78   0.00000  1.0 1.0
   74    73    83    84   0.33100  1.0 3.0
   74    73    83    85   0.33100  1.0 3.0
   74    73    83    86   0.33100  1.0 3.0
   75    69    73    74   7.00000 -1.0 2.0
   75    69    73    83   7.00000 -1.0 2.0
   52    47    50    33   0.56750  1.0 1.0
   52    47    50    33  -0.07550 -1.0 2.0
   52    47    50    33   0.20000  1.0 3.0
   52    47    50    51   0.15000  1.0 3.0
   52    47    50    56   0.56750  1.0 1.0
   52    47    50    56  -0.07550 -1.0 2.0
   52    47    50    56   0.20000  1.0 3.0
   52    47    87    61   0.56750  1.0 1.0
   52    47    87    61  -0.07550 -1.0 2.0
   52    47    87    61   0.20000  1.0 3.0
   52    47    87    79   3.97050  1.0 1.0
   52    47    87    88   0.15000  1.0 3.0
   48    45    47    50   0.86500  1.0 1.0
   48    45    47    50  -0.17500 -1.0 2.0
   48    45    47    50   0.20800  1.0 3.0
   48    45    47    87   0.86500  1.0 1.0
   48    45    47    87  -0.17500 -1.0 2.0
   48    45    47    87   0.20800  1.0 3.0
   48    45    47    52   0.86500  1.0 1.0
   48    45    47    52  -0.17500 -1.0 2.0
   48    45    47    52   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    56   0.56750  1.0 1.0
   39    33    50    56  -0.07550 -1.0 2.0
   39    33    50    56   0.20000  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
   33    38    37    43   1.10000 -1.0 2.0
   45    44    43    37   1.10000 -1.0 2.0
   71    91    80    81  10.50000 -1.0 2.0
   82    98    92    93  10.50000 -1.0 2.0
   60    69    62    63  10.50000 -1.0 2.0
   62    75    69    73  15.00000 -1.0 2.0
   83    74    73    69  15.00000 -1.0 2.0
END
