* LIGAND DATABASE FILE (OPLS2005)
*
001     111   112    212    317     629
    1     0 S   NP   _N1_     1    28.89759    93.38926   -21.23616
    2     1 S   H    _HN1     2     1.02794    97.48116   -92.69647
    3     1 S   H    _H1_     3     1.02948    82.65597    14.97305
    4     1 S   H    _H2_     4     1.02827    31.84958   155.24320
    5     1 S   CT   _CA1     5     1.50144   140.36586   128.27509
    6     5 S   HC   _HA1     6     1.09570   105.16587    74.15446
    7     5 S   CO3  _C1_     7     1.53778   112.40759   -46.10533
    8     7 S   O2Z  _O11     8     1.26388   114.99137   -42.74809
    9     7 S   O2Z  _O12     9     1.26221   114.94931   136.16904
   10     5 S   CT   _CB1    10     1.53044   107.39509  -167.81469
   11    10 S   HC   HB11    11     1.09844   109.41227   -48.49702
   12    10 S   HC   HB12    12     1.09811   110.44209    68.10725
   13    10 S   CT   _CG1    13     1.53028   112.64990  -169.38144
   14    13 S   HC   HG11    14     1.09576   110.78733   -66.54754
   15    13 S   HC   HG12    15     1.09662   109.70064    52.73512
   16    13 S   C    _CD1    16     1.51810   111.84669   173.30989
   17    16 S   O    _OE1    17     1.22773   123.13046    14.06574
   18    16 S   N    _N2_    18     1.38606   111.92202  -166.26028
   19    18 S   H    _HN2    19     1.01600   119.05853     1.23353
   20    18 S   CT1  _CA2    20     1.46276   123.37076   177.96423
   21    20 S   HC   _HA2    21     1.09738   109.25460     7.47966
   22    20 S   C    _C2_    22     1.53623   109.12546  -108.19685
   23    22 S   O    _O2_    23     1.23091   122.16963  -150.02056
   24    20 S   CT   _CB2    32     1.53417   111.41409   129.31393
   25    24 S   HC   HB21    33     1.09433   109.37908    58.50121
   26    24 S   HC   HB22    34     1.09451   110.08282   177.22498
   27    22 S   N    _N3_    24     1.38293   113.91053    37.51226
   28    27 S   H    _HN3    25     1.01549   119.59732    -3.43690
   29    24 S   S    _SG2    35     1.82925   110.96415   -63.12451
   30    27 S   CT   _CA3    26     1.45278   123.28112   177.14330
   31    30 S   HC   HA31    27     1.09548   107.52133   -64.56723
   32    30 S   HC   HA32    28     1.09556   107.98300    51.88252
   33    29 S   CT   _C8_    36     1.85361   101.49041   167.43740
   34    33 S   HC   _H5_    37     1.08664   104.82261   176.84427
   35    30 S   CO3  _C3_    29     1.52975   114.05489   173.88362
   36    35 S   O2Z  _O31    30     1.26383   116.08437    -0.18767
   37    35 S   O2Z  _O32    31     1.26427   114.41135   179.87180
   38    33 S   CM   _C9_    38     1.51260   108.06426   -65.67736
   39    38 S   HC   _H19    39     1.09466   111.72487    93.95982
   40    33 S   CT   _C7_    58     1.57428   113.30733    61.15048
   41    40 S   HC   _H4_    59     1.09664   107.82368   -63.24402
   42    38 S   CMA  _C10    40     1.35820   133.74831   -86.40936
   43    42 S   OM   _O38    41     1.26717   125.44884  -179.21242
   44    40 S   CT   _C28    60     1.54179   111.00770    54.52624
   45    44 S   HC   _H44    61     1.09419   111.23393    58.81729
   46    44 S   HC   _H45    62     1.09360   111.93694   -62.06090
   47    44 S   HC   _H46    63     1.09330   111.71805   179.70261
   48    42 S   CT   _C11    42     1.55779   125.31393     1.39227
   49    48 S   HC   _H6_    43     1.10300   108.18073  -164.33187
   50    48 S   CT   _C12    44     1.55244   118.65490   -46.55740
   51    50 S   HC   _H20    45     1.09182   108.00124    78.28096
   52    50 S   HC   _H21    46     1.09928   108.67045  -169.13009
   53    48 S   CT   _C27   108     1.53998   111.08335    81.64284
   54    53 S   HC   _H41   109     1.09237   111.93738   -73.01061
   55    53 S   HC   _H42   110     1.09593   110.27325   167.69191
   56    53 S   HC   _H43   111     1.09544   111.58167    48.37970
   57    50 S   CT   _C13    47     1.55062   114.69136   -47.52441
   58    57 S   HC   _H7_    48     1.09004   106.87347    42.11508
   59    57 S   CT   _C14    49     1.56498   112.98883   161.46292
   60    59 S   HC   _H8_    50     1.09786   108.24633    84.90792
   61    57 S   CT   _C26   104     1.53352   110.13104   -73.35001
   62    61 S   HC   _H38   105     1.09511   111.13279   -67.32397
   63    61 S   HC   _H39   106     1.09064   111.64944   171.76498
