* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    217    357     663
    1     0 S   NP   _N1_     1    28.84181    94.22343   -18.87346
    2     1 S   H    _HN1     2     1.02958   102.41013    13.52089
    3     1 S   H    _H1_     3     1.02841    38.58830   115.49242
    4     1 S   H    _H2_     4     1.02783    73.40113   -92.10377
    5     1 S   CT   _CA1     5     1.50103   141.88645   162.92591
    6     5 S   HC   _HA1     6     1.09576   105.28264    29.99565
    7     5 S   CO3  _C1_     7     1.53831   112.12741   -90.24775
    8     7 S   O2Z  _O11     8     1.26357   115.07216   -50.31188
    9     7 S   O2Z  _O12     9     1.26224   114.86844   128.78184
   10     5 S   CT   _CB1    10     1.53077   107.40895   147.81009
   11    10 S   HC   HB11    11     1.09822   109.47509   -50.81253
   12    10 S   HC   HB12    12     1.09827   110.37511    65.73274
   13    10 S   CT   _CG1    13     1.53017   112.63580  -171.92815
   14    13 S   HC   HG11    14     1.09583   110.32609   -59.29626
   15    13 S   HC   HG12    15     1.09616   110.20327    59.92854
   16    13 S   C    _CD1    16     1.51794   112.01995  -179.75853
   17    16 S   O    _OE1    17     1.22747   123.16294   -11.14581
   18    16 S   N    _N2_    18     1.38570   111.74454   169.07508
   19    18 S   H    _HN2    19     1.01602   119.10902     1.94702
   20    18 S   CT1  _CA2    20     1.46332   123.37582  -175.47095
   21    20 S   HC   _HA2    21     1.09734   109.37802   -13.63930
   22    20 S   C    _C2_    22     1.53368   108.72647  -129.52865
   23    22 S   O    _O2_    23     1.23020   122.21837  -148.08554
   24    20 S   CT   _CB2    32     1.53728   110.94789   108.22143
   25    24 S   HC   HB21    33     1.09448   108.30177    54.80271
   26    24 S   HC   HB22    34     1.09322   110.42257   173.80150
   27    22 S   N    _N3_    24     1.38509   113.39986    39.58051
   28    27 S   H    _HN3    25     1.01523   118.87147    -0.85752
   29    24 S   S    _SG2    35     1.83150   110.71915   -65.71704
   30    27 S   CT   _CA3    26     1.45429   123.39576   174.83654
   31    30 S   HC   HA31    27     1.09530   109.15617    26.06034
   32    30 S   HC   HA32    28     1.09495   107.15147   143.06695
   33    29 S   CT   _C14    36     1.91496   104.25278   174.91215
   34    30 S   CO3  _C3_    29     1.52932   113.14151   -97.34551
   35    34 S   O2Z  _O31    30     1.26407   115.42613   -43.94200
   36    34 S   O2Z  _O32    31     1.26360   114.96463   136.98180
   37    33 S   CM   _C15    37     1.51089   108.76391   -28.19951
   38    37 S   HC   _H19    38     1.09055   115.17620    72.98481
   39    33 S   CT   _C13    55     1.58298   108.14053  -147.82545
   40    39 S   HC   _H5_    56     1.10046   107.92373   -37.32652
   41    37 S   CMA  _C16    39     1.35313   129.16545  -109.24255
   42    41 S   OM   _O34    40     1.26302   126.87507  -176.21002
   43    39 S   CT   _C12    57     1.57147   113.03480  -152.67529
   44    43 S   HC   _H17    58     1.09351   110.32192   -83.72302
   45    43 S   HC   _H18    59     1.09725   108.58382   161.08822
   46    41 S   CT   _C17    41     1.55432   120.46363     0.26907
   47    46 S   HC   _H6_    42     1.10075   104.77458   -98.07806
   48    43 S   CT   _C11    60     1.53104   118.17197    40.21317
   49    48 S   HC   _H15    61     1.09690   108.95820    73.53848
   50    48 S   HC   _H16    62     1.09374   107.72829  -172.56602
   51    46 S   CT   _C22    43     1.55694   116.00022   147.83121
   52    51 S   HC   _H24    44     1.09635   110.21616   163.12693
   53    51 S   HC   _H25    45     1.09546   112.32705    46.09016
   54    48 S   CT   _C10    63     1.53425   112.04544   -49.98217
   55    51 S   CO4  _C21    46     1.50929   112.65101   -77.23495
   56    55 S   O    _O33    47     1.23049   121.74832   134.26083
