* LIGAND DATABASE FILE (OPLS2005)
*
001     113   116    217    340     648
    1     0 S   NP   _N1_     1    31.14937    86.94150   -21.82668
    2     1 S   H    _HN1     2     1.02760   131.54004   -53.77873
    3     1 S   H    _H1_     3     1.03105   104.36922    77.31644
    4     1 S   H    _H2_     4     1.02821    26.72237   -21.66388
    5     1 S   CT   _CA1     5     1.50264    87.72540  -171.91471
    6     5 S   HC   _HA1     6     1.09589   104.97899    73.61660
    7     5 S   CO3  _C1_     7     1.53866   112.74733   -45.99881
    8     7 S   O2Z  _O11     8     1.26384   115.19170   -36.94904
    9     7 S   O2Z  _O12     9     1.26259   114.91597   141.92909
   10     5 S   CT   _CB1    10     1.53087   107.28261  -168.87279
   11    10 S   HC   HB11    11     1.09796   108.94859   -49.61496
   12    10 S   HC   HB12    12     1.09835   110.41756    66.53282
   13    10 S   CT   _CG1    13     1.53261   113.05647  -171.24339
   14    13 S   HC   HG11    14     1.09516   109.97602   -66.87471
   15    13 S   HC   HG12    15     1.09600   110.58732    52.11964
   16    13 S   C    _CD1    16     1.51872   111.12092   171.06000
   17    16 S   O    _OE1    17     1.22918   122.19445   -39.38544
   18    16 S   N    _N2_    18     1.38594   112.97410   141.51327
   19    18 S   H    _HN2    19     1.01562   119.49274     1.54180
   20    18 S   CT1  _CA2    20     1.46463   122.93499  -175.48130
   21    20 S   HC   _HA2    21     1.09760   108.97587   -16.42581
   22    20 S   C    _C2_    22     1.53283   108.93300  -132.10532
   23    22 S   O    _O2_    23     1.23041   122.36990  -149.40356
   24    20 S   CT   _CB2    32     1.53971   111.90030   105.02230
   25    24 S   HC   HB21    33     1.09466   109.20725    61.06994
   26    24 S   HC   HB22    34     1.09355   109.76927  -179.98022
   27    22 S   N    _N3_    24     1.38392   113.48869    38.33674
   28    27 S   H    _HN3    25     1.01665   119.48048    -4.03828
   29    24 S   S    _SG2    35     1.82478   110.57315   -59.09934
   30    27 S   CT   _CA3    26     1.45287   122.94416   176.70271
   31    30 S   HC   HA31    27     1.09559   107.60642   -61.33843
   32    30 S   HC   HA32    28     1.09564   107.81467    54.99509
   33    29 S   CT   _C17    36     1.91837   104.05967  -170.47564
   34    30 S   CO3  _C3_    29     1.52891   114.29506   176.95432
   35    34 S   O2Z  _O31    30     1.26336   116.09465     0.17246
   36    34 S   O2Z  _O32    31     1.26442   114.38858  -179.80517
   37    33 S   CT   _C16    37     1.54437   108.51849    72.51308
   38    37 S   HC   _H6_    38     1.09387   112.79937   -53.98923
   39    33 S   CT   _C30   110     1.57964   108.56800   -47.95652
   40    39 S   OM   _O40   111     1.32619   110.39219   -63.11706
   41    39 S   HC   _H37   112     1.09742   107.42174   167.21284
   42    39 S   HC   _H38   113     1.10229   105.41850    64.29956
   43    37 S   CT   _C15    39     1.53523   106.14091    67.11164
   44    43 S   HC   _H21    40     1.09573   110.54052   -91.39582
   45    43 S   HC   _H22    41     1.09462   111.60106   149.10449
   46    37 S   OS   _O36    57     1.43348   109.45494  -171.57575
   47    43 S   CT   _C14    42     1.54270   104.96624    28.55639
   48    47 S   HC   _H5_    43     1.08809   110.41251   126.16577
   49    33 S   CT   _C18    44     1.62038   111.24659   177.35632
   50    47 S   OS   _O35    91     1.44436   110.75893  -116.94169
   51    49 S   CT   _C19    45     1.63380   112.94776  -177.98142
   52    49 S   CT   _C29   106     1.54164   111.98518    54.35339
   53    52 S   HC   _H34   107     1.09222   112.44647    73.77267
   54    52 S   HC   _H35   108     1.09265   113.12576   -46.65062
   55    52 S   HC   _H36   109     1.08878   111.61163  -165.15715
   56    51 S   CT   _C20    46     1.56414   112.64177   -76.55615