   64    61 S   HC   _H40   107     1.09401   111.50532    52.96935
   65    59 S   CT   _C15    51     1.55729   115.30413  -151.96424
   66    65 S   HC   _H9_    52     1.09903   109.14391   155.48744
   67    59 S   OS   _O35    75     1.43960   108.97222   -33.12476
   68    65 S   CO4  _C16    53     1.52674   112.01346    39.12605
   69    68 S   O    _O33    54     1.22387   124.63002  -118.96178
   70    65 S   CT   _C17    71     1.52786   113.05083   -86.81029
   71    70 S   HC   _H22    72     1.09198   112.72404    71.99404
   72    70 S   HC   _H23    73     1.09460   111.10942   -50.23724
   73    70 S   HC   _H24    74     1.09632   110.06318  -169.28549
   74    67 S   CO   _C18    76     1.43178   113.99608   138.86013
   75    74 S   HC   _H10    77     1.09793   108.95128    48.52254
   76    68 S   OS   _O34    55     1.36675   109.71656    59.33406
   77    74 S   CT   _C19    78     1.53692   106.89324   167.92449
   78    77 S   HC   _H11    79     1.09521   108.70135    51.01040
   79    76 S   CT   _C6_    56     1.44888   118.07582  -168.53660
   80    79 S   HC   _H3_    57     1.09722   108.71825    36.63581
   81    77 S   CT   _C20    80     1.53442   110.52194   173.06087
   82    81 S   HC   _H12    81     1.09840   107.86210    69.46308
   83    77 S   OH   _O37   102     1.42895   110.47570   -66.12147
   84    83 S   HO   _H37   103     0.97259   108.50008   -47.75654
   85    79 S   CT   _C5_    64     1.54182   108.55790   -80.61028
   86    85 S   HC   _H17    65     1.09587   110.74160   -53.01781
   87    85 S   HC   _H18    66     1.09675   108.92538    61.29327
   88    81 S   CT   _C21    82     1.52719   111.41729   -50.71204
   89    88 S   HC   _H25    83     1.09523   111.00162   174.53126
   90    88 S   HC   _H26    84     1.09651   109.97068   -66.19685
   91    81 S   NP   _N4_    92     1.52730   110.13369  -176.57297
   92    91 S   H    _H30    93     1.03040   104.82400   -42.60225
   93    85 S   CT   _C4_    67     1.51992   114.03608  -177.95340
   94    93 S   HC   _H14    68     1.09448   111.04256   -52.98296
   95    93 S   HC   _H15    69     1.09484   110.01688  -172.48370
   96    93 S   HC   _H16    70     1.09370   111.61433    68.36933
   97    88 S   CT   _C22    85     1.53077   109.20523    52.84373
   98    97 S   HC   _H13    86     1.09734   110.60857    62.17828
   99    91 S   CT   _C24    94     1.50641   116.38575    73.51230
  100    99 S   HC   _H31    95     1.09269   108.98772    70.93274
  101    99 S   HC   _H32    96     1.09370   107.65996  -169.48610
  102    99 S   HC   _H33    97     1.09097   109.10252   -50.86244
  103    91 S   CT   _C25    98     1.50745   112.65907  -156.71373
  104   103 S   HC   _H34    99     1.09252   108.82538   -67.32199
  105   103 S   HC   _H35   100     1.09303   108.26838    53.67602
  106   103 S   HC   _H36   101     1.09339   107.99002   172.32077
  107    74 S   OS   _O36    87     1.42985   110.30447   -72.27524
  108    97 S   CT   _C23    88     1.52236   111.10980  -176.98572
  109   108 S   HC   _H27    89     1.09567   111.06760    61.08642
  110   108 S   HC   _H28    90     1.09415   111.33278   -60.28517
  111   108 S   HC   _H29    91     1.09543   110.31523   179.07254
  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
  16   7   2   1   1  11   4  14   8  11   4   7   3   2   1  12
   8  16   6   5   4   2   1   1  13   8  19   7   5   2   1   1
  11   8  10   9   3   4   2   1   1  13   6   6  14   7   8   4
  20   9   4   1   6   5   4  13   6   5  10   8   3   2   1   1
   6   5   7   3   2   1   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    42    79    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    76    79    80    40    41    44    45    46    47    85  
   38    39    42    79    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    49    50    79    40    41    44    53  
   42    43    48    40  
   41    44    45    46    47    85    86    87    93    42    68    76    79    80  
   44    45    46    47    85    76    79    80  
   43    48    49    50    51    52    57    53    54    55    56  
   48    49    50    53  
   45    46    47    85    76    79    80  
   46    47    79  
   47    79  
   79  
   49    50    51    52    57    58    59    61    53    54    55    56  
   50    51    52    57    53    54    55    56  
