* LIGAND DATABASE FILE (OPLS2005)
*
001     103   108    204    336     610
    1     0 S   NP   _N1_     1    28.90232    94.31575   -26.28907
    2     1 S   H    _HN1     2     1.02825    29.58600  -159.99958
    3     1 S   H    _H1_     3     1.02787   120.13594   -87.60823
    4     1 S   H    _H2_     4     1.02948    77.54321    16.59049
    5     1 S   CT   _CA1     5     1.50124   121.11702   123.05268
    6     5 S   HC   _HA1     6     1.09574   105.16877    90.18998
    7     5 S   CO3  _C1_     7     1.53770   112.48705   -30.00323
    8     7 S   O2Z  _O11     8     1.26373   114.99620   -41.78627
    9     7 S   O2Z  _O12     9     1.26239   114.93709   137.27647
   10     5 S   CT   _CB1    10     1.53069   107.40912  -151.84220
   11    10 S   HC   HB11    11     1.09837   109.31235   -49.62211
   12    10 S   HC   HB12    12     1.09811   110.47244    66.97069
   13    10 S   CT   _CG1    13     1.53003   112.64164  -170.59080
   14    13 S   HC   HG11    14     1.09578   110.68150   -67.16505
   15    13 S   HC   HG12    15     1.09673   109.73902    52.07931
   16    13 S   C    _CD1    16     1.51808   112.11765   172.51622
   17    16 S   O    _OE1    17     1.22740   123.25110     9.89885
   18    16 S   N    _N2_    18     1.38648   111.74162  -170.17989
   19    18 S   H    _HN2    19     1.01581   118.93242     1.28314
   20    18 S   CT1  _CA2    20     1.46220   123.37121   176.66111
   21    20 S   HC   _HA2    21     1.09740   109.38845     4.08284
   22    20 S   C    _C2_    22     1.53609   108.61104  -111.36427
   23    22 S   O    _O2_    23     1.23064   122.26391  -148.08692
   24    20 S   CT   _CB2    32     1.53499   111.57458   126.19917
   25    24 S   HC   HB21    33     1.09297   109.34926    56.62847
   26    24 S   HC   HB22    34     1.09383   109.48265   175.27304
   27    22 S   N    _N3_    24     1.38319   113.74276    39.36802
   28    27 S   H    _HN3    25     1.01572   119.59693    -3.23960
   29    24 S   S    _SG2    35     1.83023   110.91292   -65.31892
   30    27 S   CT   _CA3    26     1.45284   123.25789   177.18624
   31    30 S   HC   HA31    27     1.09547   107.51229   -64.72430
   32    30 S   HC   HA32    28     1.09555   107.99185    51.72713
   33    29 S   CT   _C7_    36     1.93311   102.72984   171.10583
   34    30 S   CO3  _C3_    29     1.52969   114.04931   173.72899
   35    34 S   O2Z  _O31    30     1.26381   116.07184    -0.43386
   36    34 S   O2Z  _O32    31     1.26425   114.41970   179.61999
   37    33 S   CM   _C16    37     1.53691   103.51042   174.54838
   38    37 S   CM   _C17    38     1.34730   118.03935    79.04470
   39    38 S   HC   _H19    39     1.08217   123.12075  -177.50558
   40    37 S   CT   _C15    74     1.55559   117.89849  -104.24232
   41    38 S   CO4  _C18    40     1.47661   122.69214     1.53263
   42    41 S   O    _O33    41     1.22602   120.61715  -165.67230
   43    40 S   CT   _C10    75     1.55802   104.15000   -54.40383
   44    43 S   HC   _H7_    76     1.09709   104.84764   -59.23081
   45    40 S   C3T  _C14    91     1.53943   115.80670  -167.84242
   46    45 S   HC   _H10    92     1.07885   116.86012    14.40303
   47    40 S   CT   _C19   100     1.54756   107.65199    69.49835
   48    47 S   HC   _H20   101     1.08895   113.40153  -177.77428
   49    47 S   HC   _H21   102     1.09760   110.08694    63.23016
   50    47 S   HC   _H22   103     1.08873   114.39552   -57.19894
   51    41 S   OS   _O34    42     1.35638   117.06524    14.95143
   52    43 S   CT   _C9_    77     1.51614   115.70812    57.89721
   53    52 S   HC   _H6_    78     1.09731   110.36400  -145.21814
