* LIGAND DATABASE FILE (OPLS2005)
*
001     115   118    207    327     620
    1     0 S   CO3  _C1_     1    30.03731    96.24503   -17.52263
    2     1 S   O2Z  _O11     8     1.25095    67.47007    48.61923
    3     1 S   O2Z  _O12     9     1.24883   119.55550   166.45519
    4     1 S   CT   _CA1    12     1.53908    83.13830   -76.08766
    5     4 S   HC   _HA1    28     1.05972   106.52371   -83.33133
    6     4 S   NP   _N1_     2     1.47350   109.34128    32.44770
    7     6 S   H    _HN1    23     1.02138   110.26798  -160.50768
    8     6 S   H    _H1_    24     1.02021   110.22353    79.53569
    9     6 S   H    _H2_    25     1.02065   110.26470   -40.47799
   10     4 S   CT   _CB1    15     1.54281   111.98219   155.95182
   11    10 S   HC   HB11    32     1.08929   109.26512  -167.06660
   12    10 S   HC   HB12    33     1.08772   109.34450   -50.33916
   13    10 S   CT   _CG1    18     1.53934   112.63786    71.55928
   14    13 S   HC   HG11    34     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    35     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_     4     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    26     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    13     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    29     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_     3     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_     5     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    19     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    21     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    22     1.08575   109.89770   179.12800
   27    22 S   N    _N3_     7     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    27     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    20     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    14     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    30     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    31     1.12301   109.23063   127.81991
   33    29 S   CT   _C29    64     1.83162    97.87605  -178.14291
   34    33 S   HC   _H3_   115     1.09567   104.19009    36.70929
   35    30 S   CO3  _C3_     6     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    10     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    11     1.25025   116.29664   179.33914
   38    33 S   CA   _C8_    43     1.51769   111.71147   -79.98298
   39    33 S   CM   _C13    48     1.51429   109.40340   153.94069
   40    39 S   HC   _H52    86     1.09247   115.35785    66.32263
   41    38 S   CA   _C31    37     1.39455   120.01686   114.19861
   42    38 S   CA   _C6_    41     1.39561   119.94030   -65.92039
   43    39 S   CMA  _C14    49     1.35600   127.01259  -113.77580
   44    43 S   OM   _O30    65     1.26917   125.70268     0.09279
   45    41 S   HA   _H47    81     1.08622   120.53279     0.00000
   46    42 S   HA   _H51    85     1.08708   120.13904     0.10468
   47    41 S   CA   _C4_    39     1.39547   119.98284   179.85329
   48    47 S   HA   _H49    83     1.08574   119.62217  -179.96574
   49    42 S   CA   _C12    47     1.39519   119.97914  -179.90109
   50    43 S   OS   _O42    77     1.42625   109.49260   179.69999
   51    47 S   CA   _C10    45     1.39561   119.97445     0.02798
   52    50 S   CT   _C16    51     1.42166   115.89204  -149.96270
   53    52 S   HC   _H54    88     1.09665   107.09172   -39.96870
   54    49 S   OH   _O36    71     1.36158   119.47913  -179.94405
   55    54 S   HO   _H76   109     0.97039   110.18814    -0.01978
   56    52 S   CT   _C18    53     1.53160   110.07672  -157.43072
   57    56 S   HC   _H56    90     1.09665   109.50454    62.35850
   58    52 S   CT   _C20    55     1.53061   110.97761    78.37656
   59    58 S   HC   _H58    92     1.09556   110.80687   -61.77181
   60    51 S   OH   _O34    69     1.36233   119.38940   179.98022
   61    60 S   HO   _H74   107     0.97049   110.23413    -0.02798
   62    56 S   CT   _C22    57     1.53603   109.82832  -175.59473