   57    54 S   CT   _C6_    64     1.57136   114.50083   167.27629
   58    57 S   HC   _H4_    65     1.09836   107.43671   -40.49484
   59    54 S   CT   _C24   102     1.54555   110.21120   -68.19134
   60    59 S   HC   _H29   103     1.09427   112.40737   176.75635
   61    59 S   HC   _H30   104     1.08996   113.00100    54.92589
   62    59 S   HC   _H31   105     1.09441   111.16873   -63.06952
   63    55 S   CT   _C20    48     1.50665   116.43785   -51.69082
   64    63 S   HC   _H22    49     1.09552   108.58250   168.77519
   65    63 S   HC   _H23    50     1.09298   109.17058   -74.44540
   66    57 S   CT   _C7_    66     1.55174   102.60740  -153.59175
   67    66 S   HC   _H11    67     1.09618   111.83549   -99.76760
   68    66 S   HC   _H12    68     1.09601   110.32757   140.65867
   69    57 S   CT   _C5_    75     1.55929   120.17386    81.41563
   70    69 S   HC   _H3_    76     1.09820   108.68432    57.74085
   71    63 S   CT   _C19    51     1.52477   109.62707    49.39667
   72    71 S   HC   _H20    52     1.08989   103.98741    68.43199
   73    71 S   HC   _H21    53     1.09659   109.21973  -176.93235
   74    66 S   CT   _C8_    69     1.53762   107.63817    19.92185
   75    74 S   HC   _H13    70     1.09516   109.32211   129.87577
   76    74 S   HC   _H14    71     1.09363   108.91074  -112.39415
   77    69 S   CT   _C4_    77     1.53535   112.13125   -59.59223
   78    77 S   HC   _H8_    78     1.09469   111.49949   -49.79835
   79    77 S   HC   _H9_    79     1.09223   111.13518    71.11372
   80    77 S   HC   _H10    80     1.09394   111.96987  -170.89612
   81    69 S   CT   _C25    81     1.56042   112.45354   174.44399
   82    81 S   HC   _H7_    82     1.09457   109.01466   -54.81096
   83    46 S   CT   _C18    54     1.57455   112.97077    19.05913
   84    33 S   CT   _C9_    72     1.57582   104.39758    95.32503
   85    81 S   CT   _C26    83     1.53961   114.92559    67.36703
   86    85 S   HC   _H33    84     1.09502   109.46329    63.65313
   87    85 S   HC   _H34    85     1.09296   109.61753   -54.53209
   88    81 S   OH   _O37   100     1.43155   109.08253  -168.91793
   89    88 S   HO   _H44   101     0.97162   108.41978   -81.23354
   90    84 S   OH   _O35    73     1.45959   106.77616    51.73487
   91    90 S   HO   _H32    74     0.97349   107.01635   -54.54620
   92    85 S   CT   _C27    86     1.53589   111.77619  -175.95925
   93    92 S   HC   _H35    87     1.09875   109.15219    54.91443
   94    92 S   HC   _H36    88     1.09836   109.55148   -59.43088
   95    83 S   CT   _C23   106     1.55694   110.22982  -165.05389
   96    95 S   HC   _H26   107     1.09476   111.91511    51.04196
   97    95 S   HC   _H27   108     1.09247   113.37279   -68.23410
   98    95 S   HC   _H28   109     1.09599   110.57760   171.81883
   99    92 S   CT   _C28    89     1.54224   115.51063   177.69200
  100    99 S   CT   _C29    90     1.53009   112.23440    61.90490
  101   100 S   HC   _H37    91     1.09586   110.75955    54.37750
  102   100 S   HC   _H38    92     1.09626   110.82246   172.13269
  103   100 S   HC   _H39    93     1.09412   112.14720   -67.14345
  104    99 S   CT   _C30    94     1.53035   112.25530   -63.38137
  105   104 S   HC   _H40    95     1.09586   110.76448   -54.19206
  106   104 S   HC   _H41    96     1.09629   110.80583  -171.92297
  107   104 S   HC   _H42    97     1.09400   112.21362    67.36654
  108    99 S   OH   _O36    98     1.43440   106.19936   179.29086
  109   108 S   HO   _H43    99     0.97248   108.08649  -179.98022
  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
  24   2   1   1  14   5  24   9  11   4  13   6   5  15   7  15
   5   4  10   5   4  19   8   4  23  10   8   3   2   1   7   5
   4  11   6   5  15   8   7   3   2   5   3   2   7   3   2   1
  10   6   5   2  11   6   5   2   1   1   1  13   5   4   3   2