   54    82 S   O3T  _O35    93     1.43205   116.49283  -105.67968
   55    33 S   CT   _C6_    43     1.55546   107.17530   -70.72618
   56    55 S   HC   _H4_    44     1.09472   107.67244    54.53219
   57    33 S   CT   _C8_    79     1.55573   107.05728    53.48275
   58    57 S   HC   _H5_    80     1.09535   110.37539    23.34337
   59    52 S   OS   _O38    83     1.44174   104.67022   101.33945
   60    55 S   CT   _C5_    45     1.56010   118.80820   174.40728
   61    60 S   HC   _H3_    46     1.09407   109.76660   -48.89717
   62    57 S   OH   _O39    81     1.43399   110.68823   -91.39847
   63    62 S   HO   _H27    82     0.97358   107.44617   174.68002
   64    59 S   CO4  _C20    84     1.36725   110.91877    19.04907
   65    64 S   O    _O37    85     1.22200   123.92066   177.30252
   66    60 S   CT   _C4_    47     1.53677   108.39327  -167.70162
   67    66 S   HC   _H16    48     1.09529   111.17363   -72.70370
   68    66 S   HC   _H17    49     1.09251   111.66827   168.05331
   69    66 S   HC   _H18    50     1.09488   111.45198    49.01937
   70    60 S   OS1  _O40    51     1.43129   110.41896    72.72075
   71    43 S   CT   _C11    86     1.54442   117.83437  -178.62655
   72    70 S   CO1  _C22    52     1.43672   115.75132  -155.94099
   73    72 S   HC   _H11    53     1.09668   107.87586    60.80600
   74    71 S   CT   _C12    87     1.55035   115.40390    23.57950
   75    74 S   HC   _H8_    88     1.09697   109.69232   143.84095
   76    71 S   CT   _C21    96     1.54689   109.60095   146.39586
   77    76 S   HC   _H24    97     1.09537   111.12280   -66.73698
   78    76 S   HC   _H25    98     1.09655   110.88359   173.22037
   79    76 S   HC   _H26    99     1.09566   112.29111    54.12280
   80    72 S   CT   _C23    54     1.53729   107.15777  -179.95154
   81    80 S   HC   _H12    55     1.09699   109.53057    54.70174
   82    74 S   C3T  _C13    89     1.50190   111.70587    25.32854
   83    82 S   HC   _H9_    90     1.08131   114.05578   110.97537
   84    74 S   OH   _O36    94     1.42469   113.40926   -99.41464
   85    84 S   HO   _H23    95     0.97344   107.80105   -62.52434
   86    80 S   CT   _C24    56     1.53231   111.38128   176.26115
   87    86 S   HC   _H13    57     1.09679   110.21792    73.34505
   88    80 S   OH5  _O45    72     1.42743   110.55071   -61.82651
   89    88 S   HO   _H33    73     0.97141   108.26547   -74.38668
   90    86 S   CT   _C25    58     1.53091   111.45279   -49.20846
   91    90 S   HC   _H14    59     1.09700   109.09908   -71.55649
   92    86 S   OH5  _O44    70     1.42900   109.59544  -170.83893
   93    92 S   HO   _H32    71     0.97254   108.15897    61.44674
   94    90 S   CT   _C26    60     1.53100   110.40878    49.62928
   95    94 S   HC   _H15    61     1.09838   111.01746    64.16495
   96    90 S   OH5  _O43    68     1.42555   109.74390   171.50497
   97    96 S   HO   _H31    69     0.97247   108.29419   -58.21877
   98    72 S   OS1  _O41    62     1.42630   112.47567   -60.45034
   99    94 S   CT   _C27    63     1.52944   111.62040  -174.91385
  100    99 S   HC   _H28    64     1.09501   111.03062    69.35771
  101    99 S   HC   _H29    65     1.09395   111.57016   -53.11566
  102    99 S   OH5  _O42    66     1.42518   108.95103  -172.03267
  103   102 S   HO   _H30    67     0.97250   106.99862  -178.31670
  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
  22   2   1   1  24  10   4  21   5   2  25  10  13   5   7   2
   1   1   7  12   6   6  12   5   7   3   6  10   6   1   1  10
   3   5   3   2   1   8  10  13   6   9   5   5   2   1   1  12
   7   3   1   1   1  13   7   4   1  12   7   3   1   9   6   3
