* LIGAND DATABASE FILE (OPLS2005)
*
001     112   115    225    368     686
    1     0 S   NP   _N1_     1    28.86374    95.83279   -26.14947
    2     1 S   H    _HN1     2     1.02797   120.66590   -95.59698
    3     1 S   H    _H1_     3     1.02948    74.01354     6.58824
    4     1 S   H    _H2_     4     1.02827    33.13239  -170.78800
    5     1 S   CT   _CA1     5     1.50129   122.36915   110.96806
    6     5 S   HC   _HA1     6     1.09574   105.16410    94.23143
    7     5 S   CO3  _C1_     7     1.53761   112.39668   -25.99199
    8     7 S   O2Z  _O11     8     1.26378   115.00793   -44.03955
    9     7 S   O2Z  _O12     9     1.26226   114.93242   134.89666
   10     5 S   CT   _CB1    10     1.53046   107.39424  -147.81762
   11    10 S   HC   HB11    11     1.09845   109.33708   -49.28066
   12    10 S   HC   HB12    12     1.09810   110.48227    67.30012
   13    10 S   CT   _CG1    13     1.53037   112.65507  -170.19288
   14    13 S   HC   HG11    14     1.09567   110.77145   -67.30096
   15    13 S   HC   HG12    15     1.09665   109.68847    51.97052
   16    13 S   C    _CD1    16     1.51814   111.84759   172.48101
   17    16 S   O    _OE1    17     1.22772   123.11911    13.98083
   18    16 S   N    _N2_    18     1.38639   111.94254  -166.08744
   19    18 S   H    _HN2    19     1.01588   119.04429     0.85569
   20    18 S   CT1  _CA2    20     1.46241   123.30511   176.49133
   21    20 S   HC   _HA2    21     1.09743   109.25267     8.16198
   22    20 S   C    _C2_    22     1.53707   108.96224  -107.35823
   23    22 S   O    _O2_    23     1.23090   122.19457  -149.45098
   24    20 S   CT   _CB2    32     1.53516   111.67414   130.12687
   25    24 S   HC   HB21    33     1.09388   109.44640    57.92285
   26    24 S   HC   HB22    34     1.09414   109.43652   176.74081
   27    22 S   N    _N3_    24     1.38297   113.92114    38.06030
   28    27 S   H    _HN3    25     1.01536   119.61705    -3.28980
   29    24 S   S    _SG2    35     1.83001   111.04294   -63.85744
   30    27 S   CT   _CA3    26     1.45282   123.31466   177.21421
   31    30 S   HC   HA31    27     1.09546   107.50678   -65.00323
   32    30 S   HC   HA32    28     1.09554   108.01049    51.46584
   33    29 S   CT   _C17    36     1.89491   102.92552   171.52043
   34    30 S   CO3  _C3_    29     1.52984   114.01786   173.46244
   35    34 S   O2Z  _O31    30     1.26388   116.07083    -0.65072
   36    34 S   O2Z  _O32    31     1.26422   114.42248   179.41583
   37    33 S   CM   _C22    37     1.52469   105.49011   -65.44716
   38    37 S   HC   _H30    38     1.09053   115.99015    80.18705
   39    33 S   CT   _C16   102     1.55477   108.09742    52.17143
   40    39 S   HC   _H24   103     1.09839   109.71573    49.82894
   41    39 S   HC   _H25   104     1.09708   111.05397   -67.21681
   42    37 S   CMA  _C21    39     1.35018   127.05074  -100.80218
   43    42 S   OM   _O33    40     1.26212   129.23790  -178.98586
   44    42 S   CT   _C20    41     1.52343   119.56766     0.65790
   45    44 S   HC   _H28    42     1.10016   110.51501   130.89052
   46    44 S   HC   _H29    43     1.09983   109.10336  -112.74545
   47    44 S   CT   _C19    44     1.53269   115.14225     9.38067
   48    47 S   HC   _H26    45     1.09796   108.08133    81.96497
   49    47 S   HC   _H27    46     1.09626   109.09349  -164.94339
   50    33 S   CT   _C18    47     1.59891   110.72379   174.62626
   51    50 S   CT   _C13    48     1.58180   108.75252  -169.34030
   52    51 S   HC   _H6_    49     1.09175   105.33651   -59.00301
   53    50 S   CT   _C23   109     1.55174   112.90171   -47.27167
   54    53 S   HC   _H31   110     1.09321   112.55870   -50.48223
   55    53 S   HC   _H32   111     1.09476   111.35479  -171.59706
