* LIGAND DATABASE FILE (OPLS2005)
*
001     114   118    224    350     658
    1     0 S   NP   _N1_     1    29.52961    99.77613   -19.01697
    2     1 S   H    _HN1     2     1.02835    67.92897   153.07629
    3     1 S   H    _H1_     3     1.02797    83.03238   -94.46117
    4     1 S   H    _H2_     4     1.02940    56.77861    22.80740
    5     1 S   CT   _CA1     5     1.50090   163.71500    64.44553
    6     5 S   HC   _HA1     6     1.09580   105.18699   141.66642
    7     5 S   CO3  _C1_     7     1.53599   112.35763    21.47036
    8     7 S   O2Z  _O11     8     1.26441   115.09699   -48.03993
    9     7 S   O2Z  _O12     9     1.26208   114.96648   131.25735
   10     5 S   CT   _CB1    10     1.53044   107.42230  -100.52812
   11    10 S   HC   HB11    11     1.09846   109.11393   -51.03294
   12    10 S   HC   HB12    12     1.09799   110.58055    65.41240
   13    10 S   CT   _CG1    13     1.53093   112.75048  -172.00969
   14    13 S   HC   HG11    14     1.09568   110.80959   -69.28943
   15    13 S   HC   HG12    15     1.09667   109.69199    49.99469
   16    13 S   C    _CD1    16     1.51839   111.71675   170.31391
   17    16 S   O    _OE1    17     1.22771   123.04221    14.38021
   18    16 S   N    _N2_    18     1.38658   112.00597  -165.57384
   19    18 S   H    _HN2    19     1.01575   119.03046    -0.30261
   20    18 S   CT1  _CA2    20     1.46176   123.08861   173.73784
   21    20 S   HC   _HA2    21     1.09749   109.28875    -0.00000
   22    20 S   C    _C2_    22     1.53588   108.23716  -115.02518
   23    22 S   O    _O2_    23     1.23038   122.37706  -147.40106
   24    20 S   CT   _CB2    32     1.53208   112.27152   122.20208
   25    24 S   HC   HB21    33     1.09489   110.82289    58.76941
   26    24 S   HC   HB22    34     1.09557   109.90204   176.54328
   27    22 S   N    _N3_    24     1.38358   113.57081    39.99415
   28    27 S   H    _HN3    25     1.01587   119.53869    -3.27309
   29    24 S   S    _SG2    35     1.82739   111.85026   -65.40791
   30    27 S   CT   _CA3    26     1.45276   123.29903   177.19802
   31    30 S   HC   HA31    27     1.09546   107.52081   -64.52954
   32    30 S   HC   HA32    28     1.09554   107.98985    51.93259
   33    29 S   CT   _C19    36     1.83953   100.20348   107.63364
   34    33 S   HC   _H3_    37     1.09682   106.62132   -41.37066
   35    30 S   CO3  _C3_    29     1.52981   114.01173   173.91318
   36    35 S   O2Z  _O31    30     1.26392   116.04803    -0.79130
   37    35 S   O2Z  _O32    31     1.26424   114.42003   179.27046
   38    33 S   CM   _C4_    38     1.51052   107.70787  -157.71439
   39    38 S   HC   _H40    39     1.08742   117.67500   -52.82660
   40    33 S   CT   _C11    94     1.53414   112.77811    76.66575
   41    40 S   HC   _H45    95     1.09694   111.01146   -62.70933
   42    40 S   HC   _H46    96     1.09834   109.96475  -178.23287
   43    38 S   CM   _C5_    40     1.34366   122.80709   125.07158
   44    43 S   HC   _H41    41     1.08934   117.90631     2.72735
   45    43 S   CT   _C20    42     1.51756   127.45922  -175.97742
   46    45 S   HC   _H61    43     1.09840   105.89689  -118.67034
   47    45 S   OS   _O36    44     1.43176   110.12889    -0.86479
   48    45 S   CT   _C32   107     1.54730   110.97671   122.93613
   49    48 S   HC   _H78   108     1.09434   109.62152   178.72605
   50    47 S   CT   _C15    45     1.42609   114.05576  -162.17773
   51    50 S   HC   _H53    46     1.09617   109.65724    54.33233
   52    50 S   HC   _H54    47     1.09304   110.41628   -64.76798
   53    48 S   CT   _C31   109     1.52687   113.81806   -60.41826
   54    53 S   HC   _H75   110     1.09453   111.59295    65.83580
   55    53 S   HC   _H76   111     1.09388   111.56330   -56.29310
   56    53 S   HC   _H77   112     1.09555   110.13025  -176.48999
   57    48 S   OH   _O40   113     1.42668   108.97645    62.66402
   58    57 S   HO   _H80   114     0.97531   108.13919  -175.91956
   59    50 S   CT   _C13    48     1.53007   109.89863   174.04527
   60    59 S   HC   _H49    49     1.09734   108.80823   175.62825
   61    59 S   HC   _H50    50     1.09154   107.74313   -69.89331