   63    62 S   HC   _H60    94     1.09804   109.43964   -64.10776
   64    58 S   CO   _C24    59     1.53001   109.56107   175.11958
   65    64 S   HC   _H62    96     1.09781   109.92216    65.20141
   66    56 S   OH   _O39    74     1.42796   109.39661   -54.32293
   67    66 S   HO   _H79   112     0.96836   106.46469   179.96044
   68    58 S   OS   _O43    78     1.42061   109.53235    55.21604
   69    68 S   CO   _C23    58     1.42540   111.40414  -119.80828
   70    69 S   HC   _H61    95     1.09644   107.60240    59.99789
   71    62 S   CT   _C27    62     1.52404   113.05886   175.30531
   72    71 S   HC   _H68   102     1.09045   110.03974    39.99608
   73    71 S   HC   _H69   103     1.09032   110.00653   -80.93234
   74    62 S   OS   _O3_    67     1.43493   110.60784    54.95324
   75    64 S   OS   _O44    79     1.42485   108.62446  -177.31956
   76    69 S   CT   _C19    54     1.53372   108.58936   179.31272
   77    76 S   HC   _H57    91     1.09527   109.44104   -60.10319
   78    75 S   CT   _C28    63     1.42080   111.39656  -159.96716
   79    78 S   HC   _H70   104     1.09465   107.80383    59.98960
   80    78 S   HC   _H71   105     1.09493   108.80431   -57.82830
   81    69 S   OS   _O1_    66     1.42824   110.57566   -59.13830
   82    71 S   OH   _O41    76     1.41675   108.61377   159.51814
   83    82 S   HO   _H81   114     0.97273   106.99786   179.96574
   84    76 S   CT   _C15    50     1.53083   111.19404   176.55298
   85    84 S   HC   _H53    87     1.11337   110.38718  -169.29544
   86    81 S   CT   _C21    56     1.43281   112.69835   177.48145
   87    86 S   HC   _H59    93     1.09540   109.44480   -59.87066
   88    78 S   CT   _C26    61     1.52621   109.70615   179.52194
   89    88 S   HC   _H66   100     1.09786   109.60442   -60.78069
   90    88 S   HC   _H67   101     1.09776   108.94336  -177.04561
   91    76 S   OH   _O40    75     1.42876   108.44779    56.75664
   92    91 S   HO   _H80   113     0.96936   106.37147  -178.77220
   93    88 S   CA   _C7_    42     1.50164   112.85805    61.65385
   94    86 S   CT   _C17    52     1.53384   110.00356    61.86401
   95    94 S   HC   _H55    89     1.09659   108.92574    64.34101
   96    86 S   CT   _C25    60     1.52583   107.43198  -176.42379
   97    96 S   HC   _H63    97     1.08938   109.86757   -62.22478
   98    96 S   HC   _H64    98     1.08928   109.90217   177.77965
   99    96 S   HC   _H65    99     1.08952   109.91042    57.75011
  100    84 S   OH   _O37    72     1.42702   109.64328    73.27319
  101   100 S   HO   _H77   110     0.96789   106.36821    57.68157
  102    93 S   CA   _C30    36     1.39488   120.01207    90.05762
  103   102 S   HA   _H46    80     1.08724   120.52275     0.01978
  104    93 S   CA   _C5_    40     1.39496   120.00344   -90.01441
  105   104 S   HA   _H50    84     1.08716   120.14007     0.06853
  106    94 S   OH   _O38    73     1.42201   110.14960  -177.63379
  107   106 S   HO   _H78   111     0.96999   106.74957  -176.43690
  108   102 S   CA   _C32    38     1.39417   120.03369   179.89913
  109   108 S   HA   _H48    82     1.08645   119.64110  -179.96574
  110   104 S   CA   _C11    46     1.39426   120.01666  -179.92598
  111   108 S   CA   _C9_    44     1.39496   119.98189     0.02798
  112   110 S   OH   _O35    70     1.36212   119.51240  -179.97202
  113   112 S   HO   _H75   108     0.97051   110.17292     0.03956
  114   111 S   OH   _O33    68     1.36284   119.43032  -180.00000
  115   114 S   HO   _H73   106     0.96962   110.19217    -0.02798
  12   5   4  12   8   7   3   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   7   3   8   8   6   2   3   3   6   3
   5  10   4  16   8   2   1  14   7  13   6   1   1  12   7  10
   4   3   1  10  13   6   5   4   3   3   7  12   7   8   5   4
  11   1   1  12   7  10   7   9   4   3   3   1   9   9   4   4
   2   1   1   2   1   8   4   7   3   1   1   6   3   5   4   2
   1   1   1
    6     2     3     4    10    13     7     8     9     5    11    12  
    3     4    10     5     6  
    4    10     5     6  
