* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    215    347     646
    1     0 S   NP   _N1_     1    28.85107    95.55828   -25.57444
    2     1 S   H    _HN1     2     1.02792   117.74258   -91.81772
    3     1 S   H    _H1_     3     1.02948    73.31908    10.52998
    4     1 S   H    _H2_     4     1.02829    33.83361  -172.50158
    5     1 S   CT   _CA1     5     1.50119   125.57295   114.04764
    6     5 S   HC   _HA1     6     1.09573   105.18531    94.10452
    7     5 S   CO3  _C1_     7     1.53774   112.38829   -26.13180
    8     7 S   O2Z  _O11     8     1.26372   115.01383   -44.35555
    9     7 S   O2Z  _O12     9     1.26229   114.93698   134.66284
   10     5 S   CT   _CB1    10     1.53062   107.40697  -147.94578
   11    10 S   HC   HB11    11     1.09839   109.36113   -49.57852
   12    10 S   HC   HB12    12     1.09811   110.47082    67.01505
   13    10 S   CT   _CG1    13     1.53015   112.62276  -170.51705
   14    13 S   HC   HG11    14     1.09576   110.69963   -66.18647
   15    13 S   HC   HG12    15     1.09669   109.73889    53.06410
   16    13 S   C    _CD1    16     1.51814   112.04238   173.54026
   17    16 S   O    _OE1    17     1.22755   123.19375    10.15679
   18    16 S   N    _N2_    18     1.38635   111.78950  -169.93026
   19    18 S   H    _HN2    19     1.01596   119.07635     1.32736
   20    18 S   CT1  _CA2    20     1.46257   123.39367   177.18979
   21    20 S   HC   _HA2    21     1.09744   109.21203     6.56286
   22    20 S   C    _C2_    22     1.53695   109.26866  -108.90399
   23    22 S   O    _O2_    23     1.23086   122.17328  -152.64499
   24    20 S   CT   _CB2    32     1.53439   111.40864   128.41078
   25    24 S   HC   HB21    33     1.09399   109.47521    56.07816
   26    24 S   HC   HB22    34     1.09408   109.88269   175.09164
   27    22 S   N    _N3_    24     1.38308   113.95798    35.05216
   28    27 S   H    _HN3    25     1.01541   119.57167    -3.83951
   29    24 S   S    _SG2    35     1.83162   111.00066   -65.34282
   30    27 S   CT   _CA3    26     1.45274   123.27009   177.00768
   31    30 S   HC   HA31    27     1.09550   107.57892   -62.92514
   32    30 S   HC   HA32    28     1.09555   107.91600    53.51426
   33    29 S   CT   _C23    36     1.88232   101.76136   169.52417
   34    30 S   CO3  _C3_    29     1.52970   114.05582   175.45533
   35    34 S   O2Z  _O31    30     1.26386   116.08708    -0.50397
   36    34 S   O2Z  _O32    31     1.26429   114.42594   179.52895
   37    33 S   CM   _C22    37     1.53474   106.64725   -64.31593
   38    37 S   HC   _H17    38     1.09498   112.56784   -43.61917
   39    33 S   CT   _C24    97     1.54280   106.85130    59.70476
   40    39 S   HC   _H18    98     1.09636   112.21995    48.04415
   41    39 S   HC   _H19    99     1.09651   111.12823   167.23990
   42    39 S   HC   _H20   100     1.09428   112.60194   -72.26742
   43    33 S   CT   _C25   101     1.58040   109.50818   178.29705
   44    43 S   HC   _H21   102     1.09804   106.49760   177.45894
   45    37 S   CMA  _C21    39     1.35864   132.70727   136.60350
   46    45 S   OM   _O37    40     1.26873   122.86162   179.61437
   47    43 S   CT   _C26   103     1.54068   115.24953    60.56722
   48    47 S   HC   _H22   104     1.09403   112.16402   -64.52347
   49    47 S   HC   _H23   105     1.09628   110.25687   176.07215
   50    47 S   HC   _H24   106     1.09362   111.95188    57.73642
   51    43 S   CT   _C27   107     1.53923   114.55897   -65.91355
   52    51 S   HC   _H25   108     1.09398   112.08107    62.15325
   53    51 S   HC   _H26   109     1.09371   111.71625   -59.87071
   54    51 S   HC   _H27   110     1.09614   110.44047  -178.15687
   55    45 S   OS   _O36    41     1.40931   112.96050     1.27779
   56    55 S   CT   _C19    42     1.43198   117.74677  -149.56933