   62    59 S   CT   _C22    51     1.54675   115.01097    51.92527
   63    62 S   HC   _H63    52     1.09784   108.83301   -50.41855
   64    62 S   CT   _C21    53     1.54893   110.03806  -168.52407
   65    64 S   HC   _H62    54     1.09514   112.01977   -32.53933
   66    62 S   CT   _C29   103     1.53496   110.19670    66.74563
   67    66 S   HC   _H69   104     1.09516   111.10412    63.63495
   68    66 S   HC   _H70   105     1.09404   111.47573   -56.97712
   69    66 S   HC   _H71   106     1.09483   111.32447  -175.61331
   70    64 S   CO4  _C9_    55     1.52478   112.42685    90.52448
   71    70 S   O    _O33    56     1.22602   123.82347   106.48227
   72    64 S   OH   _O39   101     1.42807   111.23451  -151.39410
   73    72 S   HO   _H79   102     0.97343   107.75339   -62.89969
   74    70 S   OS   _O34    57     1.36507   111.06145   -74.56383
   75    74 S   CT   _C16    58     1.44057   115.12814  -175.91419
   76    75 S   HC   _H55    59     1.09644   107.45484    57.85822
   77    75 S   HC   _H56    60     1.09266   108.48734   -56.90030
   78    75 S   CT   _C25    61     1.57128   112.12172   179.45177
   79    78 S   CT   _C12    62     1.56196   108.34259   -47.25049
   80    79 S   HC   _H47    63     1.09325   110.49075  -178.29108
   81    79 S   HC   _H48    64     1.09519   111.55091    63.77759
   82    78 S   CT   _C26    81     1.61046   111.68677    76.72680
   83    79 S   CT   _C10    65     1.53515   113.37063   -59.15532
   84    83 S   HC   _H43    66     1.09712   108.02664  -166.29881
   85    83 S   HC   _H44    67     1.09639   110.20249    77.63069
   86   105 S   C3T  _C27    82     1.48259   108.80652   -61.67654
   87    82 S   CT   _C30    87     1.52803   113.69715   -60.72858
   88    87 S   HC   _H72    88     1.09329   111.82309   -57.06225
   89    87 S   HC   _H73    89     1.09482   112.59727  -176.32331
   90    87 S   HC   _H74    90     1.09211   110.73379    64.95472
   91    83 S   CM   _C7_    68     1.50526   113.21889   -44.80152
   92    86 S   C3T  _C17    83     1.51435   121.00497  -138.06374
   93    92 S   HC   _H57    84     1.08043   120.75479  -148.35523
   94    92 S   HC   _H58    85     1.08305   118.70203     1.75134
   95    91 S   CM   _C6_    69     1.34377   121.93003    13.80323
   96    95 S   HC   _H42    70     1.08771   119.47024  -178.74166
   97    86 S   O3T  _O37    86     1.41994   119.09738   -69.27518
   98    91 S   CT   _C28    97     1.50021   116.11995  -166.20728
   99    98 S   HC   _H66    98     1.09482   110.21927   -59.04323
  100    98 S   HC   _H67    99     1.09505   112.17862  -179.06581
  101    98 S   HC   _H68   100     1.09476   110.32160    60.81615
  102    78 S   CT   _C18    71     1.57494   108.18269  -163.61046
  103   102 S   HC   _H59    72     1.09732   109.04852   -42.47635
  104   102 S   OS   _O38    73     1.43756   113.60192  -162.68061
  105   104 S   CT   _C24    74     1.43013   115.98287    47.08948
  106   105 S   HC   _H65    75     1.09402   108.12523   173.96584
  107   105 S   CT   _C14    76     1.53577   112.41456    50.19544
  108   107 S   HC   _H51    77     1.09631   109.96757   152.24675
  109   107 S   HC   _H52    78     1.09439   111.99414    31.90244
  110   107 S   CT   _C23    79     1.55495   104.74801   -89.19833
  111   110 S   HC   _H64    80     1.09162   111.09409   124.14007
  112   110 S   OS   _O35    91     1.44460   109.15718  -116.49904
  113   112 S   CO4  _C8_    92     1.36210   117.01673   -81.75974
  114   113 S   O    _O30    93     1.22378   125.92566     4.10513
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  11   4   7   4   3   9   4  14   6  11   8
   6   9   5   4   5   3   2   1   1   1  12   5   4  12   8  11
   6   5   2   1   1   8   3   2   1   7  15   5   4  25  15   7
   6  23  10   4   3  18  11   3   2   1   9   8   3   2   9   4
   5   4   2   1   1   6   2   6   7   4   6   4   3   4   2   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43   113    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45   112   113   114    40    41    42  
   38    39    43   113    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    47   113    40    41    42    48  