   10    16    13     7     8     9     5    11    12    14    15     6  
   11    12     6     7     8     9    10    13  
   10    13     7     8     9    11    12  
    8     9    10  
    9    10  
   10  
   16    17    13    11    12    14    15    18  
   12    14    15    13    16  
   14    15    13    16  
   19    14    15    16    17    18    20  
   15    16    17    18  
   16    17    18  
   17    24    19    21    18    20    22  
   19    18    20  
   23    27    20    24    29    25    26    19    21    22  
   21    20    22    24  
   30    24    29    25    26    28    21    33    22    23    27  
   22    23    24    25    26    27    29  
   23    35    27    30    24    29    25    26    28    31    32  
   27    30    24    28  
   29    25    26    38    39    33    34    27  
   26    33    29  
   33    29  
   36    37    30    28    31    32    35  
   31    32    30    35  
   41    42    38    39    43    33    40    34  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   44    50    45    46    40    34    38    39    41    42    43    47    49  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   51    49    39    43    54    45    48    46    40    41    42    47  
   43    52    44    50    40    41    42  
   43    44    50  
   47    42    51    49    60    45    48    46  
   51    49    60    54    45    46    55    47  
   52    56    58    44    50    53  
   50    52  
   48    47    51  
   49    51    54  
   51    49    60    54    48    61  
   49    51    60  
   60    54    61    55    51  
   68    53    57    59    52    56    58    62    64    66  
   60    54    61    55  
   56    58    62    69    64    71    74    66    68    75    53    57    59    63    65    67  
   57    59    56    58    62    64    66    68  
   55    60  
    0  
   58    62    64    71    74    66    82    68    57    59    63    72    73    67  
   63    67    58    62    66    71    74  
   62    69    64    78    81    74    66    68    75    59    70    65    76  
   65    64    68    69    74    75  
   61  
    0  
   64    71    74    66    82    75    63    65    72    73    67    83  
   72    73    64    66    71    74    82  
   88    71    78    74    68    75    65    79    80    69  
   68    74    75    78  
   67    71    74  
    0  
   75    77    70    69    74    76    81    84    86    91  
   96    81   100    91    85    77    87    70    92    76    84    86    94  
   76    77    81    84    86    91  
   74    82    72    73    83  
   73    83    74    82  
   83    74    82  
   82    75    78  
   89    90    79    80    78    88    93  
   86    81   100   106    91    85    95    77   101    92    84    94  
   92    81    84    85    91    94   100  
   89    90    79    80    88    93   102   104  
   80    88    89    90    93  
   88    89    90    93  
  106    91    95    87    97    98    99    84    86    94    96  
   83  
    0  
   94    86    96   100   106    91    85    95    87   101   107    92  
   95   101    86    91    94   100   106  
   96   100   106    95    87    97    98    99   107    94  
   97    98    99    94    95    96   106  
  103   105    89    90    93   102   104   108   110  
   90    93   102   104  
   93   102   104  
   92    94   100  
    0  
  111   110   112   103   109   105   102   104   108  
   96   100   106    95    97    98    99   101   107  
  107    96   100   106  
  106    97    98    99  
   98    99  
   99  
    0  
  106   101  
    0  
  108   104   111   110   114   103   109   105  
  109   104   108   111  
  111   110   114   112   105   113   108  
  110   111   112  
  107  
    0  
  111   110   114   112   109   115  
  110   111   114  
  114   112   115   113   111  
  114   112   115   113  
  113   114  
    0  
  115  
    0  
NBON