   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    57    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    51    55    56    60    40    52    57    58    62  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    51    55    56    60    61    66    70    40    43    52    53    57    58    62    63    59    45    47  
   35    36  
   36  
    0  
   38    39    41    42    51    55    56    60    40    43    44    52    57    58    62    71    82    45    46    54    47    48    49    50  
   39    41    42    51    55    40    43    57    45    47  
   41    42    51    40  
   43    44    52    53    57    59    64    71    74    82    83    45    46    54    76    47    48    49    50    41    55  
   42    51    55    56    60  
   51    55  
   44    52    53    57    58    62    59    64    65    71    74    75    82    45    46    54    84    76    77    78    79    47    48    49    50  
   52    53    57    59    64    71    74    45    76    47  
   46    54    84    47    48    49    50    52    71    74    75    82    83  
   54    47    74    82    83  
   48    49    50    52    54    71    82  
   49    50  
   50  
    0  
   55    56    60    61    66    70    57  
   53    57    58    62    63    59    64    65    71    74    76    55  
   57    58    62    59    64    71  
   84    71    74    75    82    83  
   56    60    61    66    67    68    69    70    72    57    58    62  
   60    61    66    70    57  
   58    62    63    59    64    71    60  
   62    63    59  
   64    65    71    74    76    62  
   61    66    67    68    69    70    72    73    80    98  
   66    67    68    69    70    72  
   63  
    0  
   65    71    74    75    82    84    76    77    78    79  
   71    74    76  
   67    68    69    70    72  
   68    69    70  
   69    70  
   70  
   72    73    80    81    86    94    98    88  
   74    75    82    83    84    85    76    77    78    79  
   73    80    81    86    87    90    94    95    98    99    92    88    89  
   80    81    86    94    98    88  
   75    82    83    84    85    76    77    78    79  
   82    83    84    85    76  
   77    78    79    82    84  
   78    79  
   79  
    0  
   81    86    87    90    91    94    98    96    92    93    88    89  
   86    87    90    98    92    88    89  
   83    84    85  
   84  
   85  
    0  
   87    90    91    94    95    98    99    96    97    92    93    88    89  
   90    91    94    96    92    93    88  
   89    90    92    98  
    0  
   91    94    95    98    99   100   101   102    96    97    92    93  
   94    95    98    99    96    97    92  
   93    94    96  
    0  
   95    98    99   100   101   102   103    96    97  
   98    99   100   101   102    96  
   97    98    99  
    0  
   99   100   101   102  
  100   101   102   103  
  101   102   103  
  102   103  
  103  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   98   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   99   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    55   268.000  1.529
   33    57   268.000  1.529
   37    38   549.000  1.340
   37    40   317.000  1.510
   38    39   340.000  1.080
   38    41   320.000  1.462
   41    42   570.000  1.229
   41    51   214.000  1.327
   51    55   320.000  1.410
   55    56   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    70   335.000  1.422
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    72   370.000  1.399
   72    73   360.000  1.097
   72    80   255.000  1.525
   72    98   370.000  1.399
   80    81   340.000  1.090
   80    86   268.000  1.529
   80    88   355.000  1.421
   86    87   340.000  1.090
   86    90   268.000  1.529