   57    56 S   HC   _H9_    43     1.09132   111.05423   -39.14585
   58    56 S   CO4  _C20    44     1.52836   110.37282    79.50273
   59    58 S   O    _O34    45     1.22714   123.67456   -26.95316
   60    56 S   CT   _C18    69     1.52223   107.62781  -161.42838
   61    60 S   HC   _H8_    70     1.10515   105.43498   -54.85028
   62    58 S   OS   _O35    46     1.35815   115.82609   158.85302
   63    64 S   CT   _C13    71     1.52431   111.99351    42.37465
   64    62 S   CT   _C12    47     1.45796   123.28224   -37.62722
   65    64 S   HC   _H4_    48     1.09735   105.66336   -78.30212
   66    63 S   CT   _C28    72     1.53362   115.15854  -155.77853
   67    66 S   HC   _H28    73     1.08685   116.13527   -88.90911
   68    66 S   HC   _H29    74     1.09644   112.03525    34.86293
   69    64 S   CT   _C11    49     1.53082   105.81746   167.18671
   70    69 S   HC   _H15    50     1.09477   110.51647   167.70251
   71    69 S   HC   _H16    51     1.09664   107.15539    51.94860
   72   101 S   OS   _O38    75     1.46374   106.34207   -53.64715
   73    69 S   CT   _C10    52     1.54600   111.35475   -67.91687
   74    73 S   HC   _H3_    53     1.10138   106.43010    54.14530
   75    73 S   CM   _C5_    54     1.52977   115.50459   168.61090
   76    75 S   CM   _C6_    55     1.34721   121.46934   156.50162
   77    75 S   CT   _C4_    93     1.50767   117.60265   -26.91827
   78    77 S   HC   _H10    94     1.09502   110.22310   -54.22633
   79    77 S   HC   _H11    95     1.09444   113.10322  -173.71899
   80    77 S   HC   _H12    96     1.09465   110.47505    66.37467
   81    76 S   CO4  _C7_    56     1.49012   120.74542    -0.09691
   82    81 S   O    _O33    57     1.23144   119.38154   176.63082
   83    76 S   OH   _O43    91     1.38040   122.26923   178.81040
   84    83 S   HO   _H38    92     0.97450   106.89208  -179.00338
   85    81 S   CT   _C8_    58     1.51267   119.37934    -1.00600
   86    85 S   HC   _H13    59     1.09688   106.90644    95.50098
   87    85 S   HC   _H14    60     1.09637   107.34036  -148.95517
   88    73 S   CT   _C9_    61     1.56727   109.93973   -62.21200
   89    88 S   CT   _C14    62     1.59159   108.01138    58.95910
   90    89 S   HC   _H5_    63     1.09889   102.98163    61.89716
   91    88 S   CT   _C31    87     1.55281   110.41407   -66.88461
   92    91 S   HC   _H35    88     1.08861   113.07480    64.99675
   93    91 S   HC   _H36    89     1.09501   112.28889   -53.90221
   94    91 S   HC   _H37    90     1.09229   112.24451  -172.01266
   95    89 S   CT   _C15    64     1.56236   116.05675   174.40031
   96    95 S   HC   _H6_    65     1.09615   108.43945   -63.14194
   97    95 S   CT   _C16    66     1.54593   112.22705   176.23641
   98    97 S   HC   _H7_    67     1.09759   109.39622  -160.56732
   99    95 S   OH   _O42    85     1.42233   111.52368    54.00079
  100    99 S   HO   _H34    86     0.97230   108.00103  -176.04181
  101    97 S   CT   _C17    68     1.54415   111.82258   -40.12618
  102    97 S   OH   _O41    83     1.42280   108.67300    82.65456
  103   102 S   HO   _H33    84     0.97208   108.17407    63.39778
  104   101 S   CO4  _C29    76     1.52623   114.43292  -167.71324
  105   104 S   O    _O39    77     1.22631   124.07672   134.74135
  106   104 S   OS   _O40    78     1.36156   111.16580   -45.64557
  107   106 S   CT   _C30    79     1.42992   115.82508   178.50354
  108   107 S   HC   _H30    80     1.09326   108.09668   167.96802
  109   107 S   HC   _H31    81     1.09412   111.13289    48.84948
  110   107 S   HC   _H32    82     1.09376   109.62944   -73.56009
  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
  19   2   1   1  13   5   8   3   2   1  10   8   6   2   7   3
   2   1   3   2   1   1   9  14   7   9   3  21   8   9  21  16
   6  11   4   3  11   5   4   9  20   7  13  12   6   2   1   1