    1   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    2   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    3   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    4   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    5   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    6   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    7   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    8   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    9   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   94   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  101   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  102   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  103   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  104   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  105   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  106   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  108   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  109   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  110   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  111   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  112   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  113   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
  114   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  115   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   656.000  1.250
    1     3   656.000  1.250
    1     4   317.000  1.522
    6     4   367.000  1.471
    6     7   434.000  1.010
    6     8   434.000  1.010
    6     9   434.000  1.010
   22    23   570.000  1.229
   22    27   490.000  1.335
   22    20   317.000  1.522
   18    20   337.000  1.449
   18    16   490.000  1.335
   18    19   434.000  1.010
   35    36   656.000  1.250
   35    37   656.000  1.250
   35    30   317.000  1.522
   27    30   337.000  1.449
   27    28   434.000  1.010
    4    10   268.000  1.529
    4     5   340.000  1.090
   20    24   268.000  1.529
   20    21   340.000  1.090
   30    31   340.000  1.090
   30    32   340.000  1.090
   10    13   268.000  1.529
   10    11   340.000  1.090
   10    12   340.000  1.090
   16    17   570.000  1.229
   16    13   317.000  1.522
   13    14   340.000  1.090
   13    15   340.000  1.090
   24    29   222.000  1.810
   24    25   340.000  1.090
   24    26   340.000  1.090
   29    33   222.000  1.810
  102   108   469.000  1.400
  102    93   469.000  1.400
  102   103   367.000  1.080
   41    47   469.000  1.400
   41    38   469.000  1.400
   41    45   367.000  1.080
  108   111   469.000  1.400
  108   109   367.000  1.080
   47    51   469.000  1.400
   47    48   367.000  1.080
  104    93   469.000  1.400
  104   110   469.000  1.400
  104   105   367.000  1.080
   42    38   469.000  1.400
   42    49   469.000  1.400
   42    46   367.000  1.080
   93    88   317.000  1.510
   38    33   317.000  1.510
  111   110   469.000  1.400
  111   114   450.000  1.364
   51    49   469.000  1.400
   51    60   450.000  1.364
  110   112   450.000  1.364
   49    54   450.000  1.364
   39    43   465.000  1.376
   39    33   317.000  1.510
   39    40   340.000  1.080
   43    44   745.000  1.250
   43    50   440.000  1.360
   84    94   268.000  1.529
   84    76   268.000  1.529
   84   100   320.000  1.410
   84    85   340.000  1.090
   52    56   268.000  1.529
   52    58   268.000  1.529
   52    50   320.000  1.410
   52    53   340.000  1.090
   94    86   268.000  1.529
   94   106   320.000  1.410
   94    95   340.000  1.090
   56    62   268.000  1.529
   56    66   320.000  1.410
   56    57   340.000  1.090
   76    69   250.000  1.527
   76    91   320.000  1.410
   76    77   340.000  1.090
   58    64   250.000  1.527
   58    68   320.000  1.410
   58    59   340.000  1.090
   86    96   268.000  1.529
   86    81   320.000  1.410
   86    87   340.000  1.090
   62    71   268.000  1.529
   62    74   320.000  1.410
   62    63   340.000  1.090
   69    81   320.000  1.380
   69    68   320.000  1.380
   69    70   340.000  1.090
   64    74   320.000  1.380
   64    75   320.000  1.380
   64    65   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   88    78   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   71    82   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   78    75   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   33    34   340.000  1.090
