* LIGAND DATABASE FILE (OPLS2005)
*
001     110   114    215    347     646
    1     0 S   NP   _N1_     1    28.78603    93.20579   -23.26293
    2     1 S   H    _HN1     2     1.02782   102.49642   -80.19116
    3     1 S   H    _H1_     3     1.02953    89.82031    28.56759
    4     1 S   H    _H2_     4     1.02833    21.51217   172.65770
    5     1 S   CT   _CA1     5     1.50148   130.39816   145.63354
    6     5 S   HC   _HA1     6     1.09572   105.20691    69.56866
    7     5 S   CO3  _C1_     7     1.53816   112.24488   -50.64839
    8     7 S   O2Z  _O11     8     1.26372   114.99687   -45.31224
    9     7 S   O2Z  _O12     9     1.26222   114.92912   133.57047
   10     5 S   CT   _CB1    10     1.53064   107.38766  -172.50137
   11    10 S   HC   HB11    11     1.09826   109.40480   -49.25393
   12    10 S   HC   HB12    12     1.09817   110.44627    67.34443
   13    10 S   CT   _CG1    13     1.52993   112.62659  -170.25418
   14    13 S   HC   HG11    14     1.09550   110.54848   -62.39461
   15    13 S   HC   HG12    15     1.09659   109.95982    56.71310
   16    13 S   C    _CD1    16     1.51847   112.17224   176.79729
   17    16 S   O    _OE1    17     1.22746   123.23950    -4.47335
   18    16 S   N    _N2_    18     1.38604   111.70753   176.19548
   19    18 S   H    _HN2    19     1.01603   118.99147     0.36530
   20    18 S   CT1  _CA2    20     1.46256   123.42721   178.09813
   21    20 S   HC   _HA2    21     1.09742   109.36695    -3.46713
   22    20 S   C    _C2_    22     1.53497   108.57939  -118.85990
   23    22 S   O    _O2_    23     1.23052   122.34287  -149.23833
   24    20 S   CT   _CB2    32     1.53504   111.50688   118.61324
   25    24 S   HC   HB21    33     1.09341   109.28494    55.78302
   26    24 S   HC   HB22    34     1.09412   109.85999   174.46664
   27    22 S   N    _N3_    24     1.38356   113.60905    38.38591
   28    27 S   H    _HN3    25     1.01619   119.47414    -3.89621
   29    24 S   S    _SG2    35     1.83008   110.85941   -66.16223
   30    27 S   CT   _CA3    26     1.45282   123.17478   176.90895
   31    30 S   HC   HA31    27     1.09552   107.53882   -63.57618
   32    30 S   HC   HA32    28     1.09558   107.93799    52.83785
   33    29 S   CT   _C23    36     1.88282   102.81745   168.10629
   34    30 S   CO3  _C3_    29     1.52942   114.11713   174.80118
   35    34 S   O2Z  _O31    30     1.26369   116.05622    -0.92810
   36    34 S   O2Z  _O32    31     1.26429   114.41333   179.13566
   37    33 S   CM   _C22    37     1.53511   105.89252   -69.32161
   38    37 S   HC   _H17    38     1.09402   111.86434    73.28356
   39    33 S   CT   _C24    97     1.54456   103.21405   168.91329
   40    39 S   HC   _H18    98     1.09582   112.14483   -64.08771
   41    39 S   HC   _H19    99     1.09672   112.55010    55.26145
   42    39 S   HC   _H20   100     1.09500   111.67388   176.10253
   43    33 S   CT   _C25   101     1.57633   112.36352    49.88772
   44    43 S   HC   _H21   102     1.09840   108.36058   -62.40129
   45    37 S   CMA  _C21    39     1.35832   133.70846  -109.22556
   46    45 S   OM   _O37    40     1.26883   122.77237  -178.88724
   47    43 S   CT   _C26   103     1.54044   112.68515  -178.80384
   48    47 S   HC   _H22   104     1.09427   111.84024   -65.23641
   49    47 S   HC   _H23   105     1.09602   110.33910   175.31521
   50    47 S   HC   _H24   106     1.09390   111.77242    56.45948
   51    43 S   CT   _C27   107     1.53774   115.10853    56.81762
   52    51 S   HC   _H25   108     1.09432   111.90659    67.15064
   53    51 S   HC   _H26   109     1.09283   112.39031   -55.05502
   54    51 S   HC   _H27   110     1.09627   110.07753  -173.95937
   55    45 S   OS   _O36    41     1.40726   112.96441     2.26140
   56    55 S   CT   _C19    42     1.42975   118.19838  -151.21233