   9   5   2   1  10   4   3  10  13   5   4   2   1   1   9   6
   9   5   3   1   6   2   1   6   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    41    42    43    44    47    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    55    39    40    41    42    43    44    47    48    49    50    51    52    53    54  
   35    36  
   36  
    0  
   38    45    46    55    56    39    40    41    42    43    44    47    51  
   45    46    55    39    43  
   40    41    42    43    44    47    51    45  
   41    42    43  
   42    43  
   43  
   44    47    48    49    50    51    52    53    54    45  
   47    48    49    50    51    52    53    54  
   46    55    56    57    58    60  
   55    56  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51  
   51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    62   101    60    61    63  
   57    58    59    62    64    89    97   101    60    61    63    66    72   104  
   58    59    62   101    60    61    63  
   59    62    64    65    69   101    60    61    63  
   62    64    60  
   61    63    66    67    68    72   104   105   106   102    62    64    65    69    88    89    90    95    97    98   101  
   63    66    72   104    64    89    97   101  
   64    65    69    70    71    73    89    63    66  
   66    67    68    72   104    99    91    64    65    69    70    71    73    85    88    89    90    95    96    97   101  
   65    69    70    71    73    74    75    88    89    90    95   101    66    67    68    72  
   69    70    71    73    89    66  
   67    68    72   104    69    88    89    90    95    97   101  
   68    72    89   101  
   72    89   101  
   70    71    73    74    75    76    85    88    89    91    77  
   71    73    74    75    88  
   73    74    75    88  
  104   105   106   102    89    95    97    98   101  
   74    75    76    81    85    86    87    88    89    90    95    91    92    93    94    83    77    78    79    80  
   75    76    85    88    89    91    77  
   76    81    82    85    88    89    91    83    84    77    78    79    80  
   81    82    85    86    87    88    83    84    77    78    79    80  
   78    79    80    81    83    88  
   79    80  
   80  
    0  
   82    85    86    87    88    89    91    83    84  
   85    86    87    88    83  
   84    85  
    0  
   86    87    88    89    90    95    91    92    93    94  
   87    88    89    91  
   88    89    91  
   89    90    95    96    97    99    91    92    93    94  
   90    95    96    97    98   101   102    99   100    91    92    93    94  
   95    96    97    99    91  
   92    93    94    95  
   93    94  
   94  
    0  
   96    97    98   101   104   102   103    99   100  
   97    98   101   102    99   100  
   98   101   104   105   106   102   103    99   100  
  101   104   102   103    99  
  100   101   102  
    0  
  104   105   106   107   102   103  
  103   104  
    0  
  105   106   107   108   109   110  
  106   107  
  107   108   109   110  
  108   109   110  
  109   110  
  110  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5000   0.0660  -0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
  102   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  106   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  107   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  109   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  110   2.4200   0.0150   0.030000   1.3810   1.2100   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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    45   465.000  1.376
   45    46   745.000  1.250
   45    55   440.000  1.360
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   317.000  1.522
   56    60   268.000  1.529
   58    59   570.000  1.229
   58    62   214.000  1.327