   1   1  10   9   4   3   2   5   3   2   1   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    84    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    83    39    40    43    54    74    84    90  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    71    83    39    40    43    44    45    48    54    57    66    74    75    76    84    90    91    59    95  
   35    36  
   36  
    0  
   38    41    42    46    47    51    83    39    40    43    54    74    84    90  
   41    42    46    39    84  
   40    43    44    45    48    49    50    54    74    84    90    95    96    97    98    41    46    47    51    63    71    72    73    83  
   43    44    45    48    84    95    46    71    83  
   42    46    47    51    52    53    55    71    83    84    95  
   46    47    51    83  
   44    45    48    49    50    54    57    84    59    95    46    71    83  
   45    48    49    50    54    83  
   48    49    50    54    83  
   47    51    52    53    55    56    63    71    72    73    83    95    96    97    98  
   51    52    53    55    71    83    95  
   49    50    54    57    58    66    74    84    90    69    59    60    61    62    83  
   50    54    57    84    59  
   54    57    84    59  
   52    53    55    56    63    64    65    71    83    95  
   53    55    56    63    83  
   55    56    63    83  
   57    58    66    67    68    74    75    76    84    90    91    69    70    77    81    59    60    61    62  
   56    63    64    65    71    72    73    83  
   63    64    65    71  
   58    66    67    68    74    75    76    84    90    69    70    77    78    79    80    81    82    85    88    59    60    61    62  
   66    67    68    74    84    69    70    77    81    59  
   60    61    62    66    69    74    84    90  
   61    62    84  
   62    84  
   84  
   64    65    71    72    73    83    95  
   65    71    72    73    83  
   71    72    73    83  
   67    68    74    75    76    84    90    69    70    77    81  
   68    74    75    76    84    69  
   74    75    76    84    69  
   70    77    78    79    80    81    82    85    86    87    92    88    89    74    84  
   77    78    79    80    81    82    85    88  
   72    73    83    95    96    97    98  
   73    83    95  
   83    95  
   75    76    84    90    91  
   76    84    90  
   84    90  
   78    79    80    81    82    85    88  
   79    80    81  
   80    81  
   81  
   82    85    86    87    92    93    94    99    88    89  
   85    86    87    92    88    89  
   84    95    96    97    98  
   90    91  
   86    87    92    93    94    99   100   104   108    88    89  
   87    92    93    94    99    88  
   92    93    94    99    88  
   89    92  
    0  
   91  
    0  
   93    94    99   100   101   102   103   104   105   106   107   108   109  
   94    99   100   104   108  
   99   100   104   108  
   96    97    98  
   97    98  
   98  
    0  
  100   101   102   103   104   105   106   107   108   109  
  101   102   103   104   105   106   107   108   109  
  102   103   104   108  
  103   104   108  
  104   108  
  105   106   107   108   109  
  106   107   108  
  107   108  
  108  
  109  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  109   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    84   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    83   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   317.000  1.522
   55    56   570.000  1.229
   55    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    83   268.000  1.529
   83    39   268.000  1.529
   83    95   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    57   268.000  1.529
   54    84   268.000  1.529
   54    59   268.000  1.529
   57    58   340.000  1.090
   57    66   268.000  1.529
   57    69   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    84   268.000  1.529