   56    53 S   HC   _H33   112     1.09536   111.98807    70.23777
   57    51 S   CT   _C12    50     1.54026   117.52567  -175.11705
   58    57 S   HC   _H20    51     1.09375   111.72565    45.73451
   59    57 S   HC   _H21    52     1.09666   109.89151   -72.32653
   60    57 S   CT   _C11    53     1.54921   112.03429   166.66664
   61    60 S   HC   _H18    54     1.09155   107.32116   159.82894
   62    60 S   HC   _H19    55     1.09805   108.13502   -88.01504
   63    60 S   CT   _C10    56     1.54910   113.97680    34.15947
   64    63 S   CT   _C9_    57     1.54070   110.22748    23.30465
   65    64 S   HC   _H5_    58     1.09947   106.73342    59.16248
   66    63 S   CT   _C24   105     1.56207   108.13809  -100.17004
   67    66 S   HC   _H34   106     1.09484   112.55605  -178.64969
   68    66 S   HC   _H35   107     1.08955   113.77856    59.73065
   69    66 S   HC   _H36   108     1.09729   110.09890   -59.98610
   70    64 S   CT   _C8_    59     1.52025   104.27833   169.78165
   71    70 S   HC   _H16    60     1.09483   112.07111  -159.52585
   72    70 S   HC   _H17    61     1.09472   112.32079    79.28115
   73    51 S   CT   _C14    97     1.55075   111.47376    57.09338
   74    73 S   HC   _H7_    98     1.09837   108.39756    51.08539
   75    70 S   CT   _C7_    62     1.53496   103.47975   -39.41860
   76    75 S   HC   _H14    63     1.09598   110.12602   140.60763
   77    75 S   HC   _H15    64     1.09385   109.47900  -102.43117
   78    73 S   CT   _C15    99     1.52399   109.11286   -63.42314
   79    78 S   HC   _H22   100     1.09555   111.01422   -62.48918
   80    78 S   HC   _H23   101     1.09597   110.44697   179.09691
   81    63 S   CT   _C6_    65     1.57449   118.47512   139.76328
   82    81 S   HC   _H4_    66     1.09559   106.01015    95.95252
   83    81 S   CT   _C5_    67     1.56122   120.12375   -22.73834
   84    83 S   HC   _H3_    68     1.09321   107.60573    56.66120
   85    83 S   CT   _C4_    69     1.54206   113.91325   -59.66706
   86    85 S   HC   _H11    70     1.09406   111.83245   -65.10301
   87    85 S   HC   _H12    71     1.09121   112.34861    56.68623
   88    85 S   HC   _H13    72     1.09484   111.08825   174.74115
   89    83 S   CT   _C25    73     1.56598   113.30686   175.26112
   90    89 S   HC   _H8_    74     1.09793   107.92532    75.25941
   91    89 S   CT   _C26    75     1.55163   118.15650   -46.72989
   92    91 S   HC   _H9_    76     1.09079   110.37966    46.65250
   93    89 S   OH   _O35    95     1.43388   109.44608  -170.25559
   94    93 S   HO   _H48    96     0.97172   107.89204   -78.74731
   95    91 S   CT   _C27    77     1.55854   117.92817   -81.30112
   96    95 S   HC   _H10    78     1.09952   106.94673   -64.81471
   97    91 S   OH   _O34    93     1.44378   106.39806   159.89114
   98    97 S   HO   _H47    94     0.97230   107.61866   -63.03100
   99    95 S   CT   _C28    79     1.53033   113.33005    53.11380
  100    99 S   HC   _H37    80     1.09402   111.74431    50.29560
  101    99 S   HC   _H38    81     1.09329   110.68808   -70.92363
  102    99 S   HC   _H39    82     1.09344   111.98543   171.37415
  103    95 S   CT   _C29    83     1.56707   111.17571  -179.64502
  104   103 S   HC   _H40    84     1.09734   108.27433    46.78021
  105   103 S   CT   _C30    85     1.53222   113.71811   -72.26116
  106   105 S   HC   _H41    86     1.09464   111.78444   -64.23531
  107   105 S   HC   _H42    87     1.09578   110.33736   176.33531
  108   105 S   HC   _H43    88     1.09338   111.70197    57.20410
  109   103 S   CT   _C31    89     1.53448   111.86982   163.07299
  110   109 S   HC   _H44    90     1.09393   112.21589    68.91518
  111   109 S   HC   _H45    91     1.09574   110.33817  -171.42245