   57    56 S   HC   _H9_    43     1.09112   111.32723   -36.31825
   58    56 S   CO4  _C20    44     1.52646   109.80617    82.38489
   59    58 S   O    _O34    45     1.22714   123.75513   -25.29621
   60    56 S   CT   _C18    69     1.52166   107.71068  -159.15083
   61    60 S   HC   _H8_    70     1.10526   105.44527   -55.18483
   62    58 S   OS   _O35    46     1.35905   115.49710   160.34423
   63    64 S   CT   _C13    71     1.52533   112.09681    42.83875
   64    62 S   CT   _C12    47     1.45879   122.89229   -39.27346
   65    64 S   HC   _H4_    48     1.09739   105.60298   -77.77665
   66    63 S   CT   _C28    72     1.53385   115.21342  -155.38250
   67    66 S   HC   _H28    73     1.08689   116.12117   -88.99669
   68    66 S   HC   _H29    74     1.09643   112.03274    34.76709
   69    64 S   CT   _C11    49     1.53081   105.86562   167.76792
   70    69 S   HC   _H15    50     1.09478   110.49446   167.31688
   71    69 S   HC   _H16    51     1.09664   107.15643    51.58799
   72   101 S   OS   _O38    75     1.46350   106.40317   -53.59080
   73    69 S   CT   _C10    52     1.54596   111.40246   -68.31668
   74    73 S   HC   _H3_    53     1.10140   106.41596    54.19560
   75    73 S   CM   _C5_    54     1.52982   115.47339   168.66944
   76    75 S   CM   _C6_    55     1.34721   121.48804   156.38292
   77    75 S   CT   _C4_    93     1.50772   117.59858   -27.03232
   78    77 S   HC   _H10    94     1.09503   110.22198   -54.16729
   79    77 S   HC   _H11    95     1.09444   113.10538  -173.65483
   80    77 S   HC   _H12    96     1.09465   110.47630    66.43462
   81    76 S   CO4  _C7_    56     1.49006   120.74933    -0.06256
   82    81 S   O    _O33    57     1.23144   119.38340   176.67698
   83    76 S   OH   _O43    91     1.38041   122.26800   178.83115
   84    83 S   HO   _H38    92     0.97450   106.89260  -179.00279
   85    81 S   CT   _C8_    58     1.51257   119.37265    -0.94564
   86    85 S   HC   _H13    59     1.09689   106.90648    95.42118
   87    85 S   HC   _H14    60     1.09638   107.34191  -149.03486
   88    73 S   CT   _C9_    61     1.56744   109.94871   -62.17343
   89    88 S   CT   _C14    62     1.59112   107.97355    59.07668
   90    89 S   HC   _H5_    63     1.09876   102.93312    61.76222
   91    88 S   CT   _C31    87     1.55271   110.43566   -66.74257
   92    91 S   HC   _H35    88     1.08866   113.07265    64.89964
   93    91 S   HC   _H36    89     1.09502   112.28044   -54.00498
   94    91 S   HC   _H37    90     1.09230   112.24111  -172.13388
   95    89 S   CT   _C15    64     1.56275   116.10595   174.22521
   96    95 S   HC   _H6_    65     1.09619   108.44214   -63.14389
   97    95 S   CT   _C16    66     1.54593   112.21310   176.30695
   98    97 S   HC   _H7_    67     1.09759   109.47220  -160.68937
   99    95 S   OH   _O42    85     1.42235   111.51615    53.99636
  100    99 S   HO   _H34    86     0.97236   107.96888  -176.69447
  101    97 S   CT   _C17    68     1.54370   111.81561   -40.19972
  102    97 S   OH   _O41    83     1.42261   108.54756    82.46243
  103   102 S   HO   _H33    84     0.97213   108.14077    66.15846
  104   101 S   CO4  _C29    76     1.52653   114.44570  -167.94004
  105   104 S   O    _O39    77     1.22631   124.09172   134.58453
  106   104 S   OS   _O40    78     1.36123   111.11053   -46.17500
  107   106 S   CT   _C30    79     1.42974   115.84184   179.84805
  108   107 S   HC   _H30    80     1.09232   107.96810   170.57744
  109   107 S   HC   _H31    81     1.09387   110.93819    51.62635
  110   107 S   HC   _H32    82     1.09362   109.82662   -70.85119
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  19   2   1   1  13   5   8   3   2   1  10   8   6   2   7   3