   57    56 S   HC   _H23    47     1.08324   111.99684    49.79684
   58    56 S   HC   _H24    48     1.09666   110.73154   -66.92506
   59    51 S   CT   _C26    62     1.58869   113.48342   165.23441
   60    59 S   HC   _H31    63     1.09583   110.45078   178.63857
   61    59 S   HC   _H32    64     1.09305   112.34578   -64.44158
   62    56 S   CT   _C21    49     1.53428   115.05044   170.85462
   63    62 S   HC   _H25    50     1.09758   107.83534  -162.49394
   64    62 S   HC   _H26    51     1.09657   110.14025    82.17112
   65    59 S   OS   _O37    65     1.43637   111.77176    57.25640
   66    62 S   CM   _C22    52     1.50148   113.98078   -40.75120
   67    65 S   CO4  _C27    66     1.36352   117.19263   166.09001
   68    67 S   O    _O38    67     1.22380   125.78030    -2.48065
   69    66 S   CM   _C23    53     1.34224   122.21519    15.37105
   70    69 S   HC   _H27    54     1.08818   119.10710  -179.58035
   71    66 S   CT   _C25    58     1.50086   116.00320  -165.09088
   72    71 S   HC   _H28    59     1.09485   110.22849   -58.71074
   73    71 S   HC   _H29    60     1.09506   112.21936  -178.74805
   74    71 S   HC   _H30    61     1.09480   110.31058    61.14524
   75    67 S   CT   _C28    68     1.52479   109.59947   178.54223
   76    75 S   HC   _H8_    69     1.09670   107.48622    50.35592
   77    51 S   CT   _C24    55     1.57009   109.07403    47.19404
   78    77 S   HC   _H7_    56     1.09752   108.39445    87.15242
   79    75 S   CT   _C5_    70     1.54733   111.96399   -71.34769
   80    79 S   HC   _H3_    71     1.09422   108.34767    50.23223
   81    75 S   OH   _O39   104     1.42076   109.59436   166.57712
   82    81 S   HO   _H33   105     0.97273   107.58827   -59.08803
   83    79 S   CT   _C6_    72     1.55036   110.15373   168.81512
   84    83 S   HC   _H13    73     1.09775   108.20654    70.56047
   85    83 S   HC   _H14    74     1.09677   109.74211   -45.26974
   86    79 S   CT   _C4_   100     1.53689   111.42702   -67.72169
   87    86 S   HC   _H10   101     1.09503   111.61943   -65.13712
   88    86 S   HC   _H11   102     1.09390   111.44545   174.48584
   89    86 S   HC   _H12   103     1.09478   111.06763    55.46891
   90    83 S   CT   _C7_    75     1.53717   114.17228  -168.72995
   91    90 S   HC   _H15    76     1.09575   108.16673  -131.23627
   92    90 S   HC   _H16    77     1.09332   113.50491   -13.27950
   93    90 S   OS   _O33    78     1.43287   112.57289   112.64679
   94    93 S   CT   _C8_    79     1.43128   114.77786   -73.60471
   95    94 S   HC   _H4_    80     1.09512   109.18893    44.04806
   96    94 S   CM   _C9_    81     1.51147   110.33941   -77.64131
   97    96 S   HC   _H17    82     1.08627   117.72536   -63.66691
   98    94 S   CT   _C31    92     1.54337   109.71667   160.36592
   99    98 S   HC   _H9_    93     1.09716   109.25087   179.32507
  100    96 S   CM   _C10    83     1.34030   121.79665   117.86258
  101   100 S   HC   _H18    84     1.08316   117.76019    -3.51536
  102    98 S   CT   _C32    94     1.52503   111.94896   -59.64288
  103   102 S   HC   _H39    95     1.09527   111.34265    64.39888
  104   102 S   HC   _H40    96     1.09423   111.27422   -57.25273
  105   102 S   HC   _H41    97     1.09551   110.29174  -177.61953
  106    98 S   OH   _O41    98     1.42882   110.61445    61.13904
  107   106 S   HO   _H42    99     0.97648   106.51501   173.67120
  108   100 S   CM   _C11    85     1.44285   125.06046   176.90358
  109   108 S   HC   _H19    86     1.08826   116.25472     6.40582
  110   108 S   CM   _C12    87     1.34253   126.21083  -175.01218
  111   110 S   HC   _H20    88     1.08632   119.12247  -175.55067
  112   110 S   CO4  _C13    89     1.48051   126.12831     1.48648
  113   112 S   O    _O34    90     1.22231   122.43318  -137.62105