   51    52    57    58    59    60    65    67    61    62    63    64    53    54    55    56  
   52    57    58    59    61    53  
   57    58    59    61    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    65    66    68    70    67    74    61    62    63    64  
   59    60    65    67    61    62    63    64  
   60    65    66    68    69    76    70    71    72    73    67    74    75    77   107    61    62    63    64  
   65    66    68    70    67    74    61  
   62    63    64    65    67  
   63    64  
   64  
    0  
   66    68    69    76    79    70    71    72    73    67    74  
   68    69    76    70    71    72    73    67  
   74    75    77    78    81    97   107    83    68    70  
   69    76    79    80    85    70    71    72    73  
   76    79    70  
   71    72    73    76  
   72    73  
   73  
    0  
   75    77    78    81    82    88    97    98   107   108    91    83    84  
   77    78    81    97   107    83  
   79    80    85    86    87    93  
   78    81    82    88    89    90    97   107    91    92    99   103    83    84  
   81    82    88   107    91    83    84  
   80    85    86    87    93    94    95    96  
   85    86    87    93  
   82    88    89    90    97    98   107   108    91    92    99   100   101   102   103   104   105   106    83    84  
   88    89    90    97    91    92    99   103    83  
   84    88    91   107  
    0  
   86    87    93    94    95    96  
   87    93    94    95    96  
   93    94    95    96  
   89    90    97    98   107   108   109   110   111    91    92    99   103  
   90    97    98   107   108    91  
   97    98   107   108    91  
   92    99   100   101   102   103   104   105   106    97  
   99   100   101   102   103   104   105   106  
   94    95    96  
   95    96  
   96  
    0  
   98   107   108   109   110   111  
  107   108   109   110   111  
  100   101   102   103   104   105   106  
  101   102   103  
  102   103  
  103  
  104   105   106  
  105   106  
  106  
    0  
  108   109   110   111  
  109   110   111  
  110   111  
  111  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.100000   1.6450   1.4500   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   92   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   99   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  103   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   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    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    42   465.000  1.376
   42    43   745.000  1.250
   42    48   270.000  1.512
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    67   320.000  1.410
   65    66   340.000  1.090
   65    68   317.000  1.522
   65    70   268.000  1.529
   68    69   570.000  1.229
   68    76   214.000  1.327
   76    79   320.000  1.410
   79    80   340.000  1.090
   79    40   268.000  1.529
   79    85   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   67    74   320.000  1.380
   74    75   340.000  1.090
   74    77   250.000  1.527
   74   107   320.000  1.380
   77    78   340.000  1.090
   77    81   268.000  1.529
   77    83   320.000  1.410
   81    82   340.000  1.090
   81    88   268.000  1.529
   81    91   367.000  1.471
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    97   268.000  1.529
   97    98   340.000  1.090
   97   107   320.000  1.410
   97   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   91    92   434.000  1.010
   91    99   367.000  1.471
   91   103   367.000  1.471
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   83    84   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    42    70.00000  124.00000
   33    40    79    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    48    49    45.00000  110.52000
   42    48    50    70.00000  112.02700
   42    48    53    70.00000  112.02700
   48    42    43    85.00000  112.85300
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    57    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   50    48    49    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    58.35000  112.70000
   50    57    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    65    58.35000  112.70000
   57    59    67    50.00000  109.50000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   59    57    58    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    68    63.00000  111.10000