   62    64   320.000  1.410
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    63   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   317.000  1.510
   73    88   268.000  1.529
   75    76   549.000  1.340
   75    77   317.000  1.510
   76    81   320.000  1.462
   76    83   510.000  1.338
   81    82   570.000  1.229
   81    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   268.000  1.529
   88    91   268.000  1.529
   89    90   340.000  1.090
   89    95   268.000  1.529
   89    63   268.000  1.529
   95    96   340.000  1.090
   95    97   268.000  1.529
   95    99   320.000  1.410
   97    98   340.000  1.090
   97   101   268.000  1.529
   97   102   320.000  1.410
  101    60   268.000  1.529
  101    72   320.000  1.410
  101   104   317.000  1.522
   60    61   340.000  1.090
   60    63   268.000  1.529
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   320.000  1.410
  104   105   570.000  1.229
  104   106   214.000  1.327
  106   107   320.000  1.410
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  102   103   553.000  0.945
   99   100   553.000  0.945
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   83    84   553.000  0.945
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    47    58.35000  112.70000
   33    43    51    58.35000  112.70000
   37    45    46    65.00000  137.10300
   37    45    55    80.00000  120.01400
   45    37    38    40.00000  120.50800
   45    55    56    90.00000  111.18400
   55    45    46    65.00000  121.00000
   55    56    57    35.00000  109.50000
   55    56    58    90.00000  108.74100
   55    56    60    50.00000  109.50000
   56    58    59    80.00000  120.40000
   56    58    62    81.00000  111.40000
   56    60   101    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    63    58.35000  112.70000
   58    56    57    35.00000  109.50000
   58    62    64    83.00000  116.90000
   62    58    59    83.00000  123.40000
   62    64    65    35.00000  109.50000
   62    64    69    50.00000  109.50000
   62    64    63    50.00000  109.50000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    73    58.35000  112.70000
   64    63    89    58.35000  112.70000
   64    63    60    58.35000  112.70000
   64    63    66    58.35000  112.70000
   69    64    65    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    75    70.00000  112.02700
   69    73    88    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    75    76    70.00000  124.00000
   73    75    77    65.00000  117.92700
   73    88    85    58.35000  112.70000
   73    88    89    58.35000  112.70000
   73    88    91    58.35000  112.70000
   75    73    74    35.00000  109.50000
   75    76    81    65.00000  118.96000
   75    76    83    80.00000  121.38400
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    35.00000  109.50000
   76    81    82    80.00000  123.72100
   76    81    85    65.00000  118.62400
   76    83    84    70.00000  107.45700
   81    85    86    35.00000  109.50000
   81    85    87    35.00000  109.50000
   81    85    88    63.00000  111.10000
   85    81    82    80.00000  120.40000
   85    88    89    58.35000  112.70000
   85    88    91    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    73    74    37.50000  110.70000
   88    73    75    70.00000  112.02700
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   88    89    90    37.50000  110.70000
   88    89    95    58.35000  112.70000
   88    89    63    58.35000  112.70000
   88    91    92    37.50000  110.70000
   88    91    93    37.50000  110.70000
   88    91    94    37.50000  110.70000
   89    95    96    37.50000  110.70000
   89    95    97    58.35000  112.70000
   89    95    99    50.00000  109.50000
   89    63    60    58.35000  112.70000
   89    63    66    58.35000  112.70000
   95    89    90    37.50000  110.70000