   86    92   355.000  1.421
   90    91   340.000  1.090
   90    94   268.000  1.529
   90    96   355.000  1.421
   94    95   340.000  1.090
   94    98   335.000  1.422
   94    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   355.000  1.421
  102   103   580.000  0.967
   96    97   580.000  0.967
   92    93   580.000  0.967
   88    89   580.000  0.967
   40    43   268.000  1.529
   40    45   275.000  1.510
   40    47   268.000  1.529
   43    44   340.000  1.090
   43    52   268.000  1.529
   43    71   268.000  1.529
   52    53   340.000  1.090
   52    57   268.000  1.529
   52    59   320.000  1.410
   57    58   340.000  1.090
   57    62   320.000  1.410
   62    63   553.000  0.945
   59    64   214.000  1.327
   64    65   570.000  1.229
   64    71   317.000  1.522
   71    74   268.000  1.529
   71    76   268.000  1.529
   74    75   340.000  1.090
   74    82   275.000  1.510
   74    84   320.000  1.410
   82    83   340.000  1.088
   82    45   260.000  1.509
   82    54   335.000  1.432
   45    46   340.000  1.088
   45    54   335.000  1.432
   84    85   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    55    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    55    51    50.00000  109.50000
   33    55    56    37.50000  110.70000
   33    55    60    58.35000  112.70000
   33    57    52    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    62    50.00000  109.50000
   37    38    39    35.00000  120.00000
   37    38    41    65.00000  118.96000
   37    40    43    70.00000  112.02700
   37    40    45    70.00000  112.02700
   37    40    47    70.00000  112.02700
   38    41    42    80.00000  123.72100
   38    41    51    90.00000  111.29400
   41    38    39    40.00000  117.72500
   41    51    55    83.00000  116.90000
   51    41    42    83.00000  123.40000
   51    55    56    35.00000  109.50000
   51    55    60    50.00000  109.50000
   55    33    37    70.00000  112.02700
   55    60    61    37.50000  110.70000
   55    60    66    58.35000  112.70000
   55    60    70    95.00000  107.88500
   60    55    56    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    37.50000  110.70000
   60    70    72    90.00000  112.10700
   66    60    61    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    60    61    55.00000  108.98800
   70    60    66    95.00000  107.88500
   70    72    73    60.00000  105.75400
   70    72    80    90.00000  109.70700
   70    72    98   110.00000  113.16000
   72    80    81    45.00000  109.54000
   72    80    86    70.00000  111.10000
   72    80    88    90.00000  109.42000
   72    98    94    90.00000  112.10700
   80    72    73    45.00000  111.65000
   80    86    87    37.50000  110.70000
   80    86    90    58.35000  112.70000
   80    86    92    90.00000  111.45300
   80    88    89    65.00000  108.53500
   86    80    81    37.50000  110.70000
   86    90    91    37.50000  110.70000
   86    90    94    58.35000  112.70000
   86    90    96    90.00000  111.45300
   86    92    93    65.00000  108.53500
   90    86    87    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94    98    95.00000  107.88500
   90    94    99    58.35000  112.70000
   90    96    97    65.00000  108.53500
   94    90    91    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    90.00000  111.45300
   98    72    73    60.00000  105.75400
   98    72    80    90.00000  109.70700
   98    94    95    55.00000  108.98800
   99    94    95    37.50000  110.70000
   99    94    98    95.00000  107.88500
   99   102   103    65.00000  108.53500
  101    99   100    33.00000  107.80000
  102    99   100    60.00000  109.39000