  114   115   553.000  0.945
   60    61   553.000  0.945
  112   113   553.000  0.945
   54    55   553.000  0.945
  100   101   553.000  0.945
  106   107   553.000  0.945
   66    67   553.000  0.945
   91    92   553.000  0.945
   82    83   553.000  0.945
THET
    1     4     6    80.00000  109.26000
    1     4    10    70.00000  109.69300
    1     4     5    35.00000  109.50000
    6     4    10    80.00000  111.20000
    6     4     5    35.00000  109.50000
   22    27    30    50.00000  121.90000
   22    27    28    35.00000  119.80000
   22    20    18    63.00000  110.10000
   22    20    24    63.00000  111.10000
   22    20    21    35.00000  109.50000
   18    20    24    80.00000  109.70000
   18    20    21    35.00000  109.50000
   18    16    17    80.00000  122.90000
   18    16    13    70.00000  116.60000
   35    30    27    63.00000  110.10000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
    3     1     2    80.00000  126.00000
   37    35    36    80.00000  126.00000
    4     1     2    70.00000  117.00000
    4     1     3    70.00000  117.00000
    4    10    13    58.35000  112.70000
    4    10    11    37.50000  110.70000
    4    10    12    37.50000  110.70000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    29    75.00000  108.68000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   10    13    16    63.00000  111.10000
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   16    18    20    50.00000  121.90000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   13    16    17    80.00000  120.40000
   24    29    33    62.00000   98.90000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   29    33    34    35.00000  109.50000
   25    24    29    35.00000  109.50000
   26    24    29    35.00000  109.50000
   26    24    25    33.00000  107.80000
    7     6     4    35.00000  109.50000
    8     6     4    35.00000  109.50000
    8     6     7    35.00000  109.50000
    9     6     4    35.00000  109.50000
    9     6     7    35.00000  109.50000
    9     6     8    35.00000  109.50000
   19    18    20    38.00000  118.40000
   19    18    16    35.00000  119.80000
   28    27    30    38.00000  118.40000
    5     4    10    37.50000  110.70000
   21    20    24    37.50000  110.70000
   32    30    31    33.00000  107.80000
   11    10    13    37.50000  110.70000
   12    10    13    37.50000  110.70000
   12    10    11    33.00000  107.80000
   15    13    14    33.00000  107.80000
  102   108   111    63.00000  120.00000
  102   108   109    35.00000  120.00000
  102    93   104    63.00000  120.00000
  102    93    88    70.00000  120.00000
   41    47    51    63.00000  120.00000
   41    47    48    35.00000  120.00000
   41    38    42    63.00000  120.00000
   41    38    33    70.00000  120.00000
  108   111   110    63.00000  120.00000
  108   111   114    70.00000  120.00000
   47    51    49    63.00000  120.00000
   47    51    60    70.00000  120.00000
  104    93    88    70.00000  120.00000
  104   110   111    63.00000  120.00000
  104   110   112    70.00000  120.00000
   42    38    33    70.00000  120.00000
   42    49    51    63.00000  120.00000
   42    49    54    70.00000  120.00000
   93   102   108    63.00000  120.00000
   93    88    78    70.00000  112.17500
   93    88    89    35.00000  109.50000
   93    88    90    35.00000  109.50000
   38    41    47    63.00000  120.00000
   38    33    39    70.00000  112.99600
   38    33    34    35.00000  109.50000
  111   110   112    70.00000  120.00000
  111   114   115    35.00000  113.00000
   51    49    54    70.00000  120.00000
   51    60    61    35.00000  113.00000
  110   104    93    63.00000  120.00000
  110   112   113    35.00000  113.00000
   49    42    38    63.00000  120.00000
   49    54    55    35.00000  113.00000
   39    43    44    65.00000  137.10300
   39    43    50    80.00000  120.01400
   39    33    34    35.00000  109.50000