   84    90   320.000  1.410
   90    91   553.000  0.945
   69    70   340.000  1.090
   69    77   268.000  1.529
   69    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    85   268.000  1.529
   81    88   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    99   268.000  1.529
   99   100   268.000  1.529
   99   104   268.000  1.529
   99   108   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   553.000  0.945
   88    89   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   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    84    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    39    83    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    84    54    58.35000  112.70000
   33    84    74    58.35000  112.70000
   33    84    90    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    46    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    46    47    45.00000  110.52000
   41    46    51    70.00000  112.02700
   41    46    83    70.00000  112.02700
   46    41    42    85.00000  112.85300
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    55    63.00000  111.10000
   46    83    71    58.35000  112.70000
   46    83    39    58.35000  112.70000
   46    83    95    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    55    56    80.00000  120.40000
   51    55    63    70.00000  116.00000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    71    63.00000  111.10000
   63    55    56    80.00000  120.40000
   63    71    72    37.50000  110.70000
   63    71    73    37.50000  110.70000
   63    71    83    58.35000  112.70000
   65    63    64    33.00000  107.80000
   71    63    64    37.50000  110.70000
   71    63    65    37.50000  110.70000
   71    83    39    58.35000  112.70000
   71    83    95    58.35000  112.70000
   73    71    72    33.00000  107.80000
   83    46    47    37.50000  110.70000
   83    46    51    58.35000  112.70000
   83    71    72    37.50000  110.70000
   83    71    73    37.50000  110.70000
   83    39    40    37.50000  110.70000
   83    39    43    58.35000  112.70000
   83    95    96    37.50000  110.70000
   83    95    97    37.50000  110.70000
   83    95    98    37.50000  110.70000
   39    33    37    70.00000  112.02700
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    54    57    58.35000  112.70000
   48    54    84    58.35000  112.70000
   48    54    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    66    58.35000  112.70000
   54    57    69    58.35000  112.70000
   54    84    74    58.35000  112.70000
   54    84    90    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    74    58.35000  112.70000
   57    69    70    37.50000  110.70000
   57    69    77    58.35000  112.70000
   57    69    81    58.35000  112.70000
   66    57    58    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    84    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    84    90    50.00000  109.50000
   76    74    75    33.00000  107.80000
   84    33    37    70.00000  112.02700
   84    33    39    58.35000  112.70000
   84    54    57    58.35000  112.70000
   84    74    75    37.50000  110.70000
   84    74    76    37.50000  110.70000
   84    90    91    55.00000  108.50000
   69    57    58    37.50000  110.70000
   69    57    66    58.35000  112.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    80    37.50000  110.70000
   69    81    82    37.50000  110.70000
   69    81    85    58.35000  112.70000
   69    81    88    50.00000  109.50000
   77    69    70    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    69    70    37.50000  110.70000
   81    69    77    58.35000  112.70000
   81    85    86    37.50000  110.70000
   81    85    87    37.50000  110.70000
   81    85    92    58.35000  112.70000
   81    88    89    55.00000  108.50000
   85    81    82    37.50000  110.70000