   43    44    45    40  
   41    42    43   110   112   113   114  
   42   112   113   114  
  112   113   114  
   44    45    46    47    50    48    49    53    57  
   45    46    47    48  
   46    47    50    51    52    59    48    49    53    54    55    56    57    58  
   47    50    48    49    53    57  
   50    51    52    59    60    61    62    48    49    53    57  
   49    53    54    55    56    57    58    50  
   53    54    55    56    57    58  
   51    52    59    60    61    62    63    64    66  
   52    59    60    61    62  
   59    60    61    62  
   54    55    56    57    58  
   55    56    57  
   56    57  
   57  
   58  
    0  
   60    61    62    63    64    65    70    72    66    67    68    69  
   61    62    63    64    66  
   62    63    64    66  
   63    64    65    70    71    74    72    73    66    67    68    69  
   64    65    70    72    66    67    68    69  
   65    70    71    74    75    72    73    66    67    68    69  
   70    71    74    72    73    66  
   67    68    69    70    72  
   68    69  
   69  
    0  
   71    74    75    76    77    78    72    73  
   74    75    72  
   73    74  
    0  
   75    76    77    78    79   102    82  
   76    77    78    79    80    81    83    95   102   103   104   110    82    86    87  
   77    78    79   102    82  
   78    79   102    82  
   79    80    81    83    84    85    91    95    96   102   103   104   105   107   110   111    82    86    92    97    87    88    89    90   112  
   80    81    83    84    85    91    95   102   103   104   110    82    86    87    98  
   81    83    84    85    91   102    82  
   83    84    85    91   102    82  
   86    92    93    94    97    87    88    89    90   112   113    83    95   102   103   104   105   106   107   108   109   110   111  
   84    85    91    95    96   102    98    99   100   101  
   85    91    95    98  
   91    95    98  
   92    93    94    97    87    88    89    90   112   102   104   105   106   107   108   109   110   111  
   88    89    90   112    92    97   102   105   107   110   111  
   89    90   110  
   90   110  
  110  
   95    96   102   103   104    98    99   100   101  
   93    94    97   104   105   106   107   110  
   94    97   105  
   97   105  
   96   102   103   104   105    98    99   100   101  
  102   103   104    98  
  104   105   106   107   110  
   99   100   101   102  
  100   101  
  101  
    0  
  103   104   105   106   107   110  
  104   105  
  105   106   107   108   109   110  
  106   107   108   109   110   111   112  
  107   108   109   110  
  108   109   110   111   112   113  
  109   110   111   112  
  110   111   112  
  111   112   113   114  
  112   113  
  113   114  
  114  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   75   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   92   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  104   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  105   3.5000   0.0660   0.186500   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  112   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  113   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  114   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    45   317.000  1.510
   45    46   340.000  1.090
   45    47   320.000  1.410
   45    48   268.000  1.529
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   268.000  1.529
   64    65   340.000  1.090
   64    70   317.000  1.522
   64    72   320.000  1.410
   70    71   570.000  1.229
   70    74   214.000  1.327
   74    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   268.000  1.529
   78   102   268.000  1.529
   78    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    91   317.000  1.510
   91    95   549.000  1.340
   91    98   317.000  1.510
   95    96   340.000  1.080
   95   102   317.000  1.510
  102   103   340.000  1.090
  102   104   320.000  1.410
  104   105   320.000  1.410
  105   106   340.000  1.090
  105   107   268.000  1.529
  105    86   275.000  1.510
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   268.000  1.529