   43    50    52    90.00000  111.18400
   84    94    86    58.35000  112.70000
   84    94   106    50.00000  109.50000
   84    94    95    37.50000  110.70000
   84    76    69    75.00000  109.43000
   84    76    91    50.00000  109.50000
   84    76    77    37.50000  110.70000
   84   100   101    55.00000  108.50000
   52    56    62    58.35000  112.70000
   52    56    66    50.00000  109.50000
   52    56    57    37.50000  110.70000
   52    58    64    75.00000  109.43000
   52    58    68    50.00000  109.50000
   52    58    59    37.50000  110.70000
   94    86    96    58.35000  112.70000
   94    86    81    50.00000  109.50000
   94    86    87    37.50000  110.70000
   94   106   107    55.00000  108.50000
   56    62    71    58.35000  112.70000
   56    62    74    50.00000  109.50000
   56    62    63    37.50000  110.70000
   56    66    67    55.00000  108.50000
   76    84    94    58.35000  112.70000
   76    69    81    90.00000  108.56700
   76    69    68    90.00000  108.56700
   76    69    70    45.00000  112.01100
   76    91    92    55.00000  108.50000
   58    52    56    58.35000  112.70000
   58    64    74    90.00000  108.56700
   58    64    75    90.00000  108.56700
   58    64    65    45.00000  112.01100
   58    68    69    60.00000  109.50000
   86    96    97    37.50000  110.70000
   86    96    98    37.50000  110.70000
   86    96    99    37.50000  110.70000
   86    81    69    60.00000  109.50000
   62    71    82    50.00000  109.50000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    74    64    60.00000  109.50000
   64    75    78    60.00000  109.50000
   88    78    75    50.00000  109.50000
   88    78    79    37.50000  110.70000
   88    78    80    37.50000  110.70000
   71    82    83    55.00000  108.50000
   33    39    43    70.00000  124.00000
   81    86    96    50.00000  109.50000
   74    62    71    50.00000  109.50000
  114   111   110    70.00000  120.00000
   60    51    49    70.00000  120.00000
  100    84    94    50.00000  109.50000
  100    84    76    50.00000  109.50000
  106    94    86    50.00000  109.50000
   66    56    62    50.00000  109.50000
   91    76    69    90.00000  111.58700
   50    43    44    65.00000  121.00000
   50    52    56    50.00000  109.50000
   50    52    58    50.00000  109.50000
   68    58    64    90.00000  109.38000
   68    69    81    92.60000  111.55000
   75    64    74    92.60000  111.55000
  103   102   108    35.00000  120.00000
  103   102    93    35.00000  120.00000
   45    41    47    35.00000  120.00000
   45    41    38    35.00000  120.00000
  109   108   111    35.00000  120.00000
   48    47    51    35.00000  120.00000
  105   104    93    35.00000  120.00000
  105   104   110    35.00000  120.00000
   46    42    38    35.00000  120.00000
   46    42    49    35.00000  120.00000
   40    39    43    40.00000  120.50800
   40    39    33    35.00000  117.00000
   85    84    94    37.50000  110.70000
   85    84    76    37.50000  110.70000
   85    84   100    35.00000  109.50000
   53    52    56    37.50000  110.70000
   53    52    58    37.50000  110.70000
   53    52    50    35.00000  109.50000
   95    94    86    37.50000  110.70000
   95    94   106    35.00000  109.50000
   57    56    62    37.50000  110.70000
   57    56    66    35.00000  109.50000
   77    76    69    45.00000  108.72000
   77    76    91    35.00000  109.50000
   59    58    64    45.00000  108.72000
   59    58    68    35.00000  109.50000
   87    86    96    37.50000  110.70000
   87    86    81    35.00000  109.50000
   63    62    71    37.50000  110.70000
   63    62    74    35.00000  109.50000
   70    69    81    35.00000  109.50000
   70    69    68    35.00000  109.50000
   65    64    74    35.00000  109.50000
   65    64    75    35.00000  109.50000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   89    88    78    37.50000  110.70000
   90    88    78    37.50000  110.70000
   90    88    89    33.00000  107.80000
   72    71    82    35.00000  109.50000