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  22   2   1   1  18   8   9   3   2   1  11   6   5  10  14   5
  18   7  20   6   2   1   1  14   7   6  10   4   3  10   4   3
   7   8   9   4   7   3   4   2   1   1  13   6   1   1  14   9
   3   1  11   6   5   4   2   1   1   7   3   2   9  14   7  10
   4   8   6   6   3   5   3   2   1   1   1   5   3   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    49    51    46    52    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    48    49    51    56    77    46    59    50    52    53    54    55    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    47    48    49    51    69    77    78    46    50    52    39    40    41    42  
   43    44    45    47    49    77    46    39  
   40    41    42    43    46    47    49    51    52  
   41    42    49  
   42    49  
   49  
   44    45    47    48    49    51    77    46   112    50    52  
   45    47    48    49    46    50  
   47    48    49    46    50  
   59    47    49    51    56    66    69    70    77    78  
   48    49    51    56    77    59   110   112   113    50    52    53    54    55  
   49    51   112    50    52  
   51    56    57    58    62    69    77    78    59    60    61    65   112    50    52    53    54    55  
   52    51   108   110   111   112   113  
   56    57    58    62    63    64    66    69    70    77    78    59    60    61    65    67    52    53    54    55  
   53    54    55    56    59    77  
   54    55  
   55  
    0  
   57    58    62    63    64    66    69    77    78    71    59    60    61    65  
   58    62    63    64    66    77    59  
   62    63    64    66    77    59  
   60    61    65    67    68    75    62    69    77    78  
   61    65    67    77  
   65    67    77  
   63    64    66    69    70    77    71    72    73    74  
   64    66    69    71  
   66    69    71  
   67    68    75    76    79    81    77  
   69    70    77    78    71    72    73    74  
   68    75    76    79    80    83    86    81    82  
   75    76    79    81  
   70    77    78    71    72    73    74  
   77    78    71  
   72    73    74    77  
   73    74  
   74  
    0  
   76    79    80    83    84    85    90    86    87    88    89    81    82  
   79    80    83    86    81    82  
   78  
    0  
   80    83    84    85    90    91    92    93    86    87    88    89    81    82  
   83    84    85    90    86    87    88    89    81  
   82    83    86  
    0  
   84    85    90    91    92    93    94    86    87    88    89  
   85    90    91    92    93    86  
   90    91    92    93    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93    94    95    96    98  
   92    93    94  
   93    94  
   94    95    96    97   100    98    99   102   106  
   95    96    97   100   101   108    98    99   102   103   104   105   106   107  
   96    97   100    98    99   102   106  
   97   100   101   108   109   110    98    99   102   106  
  100   101   108    98  
   99   102   103   104   105   106   107   100  
  102   103   104   105   106   107  
  101   108   109   110   111   112  
  108   109   110  
  103   104   105   106   107  
  104   105   106  
  105   106  
  106  
  107  
    0  
  109   110   111   112   113  
  110   111   112  
  111   112   113  
  112   113  
  113  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  108   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  109   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  111   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  112   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   320.000  1.410
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    56   268.000  1.529
   51    77   268.000  1.529
   51    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   317.000  1.510