  110   111   340.000  1.090
  110    82   268.000  1.529
  110   112   320.000  1.410
   82    86   275.000  1.510
   82    87   268.000  1.529
   86    92   260.000  1.509
   86    97   335.000  1.432
   92    93   340.000  1.088
   92    94   340.000  1.088
   92    97   335.000  1.432
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
  112   113   214.000  1.327
  113   114   570.000  1.229
  113    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   72    73   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   48    49   340.000  1.090
   48    53   268.000  1.529
   48    57   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40   113    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    45    70.00000  124.00000
   43    38    39    35.00000  120.00000
   43    45    46    35.00000  109.50000
   43    45    47    85.00000  110.90400
   43    45    48    70.00000  112.02700
   45    43    44    35.00000  117.00000
   45    47    50    60.00000  109.50000
   45    48    49    37.50000  110.70000
   45    48    53    58.35000  112.70000
   45    48    57    50.00000  109.50000
   47    45    46    35.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    59    50.00000  109.50000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    62    58.35000  112.70000
   52    50    51    33.00000  107.80000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    58.35000  112.70000
   59    62    66    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    70    63.00000  111.10000
   62    64    72    50.00000  109.50000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   64    62    63    37.50000  110.70000
   64    70    71    80.00000  120.40000
   64    70    74    81.00000  111.40000
   64    72    73    55.00000  108.50000
   70    64    65    35.00000  109.50000
   70    74    75    83.00000  116.90000
   74    70    71    83.00000  123.40000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    50.00000  109.50000
   75    78    79    58.35000  112.70000
   75    78   102    58.35000  112.70000
   75    78    82    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    79    80    37.50000  110.70000
   78    79    81    37.50000  110.70000
   78    79    83    58.35000  112.70000
   78   102    95    70.00000  112.02700
   78   102   103    37.50000  110.70000
   78   102   104    50.00000  109.50000
   78    82   110    58.35000  112.70000
   78    82    86    70.00000  112.37300
   78    82    87    58.35000  112.70000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    91    70.00000  112.02700
   81    79    80    33.00000  107.80000
   83    79    80    37.50000  110.70000
   83    79    81    37.50000  110.70000
   83    91    95    70.00000  124.00000
   83    91    98    65.00000  117.92700
   85    83    84    33.00000  107.80000
   91    83    84    35.00000  109.50000
   91    83    85    35.00000  109.50000
   91    95    96    35.00000  120.00000
   91    95   102    70.00000  124.00000
   91    98    99    35.00000  109.50000
   91    98   100    35.00000  109.50000
   91    98   101    35.00000  109.50000
   95   102   103    35.00000  109.50000
   95   102   104    85.00000  110.90400
  102    78    79    58.35000  112.70000
  102    95    96    35.00000  117.00000
  102   104   105    60.00000  109.50000
  104   102   103    35.00000  109.50000
  104   105   106    35.00000  109.50000
  104   105   107    50.00000  109.50000
  104   105    86    50.00000  109.50000
  105   107   108    37.50000  110.70000
  105   107   109    37.50000  110.70000
  105   107   110    58.35000  112.70000
  105    86    82    58.35000  112.70000
  105    86    92    60.00000  120.94000
  105    86    97    80.00000  116.47100
  107   105   106    37.50000  110.70000
  107   110   111    37.50000  110.70000
  107   110    82    58.35000  112.70000
  107   110   112    50.00000  109.50000
  109   107   108    33.00000  107.80000
  110   107   108    37.50000  110.70000
  110   107   109    37.50000  110.70000
  110    82    86    70.00000  112.37300
  110    82    87    58.35000  112.70000
  110   112   113    83.00000  116.90000
   82    78    79    58.35000  112.70000