   59    65    70    58.35000  112.70000
   59    67    74    60.00000  109.50000
   65    59    60    37.50000  110.70000
   65    68    69    80.00000  120.40000
   65    68    76    81.00000  111.40000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   68    65    66    35.00000  109.50000
   68    76    79    83.00000  116.90000
   76    68    69    83.00000  123.40000
   76    79    80    35.00000  109.50000
   76    79    40    50.00000  109.50000
   76    79    85    50.00000  109.50000
   79    40    41    37.50000  110.70000
   79    40    44    58.35000  112.70000
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   79    85    93    58.35000  112.70000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    79    80    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    40    58.35000  112.70000
   85    93    94    37.50000  110.70000
   85    93    95    37.50000  110.70000
   85    93    96    37.50000  110.70000
   87    85    86    33.00000  107.80000
   93    85    86    37.50000  110.70000
   93    85    87    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    68    63.00000  111.10000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    65    50.00000  109.50000
   67    74    75    35.00000  109.50000
   67    74    77    90.00000  108.56700
   67    74   107    92.60000  111.55000
   74    77    78    45.00000  108.72000
   74    77    81    75.00000  109.43000
   74    77    83    90.00000  111.58700
   74   107    97    60.00000  109.50000
   77    74    75    45.00000  112.01100
   77    81    82    37.50000  110.70000
   77    81    88    58.35000  112.70000
   77    81    91    80.00000  111.20000
   77    83    84    55.00000  108.50000
   81    77    78    37.50000  110.70000
   81    88    89    37.50000  110.70000
   81    88    90    37.50000  110.70000
   81    88    97    58.35000  112.70000
   81    91    92    35.00000  109.50000
   81    91    99    75.00000  113.01200
   81    91   103    75.00000  113.01200
   88    81    82    37.50000  110.70000
   88    97    98    37.50000  110.70000
   88    97   107    50.00000  109.50000
   88    97   108    58.35000  112.70000
   90    88    89    33.00000  107.80000
   97    88    89    37.50000  110.70000
   97    88    90    37.50000  110.70000
   97   108   109    37.50000  110.70000
   97   108   110    37.50000  110.70000
   97   108   111    37.50000  110.70000
  107    74    75    35.00000  109.50000
  107    74    77    90.00000  108.56700
  107    97    98    35.00000  109.50000
  108    97    98    37.50000  110.70000
  108    97   107    50.00000  109.50000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   91    81    82    35.00000  109.50000
   91    81    88    80.00000  111.20000
   91    99   100    35.00000  109.50000
   91    99   101    35.00000  109.50000
   91    99   102    35.00000  109.50000
   91   103   104    35.00000  109.50000
   91   103   105    35.00000  109.50000
   91   103   106    35.00000  109.50000
   99    91    92    35.00000  109.50000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  103    91    92    35.00000  109.50000
  103    91    99    75.00000  113.01200
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    81    50.00000  109.50000
   61    57    58    37.50000  110.70000
   61    57    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
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
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  103    91    99   102   0.15000  1.0 3.0
   83    77    81    82   0.23400  1.0 3.0
   83    77    81    88   0.86500  1.0 1.0
   83    77    81    88  -0.17500 -1.0 2.0
   83    77    81    88   0.20800  1.0 3.0
   83    77    81    91   1.69300  1.0 1.0
   83    77    81    91  -0.48450 -1.0 2.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    65   0.56750  1.0 1.0
   61    57    59    65  -0.07550 -1.0 2.0
   61    57    59    65   0.20000  1.0 3.0
   61    57    59    67   0.62750  1.0 1.0
   61    57    59    67  -0.30950 -1.0 2.0
   61    57    59    67   0.27300  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    57   0.56750  1.0 1.0
   53    48    50    57  -0.07550 -1.0 2.0
   53    48    50    57   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   48    43    42    38   1.10000 -1.0 2.0
   65    76    68    69  10.50000 -1.0 2.0
END