   66    69   549.000  1.340
   66    71   317.000  1.510
   69    70   340.000  1.080
   69    77   317.000  1.510
   77    78   340.000  1.090
   77    46   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   320.000  1.410
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    75   317.000  1.522
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    81   320.000  1.410
   79    80   340.000  1.090
   79    83   268.000  1.529
   79    86   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   320.000  1.410
   93    94   320.000  1.410
   94    95   340.000  1.090
   94    96   317.000  1.510
   94    98   268.000  1.529
   96    97   340.000  1.080
   96   100   549.000  1.340
  100   101   340.000  1.080
  100   108   380.000  1.444
  108   109   340.000  1.080
  108   110   549.000  1.340
  110   111   340.000  1.080
  110   112   320.000  1.462
  112   113   570.000  1.229
  112    50   214.000  1.327
   98    99   340.000  1.090
   98   102   268.000  1.529
   98   106   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   81    82   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   39    40   570.000  1.307
   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  111.63000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    46    50.00000  109.50000
   33    49    47    58.35000  112.70000
   33    49    51    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    47    58.35000  112.70000
   37    46    77    60.00000  109.50000
   43    37    38    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    58.35000  112.70000
   43    47    50    50.00000  109.50000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    52    58.35000  112.70000
   47    50   112    83.00000  116.90000
   49    33    37    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    56    58.35000  112.70000
   49    51    77    58.35000  112.70000
   49    51    59    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   51    77    69    70.00000  112.02700
   51    77    78    37.50000  110.70000
   51    77    46    50.00000  109.50000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    65    50.00000  109.50000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    66    70.00000  112.02700
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    66    69    70.00000  124.00000
   62    66    71    65.00000  117.92700
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   66    69    70    35.00000  120.00000
   66    69    77    70.00000  124.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   69    77    78    35.00000  109.50000
   69    77    46    85.00000  110.90400
   77    51    56    58.35000  112.70000
   77    69    70    35.00000  117.00000
   46    37    38    35.00000  109.50000
   46    37    43    50.00000  109.50000
   46    77    78    35.00000  109.50000
   71    66    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   59    51    56    58.35000  112.70000
   59    51    77    58.35000  112.70000
   59    65    67    83.00000  116.90000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    75    81.00000  111.40000
   67    75    76    35.00000  109.50000
   67    75    79    63.00000  111.10000
   67    75    81    90.00000  109.61100
   75    67    68    80.00000  120.40000
   75    79    80    37.50000  110.70000
   75    79    83    58.35000  112.70000
   75    79    86    58.35000  112.70000
   75    81    82    55.00000  108.50000
   79    75    76    37.50000  110.70000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    90    58.35000  112.70000
   79    86    87    37.50000  110.70000
   79    86    88    37.50000  110.70000
   79    86    89    37.50000  110.70000
   83    79    80    37.50000  110.70000
   83    90    91    37.50000  110.70000
   83    90    92    37.50000  110.70000