   85    92    93    37.50000  110.70000
   85    92    94    37.50000  110.70000
   85    92    99    58.35000  112.70000
   87    85    86    33.00000  107.80000
   92    85    86    37.50000  110.70000
   92    85    87    37.50000  110.70000
   92    99   100    58.35000  112.70000
   92    99   104    58.35000  112.70000
   92    99   108    50.00000  109.50000
   94    92    93    33.00000  107.80000
   99    92    93    37.50000  110.70000
   99    92    94    37.50000  110.70000
   99   100   101    37.50000  110.70000
   99   100   102    37.50000  110.70000
   99   100   103    37.50000  110.70000
   99   104   105    37.50000  110.70000
   99   104   106    37.50000  110.70000
   99   104   107    37.50000  110.70000
   99   108   109    55.00000  108.50000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    99   100    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108    99   100    50.00000  109.50000
  108    99   104    50.00000  109.50000
   88    81    82    35.00000  109.50000
   88    81    85    50.00000  109.50000
   59    54    57    58.35000  112.70000
   59    54    84    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   95    83    39    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    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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   68    66    74    76   0.15000  1.0 3.0
   68    66    74    84   0.15000  1.0 3.0
   74    84    90    91  -0.11600  1.0 1.0
   74    84    90    91  -0.09450 -1.0 2.0
   74    84    90    91   0.21250  1.0 3.0
   75    74    84    33   0.15000  1.0 3.0
   75    74    84    54   0.15000  1.0 3.0
   75    74    84    90   0.23400  1.0 3.0
   76    74    84    33   0.15000  1.0 3.0
   76    74    84    54   0.15000  1.0 3.0
   76    74    84    90   0.23400  1.0 3.0
   84    33    37    38   0.00000  1.0 1.0
   84    33    37    41   0.09850  1.0 1.0
   84    33    37    41   0.15250 -1.0 2.0
   84    33    37    41  -0.50650  1.0 3.0
   84    33    39    83   0.56750  1.0 1.0
   84    33    39    83  -0.07550 -1.0 2.0
   84    33    39    83   0.20000  1.0 3.0
   84    33    39    40   0.15000  1.0 3.0
   84    33   -39    43   0.56750  1.0 1.0
   84    33   -39    43  -0.07550 -1.0 2.0
   84    33   -39    43   0.20000  1.0 3.0
   84    54    57    58   0.15000  1.0 3.0
   84    54   -57    66   0.56750  1.0 1.0
   84    54   -57    66  -0.07550 -1.0 2.0
   84    54   -57    66   0.20000  1.0 3.0
   84    54    57    69   0.56750  1.0 1.0
   84    54    57    69  -0.07550 -1.0 2.0
   84    54    57    69   0.20000  1.0 3.0
   84    54    59    60   0.15000  1.0 3.0
   84    54    59    61   0.15000  1.0 3.0
   84    54    59    62   0.15000  1.0 3.0
   69    57    66    67   0.15000  1.0 3.0
   69    57    66    68   0.15000  1.0 3.0
   69    57    66    74   0.56750  1.0 1.0
   69    57    66    74  -0.07550 -1.0 2.0
   69    57    66    74   0.20000  1.0 3.0
   69    81    85    86   0.15000  1.0 3.0
   69    81    85    87   0.15000  1.0 3.0
   69    81    85    92   0.56750  1.0 1.0
   69    81    85    92  -0.07550 -1.0 2.0
   69    81    85    92   0.20000  1.0 3.0
   69    81    88    89  -0.11600  1.0 1.0
   69    81    88    89  -0.09450 -1.0 2.0
   69    81    88    89   0.21250  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    79   0.15000  1.0 3.0
   70    69    77    80   0.15000  1.0 3.0
   70    69    81    82   0.15000  1.0 3.0
   70    69    81    85   0.15000  1.0 3.0
   70    69    81    88   0.23400  1.0 3.0
   77    69    81    82   0.15000  1.0 3.0
   77    69    81    85   0.56750  1.0 1.0
   77    69    81    85  -0.07550 -1.0 2.0
   77    69    81    85   0.20000  1.0 3.0
   77    69    81    88   0.86500  1.0 1.0
   77    69    81    88  -0.17500 -1.0 2.0
   77    69    81    88   0.20800  1.0 3.0
   81    69    77    78   0.15000  1.0 3.0
   81    69    77    79   0.15000  1.0 3.0