   95    97    98    37.50000  110.70000
   95    97   101    58.35000  112.70000
   95    97   102    50.00000  109.50000
   95    99   100    55.00000  108.50000
   97    95    96    37.50000  110.70000
   97   101    60    58.35000  112.70000
   97   101    72    50.00000  109.50000
   97   101   104    63.00000  111.10000
   97   102   103    55.00000  108.50000
  101    97    98    37.50000  110.70000
  101    60    61    37.50000  110.70000
  101    60    63    58.35000  112.70000
  101    72    66    60.00000  109.50000
  101   104   105    80.00000  120.40000
  101   104   106    81.00000  111.40000
   60    56    57    37.50000  110.70000
   60    56    58    63.00000  111.10000
   60    63    66    58.35000  112.70000
   63    64    65    37.50000  110.70000
   63    64    69    58.35000  112.70000
   63    89    90    37.50000  110.70000
   63    89    95    58.35000  112.70000
   63    60    61    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    72    50.00000  109.50000
   68    66    67    33.00000  107.80000
   72   101    60    50.00000  109.50000
   72    66    67    35.00000  109.50000
   72    66    68    35.00000  109.50000
  104   101    60    63.00000  111.10000
  104   101    72    90.00000  108.74100
  104   106   107    83.00000  116.90000
  106   104   105    83.00000  123.40000
  106   107   108    35.00000  109.50000
  106   107   109    35.00000  109.50000
  106   107   110    35.00000  109.50000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  102    97    98    35.00000  109.50000
  102    97   101    50.00000  109.50000
   99    95    96    35.00000  109.50000
   99    95    97    50.00000  109.50000
   91    88    89    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   83    76    81    85.00000  116.28000
   77    75    76    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   47    43    44    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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
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   97   101    60    63   0.56750  1.0 1.0
   97   101    60    63  -0.07550 -1.0 2.0
   97   101    60    63   0.20000  1.0 3.0
   97   101    72    66   0.06250  1.0 1.0
   97   101    72    66  -0.01100 -1.0 2.0
   97   101    72    66   0.28050  1.0 3.0
   97   101   104   105   0.30150 -1.0 2.0
   97   101   104   106   0.36750  1.0 3.0
   98    97   101    60   0.15000  1.0 3.0
   98    97   101    72   0.23400  1.0 3.0
   98    97   101   104  -0.11250  1.0 3.0
   98    97   102   103   0.19450  1.0 3.0
  101    97   102   103  -0.11600  1.0 1.0
  101    97   102   103  -0.09450 -1.0 2.0
  101    97   102   103   0.21250  1.0 3.0
  101    60    63    64   0.56750  1.0 1.0
  101    60    63    64  -0.07550 -1.0 2.0
  101    60    63    64   0.20000  1.0 3.0
  101    60   -63    89   0.56750  1.0 1.0
  101    60   -63    89  -0.07550 -1.0 2.0
  101    60   -63    89   0.20000  1.0 3.0
  101    60   -63    66   0.56750  1.0 1.0
  101    60   -63    66  -0.07550 -1.0 2.0
  101    60   -63    66   0.20000  1.0 3.0
  101   104   106   107   1.63150  1.0 1.0
  101   104   106   107   2.92000 -1.0 2.0
   60    56    58    59   0.30150 -1.0 2.0
   60    56   -58    62   0.36750  1.0 3.0
   60   101   -72    66   0.06250  1.0 1.0
   60   101   -72    66  -0.01100 -1.0 2.0
   60   101   -72    66   0.28050  1.0 3.0
   60   101   104   105   0.30150 -1.0 2.0
   60   101   104   106   0.36750  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63   -66    72   0.62750  1.0 1.0
   60    63   -66    72  -0.30950 -1.0 2.0
   60    63   -66    72   0.27300  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    89   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   63    64    69    70   0.15000  1.0 3.0
   63    64    69    71   0.15000  1.0 3.0
   63    64   -69    73   0.56750  1.0 1.0
   63    64   -69    73  -0.07550 -1.0 2.0