  112   109 S   HC   _H46    92     1.09490   110.92243   -52.40448
  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
  23   2   1   1  14   5  13   6   5   8   4   8   5   4  11   4
   3  14  20   9   5   2   1   1  12   6   5  15   5   4  21  19
   9   9   3   2   1  11   6   5   6   3   8   4   3   2   1   1
  11   4  13   8   7   3   2   1  11   6  15   7   3   1  17   9
   3   1   7   3   2   1   9   8   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    78    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    73    78    79    80    39    40    41    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    78    39    40    41    53  
   42    43    44    50    39  
   40    41    53    42    47    50    51    64    73    74    78    79    80  
   41    50    73    78    79    80  
   50    73    78    79    80  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    73    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    59    60    64    73    74    78    53    54    55    56  
   52    57    58    59    60    61    62    63    64    65    70    73    74    78    79    80    53    54    55    56  
   57    58    59    60    64    73    74    78    53  
   54    55    56    57    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    81    73    74    78    66  
   59    60    61    62    63    73  
   60    61    62    63    73  
   61    62    63    64    65    70    75    81    82    83    73    66    67    68    69  
   62    63    64    81    66  
   63    64    81    66  
   64    65    70    71    72    75    76    77    81    82    83    84    85    89    73    74    78    66    67    68    69  
   65    70    71    72    75    76    77    81    82    83    73    74    78    79    80    66    67    68    69  
   70    71    72    75    81    73    74    78    66  
   67    68    69    70    73    75    81    82    83  
   68    69    81  
   69    81  
   81  
   71    72    75    76    77    81    82    83    73    74    78  
   72    75    76    77    81    73  
   75    76    77    81    73  
   74    78    79    80    75    81  
   78    79    80  
   76    77    81    82    83    84    85    89  
   77    81    82    83  
   81    82    83  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89    90    91    93  
   83    84    85    89  
   84    85    86    87    88    89    90    91    92    95    97    93    94  
   85    86    87    88    89    90    91    93  
   86    87    88    89    90    91    93  
   87    88    89  
   88    89  
   89  
   90    91    92    95    96    99   103    97    98    93    94  
   91    92    95    97    93    94  
   92    95    96    99   100   101   102   103   104   105   109    97    98    93    94  
   95    96    99   103    97    98    93  
   94    95    97  
    0  
   96    99   100   101   102   103   104   105   106   107   108   109   110   111   112    97    98  
   99   100   101   102   103   104   105   109    97  
   98    99   103  
    0  
  100   101   102   103   104   105   109  
  101   102   103  
  102   103  
  103  
  104   105   106   107   108   109   110   111   112  
  105   106   107   108   109   110   111   112  
  106   107   108   109   110   111   112  
  107   108   109  
  108   109  
  109  
  110   111   112  
  111   112  
  112  
    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  -0.120000   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   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   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   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  112   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    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    73   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    81   268.000  1.529