   81    69    77    80   0.15000  1.0 3.0
   81    85    92    93   0.15000  1.0 3.0
   81    85    92    94   0.15000  1.0 3.0
   81    85    92    99   0.56750  1.0 1.0
   81    85    92    99  -0.07550 -1.0 2.0
   81    85    92    99   0.20000  1.0 3.0
   82    81    85    86   0.15000  1.0 3.0
   82    81    85    87   0.15000  1.0 3.0
   82    81    85    92   0.15000  1.0 3.0
   82    81    88    89   0.19450  1.0 3.0
   85    81    88    89  -0.11600  1.0 1.0
   85    81    88    89  -0.09450 -1.0 2.0
   85    81    88    89   0.21250  1.0 3.0
   85    92    99   100   0.56750  1.0 1.0
   85    92    99   100  -0.07550 -1.0 2.0
   85    92    99   100   0.20000  1.0 3.0
   85    92    99   104   0.56750  1.0 1.0
   85    92    99   104  -0.07550 -1.0 2.0
   85    92    99   104   0.20000  1.0 3.0
   85    92    99   108   0.86500  1.0 1.0
   85    92    99   108  -0.17500 -1.0 2.0
   85    92    99   108   0.20800  1.0 3.0
   86    85    92    93   0.15000  1.0 3.0
   86    85    92    94   0.15000  1.0 3.0
   86    85    92    99   0.15000  1.0 3.0
   87    85    92    93   0.15000  1.0 3.0
   87    85    92    94   0.15000  1.0 3.0
   87    85    92    99   0.15000  1.0 3.0
   92    99   100   101   0.15000  1.0 3.0
   92    99   100   102   0.15000  1.0 3.0
   92    99   100   103   0.15000  1.0 3.0
   92    99   104   105   0.15000  1.0 3.0
   92    99   104   106   0.15000  1.0 3.0
   92    99   104   107   0.15000  1.0 3.0
   92    99   108   109  -0.11600  1.0 1.0
   92    99   108   109  -0.09450 -1.0 2.0
   92    99   108   109   0.21250  1.0 3.0
   93    92    99   100   0.15000  1.0 3.0
   93    92    99   104   0.15000  1.0 3.0
   93    92    99   108   0.23400  1.0 3.0
   94    92    99   100   0.15000  1.0 3.0
   94    92    99   104   0.15000  1.0 3.0
   94    92    99   108   0.23400  1.0 3.0
  100    99   104   105   0.15000  1.0 3.0
  100    99   104   106   0.15000  1.0 3.0
  100    99   104   107   0.15000  1.0 3.0
  100    99   108   109  -0.11600  1.0 1.0
  100    99   108   109  -0.09450 -1.0 2.0
  100    99   108   109   0.21250  1.0 3.0
  104    99   100   101   0.15000  1.0 3.0
  104    99   100   102   0.15000  1.0 3.0
  104    99   100   103   0.15000  1.0 3.0
  104    99   108   109  -0.11600  1.0 1.0
  104    99   108   109  -0.09450 -1.0 2.0
  104    99   108   109   0.21250  1.0 3.0
  108    99   100   101   0.23400  1.0 3.0
  108    99   100   102   0.23400  1.0 3.0
  108    99   100   103   0.23400  1.0 3.0
  108    99   104   105   0.23400  1.0 3.0
  108    99   104   106   0.23400  1.0 3.0
  108    99   104   107   0.23400  1.0 3.0
   88    81    85    86   0.23400  1.0 3.0
   88    81    85    87   0.23400  1.0 3.0
   88    81    85    92   0.86500  1.0 1.0
   88    81    85    92  -0.17500 -1.0 2.0
   88    81    85    92   0.20800  1.0 3.0
   59    54    57    58   0.15000  1.0 3.0
   59    54    57    66   0.56750  1.0 1.0
   59    54    57    66  -0.07550 -1.0 2.0
   59    54    57    66   0.20000  1.0 3.0
   59    54    57    69   0.56750  1.0 1.0
   59    54    57    69  -0.07550 -1.0 2.0
   59    54    57    69   0.20000  1.0 3.0
   59    54    84    33   0.56750  1.0 1.0
   59    54    84    33  -0.07550 -1.0 2.0
   59    54    84    33   0.20000  1.0 3.0
   59    54    84    74   0.56750  1.0 1.0
   59    54    84    74  -0.07550 -1.0 2.0
   59    54    84    74   0.20000  1.0 3.0
   59    54    84    90   0.86500  1.0 1.0
   59    54    84    90  -0.17500 -1.0 2.0
   59    54    84    90   0.20800  1.0 3.0
   95    83    39    33   0.56750  1.0 1.0
   95    83    39    33  -0.07550 -1.0 2.0
   95    83    39    33   0.20000  1.0 3.0
   95    83    39    40   0.15000  1.0 3.0
   95    83    39    43   0.56750  1.0 1.0
   95    83    39    43  -0.07550 -1.0 2.0
   95    83    39    43   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
   51    63    55    56  10.50000 -1.0 2.0
END