   82    78   102    58.35000  112.70000
   82   110   111    37.50000  110.70000
   82    86    92    60.00000  120.94000
   82    86    97    80.00000  116.47100
   82    87    88    37.50000  110.70000
   82    87    89    37.50000  110.70000
   82    87    90    37.50000  110.70000
   86   105   106    45.00000  109.38400
   86   105   107    70.00000  112.37300
   86    92    93    37.50000  117.20000
   86    92    94    37.50000  117.20000
   86    92    97    15.00000   60.43100
   86    97    92    15.00000   59.14900
   94    92    93    35.00000  114.30000
   97    86    92    15.00000   60.43100
   97    92    93    50.00000  114.27700
   97    92    94    50.00000  114.27700
   87    82    86    70.00000  112.37300
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
  112   110   111    35.00000  109.50000
  112   110    82    50.00000  109.50000
  112   113   114    83.00000  123.40000
  112   113    40    81.00000  111.40000
  113    40    41    35.00000  109.50000
  113    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40   113   114    80.00000  120.40000
   42    40    41    33.00000  107.80000
   98    91    95    70.00000  124.00000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   72    64    65    35.00000  109.50000
   72    64    70    90.00000  109.61100
   66    62    63    37.50000  110.70000
   66    62    64    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
   48    45    46    37.50000  110.70000
   48    45    47    50.00000  109.50000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   48    57    58    55.00000  108.50000
   53    48    49    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    48    49    35.00000  109.50000
   57    48    53    50.00000  109.50000
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
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  105   107   110   112  -0.30950 -1.0 2.0
  105   107   110   112   0.27300  1.0 3.0
  105    86    92    93   0.15000  1.0 3.0
  105    86    92    94   0.15000  1.0 3.0
  105    86   -92    97   0.02550  1.0 1.0
  105    86   -92    97  -0.02600 -1.0 2.0
  105    86   -92    97   1.20400  1.0 3.0
  105    86   -97    92   0.06250  1.0 1.0
  105    86   -97    92  -0.01100 -1.0 2.0
  105    86   -97    92   0.28050  1.0 3.0
  106   105   107   108   0.15000  1.0 3.0
  106   105   107   109   0.15000  1.0 3.0
  106   105   107   110   0.15000  1.0 3.0
  106   105    86    82   0.15000  1.0 3.0
  106   105    86    92   0.15000  1.0 3.0
  106   105    86    97   0.23400  1.0 3.0
  107   105   -86    82   0.56750  1.0 1.0
  107   105   -86    82  -0.07550 -1.0 2.0
  107   105   -86    82   0.20000  1.0 3.0
  107   105    86    92   0.07850  1.0 1.0
  107   105    86    92  -0.03950 -1.0 2.0
  107   105    86    92   0.67350  1.0 3.0
  107   105    86    97   0.02550  1.0 1.0
  107   105    86    97  -0.02600 -1.0 2.0
  107   105    86    97   1.20400  1.0 3.0
  107   110    82    78   0.56750  1.0 1.0
  107   110    82    78  -0.07550 -1.0 2.0
  107   110    82    78   0.20000  1.0 3.0
  107   110   -82    86   0.47050  1.0 1.0
  107   110   -82    86   0.03900 -1.0 2.0
  107   110   -82    86   0.20100  1.0 3.0
  107   110    82    87   0.56750  1.0 1.0
  107   110    82    87  -0.07550 -1.0 2.0
  107   110    82    87   0.20000  1.0 3.0
  107   110   112   113  -0.25900  1.0 1.0
  107   110   112   113  -0.47000 -1.0 2.0
  107   110   112   113   0.11750  1.0 3.0
  108   107   110   111   0.15000  1.0 3.0
  108   107   110    82   0.15000  1.0 3.0
  108   107   110   112   0.23400  1.0 3.0
  109   107   110   111   0.15000  1.0 3.0
  109   107   110    82   0.15000  1.0 3.0
  109   107   110   112   0.23400  1.0 3.0
  110    82   -86   105   0.56750  1.0 1.0
  110    82   -86   105  -0.07550 -1.0 2.0
  110    82   -86   105   0.20000  1.0 3.0
  110    82    86    92   0.07850  1.0 1.0
  110    82    86    92  -0.03950 -1.0 2.0
  110    82    86    92   0.67350  1.0 3.0
  110    82    86    97   0.02550  1.0 1.0
  110    82    86    97  -0.02600 -1.0 2.0
  110    82    86    97   1.20400  1.0 3.0
  110    82    87    88   0.15000  1.0 3.0
  110    82    87    89   0.15000  1.0 3.0
  110    82    87    90   0.15000  1.0 3.0