   63    66   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    73   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    89   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   89    90   340.000  1.090
   89    91   268.000  1.529
   89    93   320.000  1.410
   91    92   340.000  1.090
   91    95   268.000  1.529
   91    97   320.000  1.410
   95    96   340.000  1.090
   95    99   268.000  1.529
   95   103   268.000  1.529
   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   268.000  1.529
  103   109   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   97    98   553.000  0.945
   93    94   553.000  0.945
   73    74   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   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    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    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    78    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    73    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   51    73    64    58.35000  112.70000
   51    73    74    37.50000  110.70000
   51    73    78    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    81    58.35000  112.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    70    58.35000  112.70000
   63    64    73    58.35000  112.70000
   63    81    75    58.35000  112.70000
   63    81    82    37.50000  110.70000
   63    81    83    58.35000  112.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    75    58.35000  112.70000
   64    73    74    37.50000  110.70000
   64    73    78    58.35000  112.70000
   70    64    65    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    81    58.35000  112.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    58.35000  112.70000
   77    75    76    33.00000  107.80000
   81    63    64    58.35000  112.70000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    83    84    37.50000  110.70000
   81    83    85    58.35000  112.70000
   81    83    89    58.35000  112.70000
   83    81    82    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    87    37.50000  110.70000
   83    85    88    37.50000  110.70000
   83    89    90    37.50000  110.70000
   83    89    91    58.35000  112.70000
   83    89    93    50.00000  109.50000
   85    83    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   89    83    84    37.50000  110.70000
   89    83    85    58.35000  112.70000
   89    91    92    37.50000  110.70000
   89    91    95    58.35000  112.70000
   89    91    97    50.00000  109.50000
   89    93    94    55.00000  108.50000
   91    89    90    37.50000  110.70000
   91    95    96    37.50000  110.70000
   91    95    99    58.35000  112.70000
   91    95   103    58.35000  112.70000
   91    97    98    55.00000  108.50000
   95    91    92    37.50000  110.70000
   95    99   100    37.50000  110.70000
   95    99   101    37.50000  110.70000
   95    99   102    37.50000  110.70000
   95   103   104    37.50000  110.70000
   95   103   105    58.35000  112.70000
   95   103   109    58.35000  112.70000
   99    95    96    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  103    95    96    37.50000  110.70000
  103    95    99    58.35000  112.70000
  103   105   106    37.50000  110.70000
  103   105   107    37.50000  110.70000
  103   105   108    37.50000  110.70000
  103   109   110    37.50000  110.70000
  103   109   111    37.50000  110.70000
  103   109   112    37.50000  110.70000
  105   103   104    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   103   104    37.50000  110.70000
  109   103   105    58.35000  112.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   97    91    92    35.00000  109.50000