  102    99   101    60.00000  109.39000
   96    90    91    60.00000  109.39000
   96    90    94    90.00000  111.45300
   92    86    87    60.00000  109.39000
   92    86    90    90.00000  111.45300
   88    80    81    60.00000  109.39000
   88    80    86    90.00000  111.45300
   40    37    38    70.00000  124.00000
   40    43    44    37.50000  110.70000
   40    43    52    58.35000  112.70000
   40    43    71    58.35000  112.70000
   40    45    82    60.00000  120.94000
   40    45    46    40.00000  115.04500
   40    45    54    80.00000  116.47100
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   43    52    53    37.50000  110.70000
   43    52    57    58.35000  112.70000
   43    52    59    50.00000  109.50000
   43    71    64    63.00000  111.10000
   43    71    74    58.35000  112.70000
   43    71    76    58.35000  112.70000
   52    43    44    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    62    50.00000  109.50000
   52    59    64    83.00000  116.90000
   57    33    37    70.00000  112.02700
   57    33    55    58.35000  112.70000
   57    52    53    37.50000  110.70000
   57    62    63    55.00000  108.50000
   62    57    58    35.00000  109.50000
   59    52    53    35.00000  109.50000
   59    52    57    50.00000  109.50000
   59    64    65    83.00000  123.40000
   59    64    71    81.00000  111.40000
   64    71    74    63.00000  111.10000
   64    71    76    63.00000  111.10000
   71    43    44    37.50000  110.70000
   71    43    52    58.35000  112.70000
   71    64    65    80.00000  120.40000
   71    74    75    37.50000  110.70000
   71    74    82    70.00000  112.37300
   71    74    84    50.00000  109.50000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    37.50000  110.70000
   74    82    83    40.00000  115.04500
   74    82    45    60.00000  120.94000
   74    82    54    80.00000  116.47100
   74    84    85    55.00000  108.50000
   82    74    75    45.00000  109.38400
   82    45    46    37.50000  117.20000
   82    45    54    15.00000   60.43100
   82    54    45    15.00000   59.14900
   45    40    43    70.00000  112.37300
   45    82    83    37.50000  117.20000
   54    82    83    50.00000  114.27700
   54    82    45    15.00000   60.43100
   54    45    46    50.00000  114.27700
   84    74    75    35.00000  109.50000
   84    74    82    50.00000  109.50000
   76    71    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   47    40    43    58.35000  112.70000
   47    40    45    70.00000  112.37300
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  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    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
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
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   59    52    57    58   0.23400  1.0 3.0
   59    52    57    62   3.69350  1.0 1.0
   59    52    57    62  -1.82950 -1.0 2.0
   59    64   -71    43   0.36750  1.0 3.0
   59    64    71    74   0.36750  1.0 3.0
   59    64    71    76   0.36750  1.0 3.0
   64    71    74    75  -0.11250  1.0 3.0
   64    71    74    82  -0.95700  1.0 1.0
   64    71    74    82  -0.18200 -1.0 2.0
   64    71    74    82   0.29450  1.0 3.0
   64    71    74    84  -0.09450  1.0 1.0
   64    71    74    84  -1.12950 -1.0 2.0
   64    71    74    84   0.54000  1.0 3.0
   64    71    76    77  -0.11250  1.0 3.0
   64    71    76    78  -0.11250  1.0 3.0
   64    71    76    79  -0.11250  1.0 3.0
   65    64    71    43   0.30150 -1.0 2.0
   65    64    71    74   0.30150 -1.0 2.0
   65    64    71    76   0.30150 -1.0 2.0
   71    43    52    53   0.15000  1.0 3.0
   71    43    52    57   0.56750  1.0 1.0