   2   1   3   2   1   1   9  14   7   9   3  21   8   9  21  16
   6  11   4   3  11   5   4   9  20   7  13  12   6   2   1   1
   9   5   2   1  10   4   3  10  13   5   4   2   1   1   9   6
   9   5   3   1   6   2   1   6   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    41    42    43    44    47    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    55    39    40    41    42    43    44    47    48    49    50    51    52    53    54  
   35    36  
   36  
    0  
   38    45    46    55    56    39    40    41    42    43    44    47    51  
   45    46    55    39    43  
   40    41    42    43    44    47    51    45  
   41    42    43  
   42    43  
   43  
   44    47    48    49    50    51    52    53    54    45  
   47    48    49    50    51    52    53    54  
   46    55    56    57    58    60  
   55    56  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51  
   51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    62   101    60    61    63  
   57    58    59    62    64    89    97   101    60    61    63    66    72   104  
   58    59    62   101    60    61    63  
   59    62    64    65    69   101    60    61    63  
   62    64    60  
   61    63    66    67    68    72   104   105   106   102    62    64    65    69    88    89    90    95    97    98   101  
   63    66    72   104    64    89    97   101  
   64    65    69    70    71    73    89    63    66  
   66    67    68    72   104    99    91    64    65    69    70    71    73    85    88    89    90    95    96    97   101  
   65    69    70    71    73    74    75    88    89    90    95   101    66    67    68    72  
   69    70    71    73    89    66  
   67    68    72   104    69    88    89    90    95    97   101  
   68    72    89   101  
   72    89   101  
   70    71    73    74    75    76    85    88    89    91    77  
   71    73    74    75    88  
   73    74    75    88  
  104   105   106   102    89    95    97    98   101  
   74    75    76    81    85    86    87    88    89    90    95    91    92    93    94    83    77    78    79    80  
   75    76    85    88    89    91    77  
   76    81    82    85    88    89    91    83    84    77    78    79    80  
   81    82    85    86    87    88    83    84    77    78    79    80  
   78    79    80    81    83    88  
   79    80  
   80  
    0  
   82    85    86    87    88    89    91    83    84  
   85    86    87    88    83  
   84    85  
    0  
   86    87    88    89    90    95    91    92    93    94  
   87    88    89    91  
   88    89    91  
   89    90    95    96    97    99    91    92    93    94  
   90    95    96    97    98   101   102    99   100    91    92    93    94  
   95    96    97    99    91  
   92    93    94    95  
   93    94  
   94  
    0  
   96    97    98   101   104   102   103    99   100  
   97    98   101   102    99   100  
   98   101   104   105   106   102   103    99   100  
  101   104   102   103    99  
  100   101   102  
    0  
  104   105   106   107   102   103  
  103   104  
    0  
  105   106   107   108   109   110  
  106   107  
  107   108   109   110  
  108   109   110  
  109   110  
  110  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
  102   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  103   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  104   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  106   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
  107   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  109   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  110   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    45   465.000  1.376
   45    46   745.000  1.250
   45    55   440.000  1.360
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   317.000  1.522
   56    60   268.000  1.529