   97    91    95    50.00000  109.50000
   93    89    90    35.00000  109.50000
   93    89    91    50.00000  109.50000
   73    51    52    37.50000  110.70000
   73    51    57    58.35000  112.70000
   73    64    65    37.50000  110.70000
   73    64    70    58.35000  112.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    39    58.35000  112.70000
   78    73    74    37.50000  110.70000
   78    39    40    37.50000  110.70000
   78    39    41    37.50000  110.70000
   80    78    79    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    78    79    37.50000  110.70000
   39    78    80    37.50000  110.70000
   41    39    40    33.00000  107.80000
   66    63    64    58.35000  112.70000
   66    63    81    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    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
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   81    83    89    93  -0.17500 -1.0 2.0
   81    83    89    93   0.20800  1.0 3.0
   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    89   0.15000  1.0 3.0
   83    89    91    92   0.15000  1.0 3.0
   83    89    91    95   0.56750  1.0 1.0
   83    89    91    95  -0.07550 -1.0 2.0
   83    89    91    95   0.20000  1.0 3.0
   83    89    91    97   0.86500  1.0 1.0
   83    89    91    97  -0.17500 -1.0 2.0
   83    89    91    97   0.20800  1.0 3.0
   83    89    93    94  -0.11600  1.0 1.0
   83    89    93    94  -0.09450 -1.0 2.0
   83    89    93    94   0.21250  1.0 3.0
   84    83    85    86   0.15000  1.0 3.0
   84    83    85    87   0.15000  1.0 3.0
   84    83    85    88   0.15000  1.0 3.0
   84    83    89    90   0.15000  1.0 3.0
   84    83    89    91   0.15000  1.0 3.0
   84    83    89    93   0.23400  1.0 3.0
   85    83    89    90   0.15000  1.0 3.0
   85    83    89    91   0.56750  1.0 1.0
   85    83    89    91  -0.07550 -1.0 2.0
   85    83    89    91   0.20000  1.0 3.0
   85    83    89    93   0.86500  1.0 1.0
   85    83    89    93  -0.17500 -1.0 2.0
   85    83    89    93   0.20800  1.0 3.0
   89    83    85    86   0.15000  1.0 3.0
   89    83    85    87   0.15000  1.0 3.0
   89    83    85    88   0.15000  1.0 3.0
   89    91    95    96   0.15000  1.0 3.0
   89    91    95    99   0.56750  1.0 1.0
   89    91    95    99  -0.07550 -1.0 2.0
   89    91    95    99   0.20000  1.0 3.0
   89    91    95   103   0.56750  1.0 1.0
   89    91    95   103  -0.07550 -1.0 2.0
   89    91    95   103   0.20000  1.0 3.0
   89    91    97    98  -0.11600  1.0 1.0
   89    91    97    98  -0.09450 -1.0 2.0
   89    91    97    98   0.21250  1.0 3.0
   90    89    91    92   0.15000  1.0 3.0
   90    89    91    95   0.15000  1.0 3.0
   90    89    91    97   0.23400  1.0 3.0
   90    89    93    94   0.19450  1.0 3.0
   91    89    93    94  -0.11600  1.0 1.0
   91    89    93    94  -0.09450 -1.0 2.0
   91    89    93    94   0.21250  1.0 3.0
   91    95    99   100   0.15000  1.0 3.0
   91    95    99   101   0.15000  1.0 3.0
   91    95    99   102   0.15000  1.0 3.0
   91    95   103   104   0.15000  1.0 3.0
   91    95   103   105   0.56750  1.0 1.0
   91    95   103   105  -0.07550 -1.0 2.0
   91    95   103   105   0.20000  1.0 3.0
   91    95   103   109   0.56750  1.0 1.0
   91    95   103   109  -0.07550 -1.0 2.0
   91    95   103   109   0.20000  1.0 3.0
   92    91    95    96   0.15000  1.0 3.0
   92    91    95    99   0.15000  1.0 3.0
   92    91    95   103   0.15000  1.0 3.0
   92    91    97    98   0.19450  1.0 3.0
   95    91    97    98  -0.11600  1.0 1.0
   95    91    97    98  -0.09450 -1.0 2.0
   95    91    97    98   0.21250  1.0 3.0
   95   103   105   106   0.15000  1.0 3.0
   95   103   105   107   0.15000  1.0 3.0
   95   103   105   108   0.15000  1.0 3.0
   95   103   109   110   0.15000  1.0 3.0