   71    43    52    57  -0.07550 -1.0 2.0
   71    43    52    57   0.20000  1.0 3.0
   71    43   -52    59   0.62750  1.0 1.0
   71    43   -52    59  -0.30950 -1.0 2.0
   71    43   -52    59   0.27300  1.0 3.0
   71    74    82    83   0.15000  1.0 3.0
   71    74    82    45   0.07850  1.0 1.0
   71    74    82    45  -0.03950 -1.0 2.0
   71    74    82    45   0.67350  1.0 3.0
   71    74    82    54   0.02550  1.0 1.0
   71    74    82    54  -0.02600 -1.0 2.0
   71    74    82    54   1.20400  1.0 3.0
   71    74    84    85  -0.11600  1.0 1.0
   71    74    84    85  -0.09450 -1.0 2.0
   71    74    84    85   0.21250  1.0 3.0
   74    71    76    77   0.15000  1.0 3.0
   74    71    76    78   0.15000  1.0 3.0
   74    71    76    79   0.15000  1.0 3.0
   74    82   -45    40   0.56750  1.0 1.0
   74    82   -45    40  -0.07550 -1.0 2.0
   74    82   -45    40   0.20000  1.0 3.0
   74    82    45    46   0.15000  1.0 3.0
   74    82   -45    54   0.02550  1.0 1.0
   74    82   -45    54  -0.02600 -1.0 2.0
   74    82   -45    54   1.20400  1.0 3.0
   74    82   -54    45   0.06250  1.0 1.0
   74    82   -54    45  -0.01100 -1.0 2.0
   74    82   -54    45   0.28050  1.0 3.0
   75    74    82    83   0.15000  1.0 3.0
   75    74    82    45   0.15000  1.0 3.0
   75    74    82    54   0.23400  1.0 3.0
   75    74    84    85   0.19450  1.0 3.0
   82    74    84    85  -0.11600  1.0 1.0
   82    74    84    85  -0.09450 -1.0 2.0
   82    74    84    85   0.21250  1.0 3.0
   83    82    45    40   0.15000  1.0 3.0
   83    82    45    46   0.15000  1.0 3.0
   83    82   -45    54   0.23400  1.0 3.0
   83    82   -54    45   0.36800  1.0 3.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    52   0.47050  1.0 1.0
   45    40    43    52   0.03900 -1.0 2.0
   45    40    43    52   0.20100  1.0 3.0
   45    40   -43    71   0.47050  1.0 1.0
   45    40   -43    71   0.03900 -1.0 2.0
   45    40   -43    71   0.20100  1.0 3.0
   45    40    47    48   0.15000  1.0 3.0
   45    40    47    49   0.15000  1.0 3.0
   45    40    47    50   0.15000  1.0 3.0
   46    45   -54    82   0.36800  1.0 3.0
   54    82   -45    40   0.02550  1.0 1.0
   54    82   -45    40  -0.02600 -1.0 2.0
   54    82   -45    40   1.20400  1.0 3.0
   54    82   -45    46   0.23400  1.0 3.0
   84    74    82    83   0.23400  1.0 3.0
   84    74    82    45   0.86500  1.0 1.0
   84    74    82    45  -0.17500 -1.0 2.0
   84    74    82    45   0.20800  1.0 3.0
   84    74    82    54   3.69350  1.0 1.0
   84    74    82    54  -1.82950 -1.0 2.0
   76    71    74    75   0.15000  1.0 3.0
   76    71    74    82   0.47050  1.0 1.0
   76    71    74    82   0.03900 -1.0 2.0
   76    71    74    82   0.20100  1.0 3.0
   76    71    74    84   0.86500  1.0 1.0
   76    71    74    84  -0.17500 -1.0 2.0
   76    71    74    84   0.20800  1.0 3.0
   47    40    43    44   0.15000  1.0 3.0
   47    40    43    52   0.56750  1.0 1.0
   47    40    43    52  -0.07550 -1.0 2.0
   47    40    43    52   0.20000  1.0 3.0
   47    40    43    71   0.56750  1.0 1.0
   47    40    43    71  -0.07550 -1.0 2.0
   47    40    43    71   0.20000  1.0 3.0
   47    40    45    82   0.07850  1.0 1.0
   47    40    45    82  -0.03950 -1.0 2.0
   47    40    45    82   0.67350  1.0 3.0
   47    40    45    46   0.15000  1.0 3.0
   47    40    45    54   0.02550  1.0 1.0
   47    40    45    54  -0.02600 -1.0 2.0
   47    40    45    54   1.20400  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    40    37    38   1.10000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   38    51    41    42  10.50000 -1.0 2.0
   59    71    64    65  10.50000 -1.0 2.0
END