   83    90    93    50.00000  109.50000
   85    83    84    33.00000  107.80000
   90    83    84    37.50000  110.70000
   90    83    85    37.50000  110.70000
   90    93    94    60.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
   93    94    95    35.00000  109.50000
   93    94    96    85.00000  110.90400
   93    94    98    50.00000  109.50000
   94    96    97    35.00000  117.00000
   94    96   100    70.00000  124.00000
   94    98    99    37.50000  110.70000
   94    98   102    58.35000  112.70000
   94    98   106    50.00000  109.50000
   96    94    95    35.00000  109.50000
   96   100   101    35.00000  120.00000
   96   100   108    70.00000  123.01800
  100    96    97    35.00000  120.00000
  100   108   109    35.00000  120.00000
  100   108   110    70.00000  123.01800
  108   100   101    35.00000  120.00000
  108   110   111    35.00000  120.00000
  108   110   112    65.00000  118.96000
  110   108   109    35.00000  120.00000
  110   112   113    80.00000  123.72100
  110   112    50    90.00000  111.29400
  112   110   111    40.00000  117.72500
   50    47    48    35.00000  109.50000
   50    47    49    50.00000  109.50000
   50   112   113    83.00000  123.40000
   98    94    95    37.50000  110.70000
   98    94    96    70.00000  112.02700
   98   102   103    37.50000  110.70000
   98   102   104    37.50000  110.70000
   98   102   105    37.50000  110.70000
   98   106   107    55.00000  108.50000
  102    98    99    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106    98    99    35.00000  109.50000
  106    98   102    50.00000  109.50000
   86    79    80    37.50000  110.70000
   86    79    83    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   81    75    76    35.00000  109.50000
   81    75    79    50.00000  109.50000
   52    49    51    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
   39    33    37    58.35000  112.70000
   39    33    49    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   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
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   83    90    93    94   0.28050  1.0 3.0
   84    83    90    91   0.15000  1.0 3.0
   84    83    90    92   0.15000  1.0 3.0
   84    83    90    93   0.23400  1.0 3.0
   85    83    90    91   0.15000  1.0 3.0
   85    83    90    92   0.15000  1.0 3.0
   85    83    90    93   0.23400  1.0 3.0
   90    93    94    95   0.37050  1.0 3.0
   90    93    94    96  -0.77900  1.0 1.0
   90    93    94    96  -0.36900 -1.0 2.0
   90    93    94    96   0.40400  1.0 3.0
   90    93    94    98   0.06250  1.0 1.0
   90    93    94    98  -0.01100 -1.0 2.0
   90    93    94    98   0.28050  1.0 3.0
   91    90    93    94   0.37050  1.0 3.0
   92    90    93    94   0.37050  1.0 3.0
   93    94    96    97   0.00000  1.0 1.0
   93    94    96   100   0.39000  1.0 1.0
   93    94    96   100  -0.05800 -1.0 2.0
   93    94    96   100  -0.55150  1.0 3.0
   93    94    98    99   0.23400  1.0 3.0
   93    94    98   102   0.62750  1.0 1.0
   93    94    98   102  -0.30950 -1.0 2.0
   93    94    98   102   0.27300  1.0 3.0
   93    94    98   106   3.69350  1.0 1.0
   93    94    98   106  -1.82950 -1.0 2.0
   94    96   100   101   7.00000 -1.0 2.0
   94    96   100   108   7.00000 -1.0 2.0
   94    98   102   103   0.15000  1.0 3.0
   94    98   102   104   0.15000  1.0 3.0
   94    98   102   105   0.15000  1.0 3.0
   94    98   106   107  -0.11600  1.0 1.0
   94    98   106   107  -0.09450 -1.0 2.0
   94    98   106   107   0.21250  1.0 3.0
   95    94    96    97   0.33100  1.0 3.0
   95    94    96   100   0.00000  1.0 1.0
   95    94    98    99   0.15000  1.0 3.0
   95    94    98   102   0.15000  1.0 3.0
   95    94    98   106   0.23400  1.0 3.0
   96    94    98    99   0.15000  1.0 3.0
   96    94    98   102   0.34400  1.0 1.0