   73    71    82    35.00000  109.50000
   73    71    72    33.00000  107.80000
   79    78    75    35.00000  109.50000
   80    78    75    35.00000  109.50000
   80    78    79    33.00000  107.80000
PHI
    1     4    10    13  -1.63150  1.0 1.0
    1     4    10    13  -0.43550 -1.0 2.0
    1     4    10    13   0.24500  1.0 3.0
    1     4    10    11  -0.11250  1.0 3.0
    1     4    10    12  -0.11250  1.0 3.0
    6     4    10    13   1.36600  1.0 1.0
    6     4    10    13  -0.11450 -1.0 2.0
    6     4    10    13   0.24250  1.0 3.0
    6     4    10    11   0.19200  1.0 3.0
    6     4    10    12   0.19200  1.0 3.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    16    13    10   1.39750  1.0 1.0
   18    16    13    10  -0.07950 -1.0 2.0
   18    16    13    10  -0.18750  1.0 3.0
   18    16    13    14   0.00000  1.0 1.0
   18    16    13    15   0.00000  1.0 1.0
   23    22    27    30   3.04450 -1.0 2.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    20    18   0.00000  1.0 1.0
   23    22    20    24   0.00000  1.0 1.0
   23    22    20    21   0.00000  1.0 1.0
   27    22    20    18   0.37150  1.0 1.0
   27    22    20    18   1.25400 -1.0 2.0
   27    22    20    18  -0.40250  1.0 3.0
   27    22    20    24   0.93250  1.0 1.0
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   85    84    76    91   0.23400  1.0 3.0
   85    84    76    77   0.15000  1.0 3.0
   85    84   100   101   0.19450  1.0 3.0
   53    52    56    62   0.15000  1.0 3.0
   53    52    56    66   0.23400  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    58    64   0.15000  1.0 3.0
   53    52    58    68   0.23400  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    50    43   0.08050  1.0 3.0
   95    94    86    96   0.15000  1.0 3.0
   95    94    86    81   0.23400  1.0 3.0
   95    94    86    87   0.15000  1.0 3.0
   95    94   106   107   0.19450  1.0 3.0
   57    56    62    71   0.15000  1.0 3.0
   57    56    62    74   0.23400  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    66    67   0.19450  1.0 3.0
   77    76    69    81   0.23400  1.0 3.0
   77    76    69    68   0.23400  1.0 3.0
   77    76    69    70   0.15000  1.0 3.0
   77    76    91    92   0.19450  1.0 3.0
   59    58    64    74   0.23400  1.0 3.0
   59    58    64    75   0.23400  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    68    69   0.37050  1.0 3.0
   87    86    96    97   0.15000  1.0 3.0
   87    86    96    98   0.15000  1.0 3.0
   87    86    96    99   0.15000  1.0 3.0
   87    86    81    69   0.37050  1.0 3.0
   63    62    71    82   0.23400  1.0 3.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    73   0.15000  1.0 3.0
   63    62    74    64   0.37050  1.0 3.0
   70    69    81    86   0.37050  1.0 3.0
   70    69    68    58   0.37050  1.0 3.0
   65    64    74    62   0.37050  1.0 3.0
   65    64    75    78   0.37050  1.0 3.0
   89    88    78    75   0.23400  1.0 3.0
   89    88    78    79   0.15000  1.0 3.0
   89    88    78    80   0.15000  1.0 3.0
   90    88    78    75   0.23400  1.0 3.0
   90    88    78    79   0.15000  1.0 3.0
   90    88    78    80   0.15000  1.0 3.0
   72    71    82    83   0.19450  1.0 3.0
   73    71    82    83   0.19450  1.0 3.0
   79    78    75    64   0.37050  1.0 3.0
   80    78    75    64   0.37050  1.0 3.0
IPHI
    3     4     1     2  10.50000 -1.0 2.0
   27    20    22    23  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   18    13    16    17  10.50000 -1.0 2.0
   93   103   102   108   1.10000 -1.0 2.0
   38    45    41    47   1.10000 -1.0 2.0
  111   109   108   102   1.10000 -1.0 2.0
   51    48    47    41   1.10000 -1.0 2.0
  110   105   104    93   1.10000 -1.0 2.0
   49    46    42    38   1.10000 -1.0 2.0
  104    88    93   102   4.00000 -1.0 2.0
   42    33    38    41   4.00000 -1.0 2.0
  110   114   111   108   4.00000 -1.0 2.0
   49    60    51    47   4.00000 -1.0 2.0
  111   112   110   104   4.00000 -1.0 2.0
   51    54    49    42   4.00000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    50    43    39  15.00000 -1.0 2.0
END