  110   112   113   114   3.00000 -1.0 2.0
  110   112   113    40   1.63150  1.0 1.0
  110   112   113    40   2.92000 -1.0 2.0
  111   110    82    78   0.15000  1.0 3.0
  111   110    82    86   0.15000  1.0 3.0
  111   110    82    87   0.15000  1.0 3.0
  111   110   112   113   0.08050  1.0 3.0
   82    78    79    80   0.15000  1.0 3.0
   82    78    79    81   0.15000  1.0 3.0
   82    78    79    83   0.56750  1.0 1.0
   82    78    79    83  -0.07550 -1.0 2.0
   82    78    79    83   0.20000  1.0 3.0
   82    78   102    95   0.34400  1.0 1.0
   82    78   102    95   0.09450 -1.0 2.0
   82    78   102    95   0.11100  1.0 3.0
   82    78   102   103   0.15000  1.0 3.0
   82    78  -102   104   0.62750  1.0 1.0
   82    78  -102   104  -0.30950 -1.0 2.0
   82    78  -102   104   0.27300  1.0 3.0
   82   110   112   113  -0.25900  1.0 1.0
   82   110   112   113  -0.47000 -1.0 2.0
   82   110   112   113   0.11750  1.0 3.0
   82    86    92    93   0.15000  1.0 3.0
   82    86    92    94   0.15000  1.0 3.0
   82    86   -92    97   0.02550  1.0 1.0
   82    86   -92    97  -0.02600 -1.0 2.0
   82    86   -92    97   1.20400  1.0 3.0
   82    86   -97    92   0.06250  1.0 1.0
   82    86   -97    92  -0.01100 -1.0 2.0
   82    86   -97    92   0.28050  1.0 3.0
   86   105   107   108   0.15000  1.0 3.0
   86   105   107   109   0.15000  1.0 3.0
   86   105  -107   110   0.47050  1.0 1.0
   86   105  -107   110   0.03900 -1.0 2.0
   86   105  -107   110   0.20100  1.0 3.0
   86    82    87    88   0.15000  1.0 3.0
   86    82    87    89   0.15000  1.0 3.0
   86    82    87    90   0.15000  1.0 3.0
   93    92   -97    86   0.36800  1.0 3.0
   94    92   -97    86   0.36800  1.0 3.0
   97    86   -92    93   0.23400  1.0 3.0
   97    86   -92    94   0.23400  1.0 3.0
   87    82    86   105   0.56750  1.0 1.0
   87    82    86   105  -0.07550 -1.0 2.0
   87    82    86   105   0.20000  1.0 3.0
   87    82    86    92   0.07850  1.0 1.0
   87    82    86    92  -0.03950 -1.0 2.0
   87    82    86    92   0.67350  1.0 3.0
   87    82    86    97   0.02550  1.0 1.0
   87    82    86    97  -0.02600 -1.0 2.0
   87    82    86    97   1.20400  1.0 3.0
  112   110    82    78   0.62750  1.0 1.0
  112   110    82    78  -0.30950 -1.0 2.0
  112   110    82    78   0.27300  1.0 3.0
  112   110    82    86  -0.26800  1.0 1.0
  112   110    82    86   0.69150 -1.0 2.0
  112   110    82    86  -0.48750  1.0 3.0
  112   110    82    87   0.62750  1.0 1.0
  112   110    82    87  -0.30950 -1.0 2.0
  112   110    82    87   0.27300  1.0 3.0
  112   113    40    33   0.36750  1.0 3.0
  112   113    40    41   0.00000  1.0 1.0
  112   113    40    42   0.00000  1.0 1.0
  114   113    40    33   0.30150 -1.0 2.0
  114   113    40    41   0.00000  1.0 1.0
  114   113    40    42   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   98    91    95    96   7.00000 -1.0 2.0
   98    91    95   102   7.00000 -1.0 2.0
   72    64    70    71   0.30150 -1.0 2.0
   72    64    70    74   0.30750  1.0 1.0
   72    64    70    74   1.13850 -1.0 2.0
   72    64    70    74   0.38850  1.0 3.0
   66    62    64    65   0.15000  1.0 3.0
   66    62    64    70  -0.95700  1.0 1.0
   66    62    64    70  -0.18200 -1.0 2.0
   66    62    64    70   0.29450  1.0 3.0
   66    62    64    72   0.86500  1.0 1.0
   66    62    64    72  -0.17500 -1.0 2.0
   66    62    64    72   0.20800  1.0 3.0
   48    45    47    50   0.06250  1.0 1.0
   48    45    47    50  -0.01100 -1.0 2.0
   48    45    47    50   0.28050  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   49    48    57    58   0.19450  1.0 3.0
   53    48    57    58  -0.11600  1.0 1.0
   53    48    57    58  -0.09450 -1.0 2.0
   53    48    57    58   0.21250  1.0 3.0
   57    48    53    54   0.23400  1.0 3.0
   57    48    53    55   0.23400  1.0 3.0
   57    48    53    56   0.23400  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43   1.10000 -1.0 2.0
   45    44    43    38   1.10000 -1.0 2.0
   64    74    70    71  10.50000 -1.0 2.0
   83    98    91    95   1.10000 -1.0 2.0
  102    96    95    91   1.10000 -1.0 2.0
  112    40   113   114  10.50000 -1.0 2.0
END