   96    94    98   102   0.09450 -1.0 2.0
   96    94    98   102   0.11100  1.0 3.0
   96    94    98   106   1.05650  1.0 1.0
   96    94    98   106   0.15600 -1.0 2.0
   96    94    98   106   0.53150  1.0 3.0
   96   100   108   109  -0.18600  1.0 3.0
   96   100   108   110   0.28850  1.0 1.0
   96   100   108   110   2.61350 -1.0 2.0
   96   100   108   110   0.78400  1.0 3.0
   97    96   100   101   7.00000 -1.0 2.0
   97    96   100   108   7.00000 -1.0 2.0
  100   108   110   111   7.00000 -1.0 2.0
  100   108   110   112   7.00000 -1.0 2.0
  101   100   108   109   0.00000  1.0 1.0
  101   100   108   110  -0.18600  1.0 3.0
  108   110   112   113   1.00000 -1.0 2.0
  108   110   112    50  -0.56150  1.0 1.0
  108   110   112    50   2.19150 -1.0 2.0
  109   108   110   111   7.00000 -1.0 2.0
  109   108   110   112   7.00000 -1.0 2.0
  110   112    50    47   2.00000 -1.0 2.0
  111   110   112   113   0.00000  1.0 1.0
  111   110   112    50   1.63100 -1.0 2.0
  113   112    50    47   3.00000 -1.0 2.0
   50    47    49    33   0.62750  1.0 1.0
   50    47    49    33  -0.30950 -1.0 2.0
   50    47    49    33   0.27300  1.0 3.0
   50    47    49    51   0.62750  1.0 1.0
   50    47    49    51  -0.30950 -1.0 2.0
   50    47    49    51   0.27300  1.0 3.0
   50    47    49    52   0.62750  1.0 1.0
   50    47    49    52  -0.30950 -1.0 2.0
   50    47    49    52   0.27300  1.0 3.0
   98    94    96    97   0.00000  1.0 1.0
   98    94    96   100   0.09850  1.0 1.0
   98    94    96   100   0.15250 -1.0 2.0
   98    94    96   100  -0.50650  1.0 3.0
   99    98   102   103   0.15000  1.0 3.0
   99    98   102   104   0.15000  1.0 3.0
   99    98   102   105   0.15000  1.0 3.0
   99    98   106   107   0.19450  1.0 3.0
  102    98   106   107  -0.11600  1.0 1.0
  102    98   106   107  -0.09450 -1.0 2.0
  102    98   106   107   0.21250  1.0 3.0
  106    98   102   103   0.23400  1.0 3.0
  106    98   102   104   0.23400  1.0 3.0
  106    98   102   105   0.23400  1.0 3.0
   86    79    83    84   0.15000  1.0 3.0
   86    79    83    85   0.15000  1.0 3.0
   86    79    83    90   0.56750  1.0 1.0
   86    79    83    90  -0.07550 -1.0 2.0
   86    79    83    90   0.20000  1.0 3.0
   81    75    79    80   0.23400  1.0 3.0
   81    75    79    83   0.86500  1.0 1.0
   81    75    79    83  -0.17500 -1.0 2.0
   81    75    79    83   0.20800  1.0 3.0
   81    75    79    86   0.86500  1.0 1.0
   81    75    79    86  -0.17500 -1.0 2.0
   81    75    79    86   0.20800  1.0 3.0
   52    49    51    56   0.56750  1.0 1.0
   52    49    51    56  -0.07550 -1.0 2.0
   52    49    51    56   0.20000  1.0 3.0
   52    49    51    77   0.56750  1.0 1.0
   52    49    51    77  -0.07550 -1.0 2.0
   52    49    51    77   0.20000  1.0 3.0
   52    49    51    59   0.56750  1.0 1.0
   52    49    51    59  -0.07550 -1.0 2.0
   52    49    51    59   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    46   0.62750  1.0 1.0
   39    33    37    46  -0.30950 -1.0 2.0
   39    33    37    46   0.27300  1.0 3.0
   39    33    49    47   0.56750  1.0 1.0
   39    33    49    47  -0.07550 -1.0 2.0
   39    33    49    47   0.20000  1.0 3.0
   39    33    49    51   0.56750  1.0 1.0
   39    33    49    51  -0.07550 -1.0 2.0
   39    33    49    51   0.20000  1.0 3.0
   39    33    49    52   0.56750  1.0 1.0
   39    33    49    52  -0.07550 -1.0 2.0
   39    33    49    52   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
   62    71    66    69   1.10000 -1.0 2.0
   77    70    69    66   1.10000 -1.0 2.0
   65    75    67    68  10.50000 -1.0 2.0
   94    97    96   100   1.10000 -1.0 2.0
  108   101   100    96   1.10000 -1.0 2.0
  100   109   108   110   1.10000 -1.0 2.0
  112   111   110   108   1.10000 -1.0 2.0
  110    50   112   113  10.50000 -1.0 2.0
END