   63    64   -69    73   0.20000  1.0 3.0
   63    89    95    96   0.15000  1.0 3.0
   63    89   -95    97   0.56750  1.0 1.0
   63    89   -95    97  -0.07550 -1.0 2.0
   63    89   -95    97   0.20000  1.0 3.0
   63    89    95    99   0.86500  1.0 1.0
   63    89    95    99  -0.17500 -1.0 2.0
   63    89    95    99   0.20800  1.0 3.0
   63    66   -72   101   0.06250  1.0 1.0
   63    66   -72   101  -0.01100 -1.0 2.0
   63    66   -72   101   0.28050  1.0 3.0
   67    66    72   101   0.37050  1.0 3.0
   68    66    72   101   0.37050  1.0 3.0
   72   101    60    56   0.62750  1.0 1.0
   72   101    60    56  -0.30950 -1.0 2.0
   72   101    60    56   0.27300  1.0 3.0
   72   101    60    61   0.23400  1.0 3.0
   72   101   -60    63   0.62750  1.0 1.0
   72   101   -60    63  -0.30950 -1.0 2.0
   72   101   -60    63   0.27300  1.0 3.0
   72   101   104   105   0.30150 -1.0 2.0
   72   101   104   106   0.40000  1.0 3.0
  104   101    60    56  -0.95700  1.0 1.0
  104   101    60    56  -0.18200 -1.0 2.0
  104   101    60    56   0.29450  1.0 3.0
  104   101    60    61  -0.11250  1.0 3.0
  104   101    60    63  -0.95700  1.0 1.0
  104   101    60    63  -0.18200 -1.0 2.0
  104   101    60    63   0.29450  1.0 3.0
  104   101    72    66  -1.11000  1.0 1.0
  104   101    72    66   0.50250 -1.0 2.0
  104   101    72    66   0.47450  1.0 3.0
  104   106   107   108   0.08050  1.0 3.0
  104   106   107   109   0.08050  1.0 3.0
  104   106   107   110   0.08050  1.0 3.0
  105   104   106   107   3.00000 -1.0 2.0
  102    97   101    60   0.86500  1.0 1.0
  102    97   101    60  -0.17500 -1.0 2.0
  102    97   101    60   0.20800  1.0 3.0
  102    97   101    72   3.69350  1.0 1.0
  102    97   101    72  -1.82950 -1.0 2.0
  102    97   101   104  -0.09450  1.0 1.0
  102    97   101   104  -1.12950 -1.0 2.0
  102    97   101   104   0.54000  1.0 3.0
   99    95    97    98   0.23400  1.0 3.0
   99    95    97   101   0.86500  1.0 1.0
   99    95    97   101  -0.17500 -1.0 2.0
   99    95    97   101   0.20800  1.0 3.0
   99    95    97   102   3.75450  1.0 1.0
   91    88    89    90   0.15000  1.0 3.0
   91    88    89    95   0.56750  1.0 1.0
   91    88    89    95  -0.07550 -1.0 2.0
   91    88    89    95   0.20000  1.0 3.0
   91    88    89    63   0.56750  1.0 1.0
   91    88    89    63  -0.07550 -1.0 2.0
   91    88    89    63   0.20000  1.0 3.0
   83    76    81    82  -0.11900  1.0 1.0
   83    76    81    82   0.76850 -1.0 2.0
   83    76    81    82   0.14100  1.0 3.0
   83    76    81    85   0.32450 -1.0 2.0
   83    76    81    85   0.17400  1.0 3.0
   77    75    76    81   7.00000 -1.0 2.0
   77    75    76    83   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45   0.09850  1.0 1.0
   39    33    37    45   0.15250 -1.0 2.0
   39    33    37    45  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    47   0.56750  1.0 1.0
   39    33    43    47  -0.07550 -1.0 2.0
   39    33    43    47   0.20000  1.0 3.0
   39    33    43    51   0.56750  1.0 1.0
   39    33    43    51  -0.07550 -1.0 2.0
   39    33    43    51   0.20000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    45   0.09850  1.0 1.0
   43    33    37    45   0.15250 -1.0 2.0
   43    33    37    45  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   47    43    51    52   0.15000  1.0 3.0
   47    43    51    53   0.15000  1.0 3.0
   47    43    51    54   0.15000  1.0 3.0
   51    43    47    48   0.15000  1.0 3.0
   51    43    47    49   0.15000  1.0 3.0
   51    43    47    50   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   46    55    45    37  15.00000 -1.0 2.0
   56    62    58    59  10.50000 -1.0 2.0
   73    77    75    76   1.10000 -1.0 2.0
   81    83    76    75   1.10000 -1.0 2.0
   76    85    81    82  10.50000 -1.0 2.0
  101   106   104   105  10.50000 -1.0 2.0
END