   95   103   109   111   0.15000  1.0 3.0
   95   103   109   112   0.15000  1.0 3.0
   96    95    99   100   0.15000  1.0 3.0
   96    95    99   101   0.15000  1.0 3.0
   96    95    99   102   0.15000  1.0 3.0
   96    95   103   104   0.15000  1.0 3.0
   96    95   103   105   0.15000  1.0 3.0
   96    95   103   109   0.15000  1.0 3.0
   99    95   103   104   0.15000  1.0 3.0
   99    95   103   105   0.56750  1.0 1.0
   99    95   103   105  -0.07550 -1.0 2.0
   99    95   103   105   0.20000  1.0 3.0
   99    95   103   109   0.56750  1.0 1.0
   99    95   103   109  -0.07550 -1.0 2.0
   99    95   103   109   0.20000  1.0 3.0
  103    95    99   100   0.15000  1.0 3.0
  103    95    99   101   0.15000  1.0 3.0
  103    95    99   102   0.15000  1.0 3.0
  104   103   105   106   0.15000  1.0 3.0
  104   103   105   107   0.15000  1.0 3.0
  104   103   105   108   0.15000  1.0 3.0
  104   103   109   110   0.15000  1.0 3.0
  104   103   109   111   0.15000  1.0 3.0
  104   103   109   112   0.15000  1.0 3.0
  105   103   109   110   0.15000  1.0 3.0
  105   103   109   111   0.15000  1.0 3.0
  105   103   109   112   0.15000  1.0 3.0
  109   103   105   106   0.15000  1.0 3.0
  109   103   105   107   0.15000  1.0 3.0
  109   103   105   108   0.15000  1.0 3.0
   97    91    95    96   0.23400  1.0 3.0
   97    91    95    99   0.86500  1.0 1.0
   97    91    95    99  -0.17500 -1.0 2.0
   97    91    95    99   0.20800  1.0 3.0
   97    91    95   103   0.86500  1.0 1.0
   97    91    95   103  -0.17500 -1.0 2.0
   97    91    95   103   0.20800  1.0 3.0
   93    89    91    92   0.23400  1.0 3.0
   93    89    91    95   0.86500  1.0 1.0
   93    89    91    95  -0.17500 -1.0 2.0
   93    89    91    95   0.20800  1.0 3.0
   93    89    91    97   3.75450  1.0 1.0
   73    51    57    58   0.15000  1.0 3.0
   73    51    57    59   0.15000  1.0 3.0
   73    51   -57    60   0.56750  1.0 1.0
   73    51   -57    60  -0.07550 -1.0 2.0
   73    51   -57    60   0.20000  1.0 3.0
   73    64    70    71   0.15000  1.0 3.0
   73    64    70    72   0.15000  1.0 3.0
   73    64    70    75   0.56750  1.0 1.0
   73    64    70    75  -0.07550 -1.0 2.0
   73    64    70    75   0.20000  1.0 3.0
   73    78   -39    33   0.56750  1.0 1.0
   73    78   -39    33  -0.07550 -1.0 2.0
   73    78   -39    33   0.20000  1.0 3.0
   73    78    39    40   0.15000  1.0 3.0
   73    78    39    41   0.15000  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    39   0.15000  1.0 3.0
   79    78    39    33   0.15000  1.0 3.0
   79    78    39    40   0.15000  1.0 3.0
   79    78    39    41   0.15000  1.0 3.0
   80    78    39    33   0.15000  1.0 3.0
   80    78    39    40   0.15000  1.0 3.0
   80    78    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -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   0.56750  1.0 1.0
   39    33   -50    51  -0.07550 -1.0 2.0
   39    33   -50    51   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    70   0.56750  1.0 1.0
   66    63    64    70  -0.07550 -1.0 2.0
   66    63    64    70   0.20000  1.0 3.0
   66    63    64    73   0.56750  1.0 1.0
   66    63    64    73  -0.07550 -1.0 2.0
   66    63    64    73   0.20000  1.0 3.0
   66    63    81    75   0.56750  1.0 1.0
   66    63    81    75  -0.07550 -1.0 2.0
   66    63    81    75   0.20000  1.0 3.0
   66    63    81    82   0.15000  1.0 3.0
   66    63    81    83   0.56750  1.0 1.0
   66    63    81    83  -0.07550 -1.0 2.0
   66    63    81    83   0.20000  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    73   0.56750  1.0 1.0
   53    50    51    73  -0.07550 -1.0 2.0
   53    50    51    73   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    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
END