   58    59   570.000  1.229
   58    62   214.000  1.327
   62    64   320.000  1.410
   64    65   340.000  1.090
   64    69   268.000  1.529
   64    63   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   317.000  1.510
   73    88   268.000  1.529
   75    76   549.000  1.340
   75    77   317.000  1.510
   76    81   320.000  1.462
   76    83   510.000  1.338
   81    82   570.000  1.229
   81    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   268.000  1.529
   88    91   268.000  1.529
   89    90   340.000  1.090
   89    95   268.000  1.529
   89    63   268.000  1.529
   95    96   340.000  1.090
   95    97   268.000  1.529
   95    99   320.000  1.410
   97    98   340.000  1.090
   97   101   268.000  1.529
   97   102   320.000  1.410
  101    60   268.000  1.529
  101    72   320.000  1.410
  101   104   317.000  1.522
   60    61   340.000  1.090
   60    63   268.000  1.529
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   320.000  1.410
  104   105   570.000  1.229
  104   106   214.000  1.327
  106   107   320.000  1.410
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  102   103   553.000  0.945
   99   100   553.000  0.945
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   83    84   553.000  0.945
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    47    58.35000  112.70000
   33    43    51    58.35000  112.70000
   37    45    46    65.00000  137.10300
   37    45    55    80.00000  120.01400
   45    37    38    40.00000  120.50800
   45    55    56    90.00000  111.18400
   55    45    46    65.00000  121.00000
   55    56    57    35.00000  109.50000
   55    56    58    90.00000  108.74100
   55    56    60    50.00000  109.50000
   56    58    59    80.00000  120.40000
   56    58    62    81.00000  111.40000
   56    60   101    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    63    58.35000  112.70000
   58    56    57    35.00000  109.50000
   58    62    64    83.00000  116.90000
   62    58    59    83.00000  123.40000
   62    64    65    35.00000  109.50000
   62    64    69    50.00000  109.50000
   62    64    63    50.00000  109.50000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    73    58.35000  112.70000
   64    63    89    58.35000  112.70000
   64    63    60    58.35000  112.70000
   64    63    66    58.35000  112.70000
   69    64    65    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    75    70.00000  112.02700
   69    73    88    58.35000  112.70000
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    75    76    70.00000  124.00000
   73    75    77    65.00000  117.92700
   73    88    85    58.35000  112.70000
   73    88    89    58.35000  112.70000
   73    88    91    58.35000  112.70000
   75    73    74    35.00000  109.50000
   75    76    81    65.00000  118.96000
   75    76    83    80.00000  121.38400
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    35.00000  109.50000
   76    81    82    80.00000  123.72100
   76    81    85    65.00000  118.62400
   76    83    84    70.00000  107.45700
   81    85    86    35.00000  109.50000
   81    85    87    35.00000  109.50000
   81    85    88    63.00000  111.10000
   85    81    82    80.00000  120.40000
   85    88    89    58.35000  112.70000
   85    88    91    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    73    74    37.50000  110.70000
   88    73    75    70.00000  112.02700
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   88    89    90    37.50000  110.70000
   88    89    95    58.35000  112.70000
   88    89    63    58.35000  112.70000
   88    91    92    37.50000  110.70000
   88    91    93    37.50000  110.70000
   88    91    94    37.50000  110.70000
   89    95    96    37.50000  110.70000
   89    95    97    58.35000  112.70000
   89    95    99    50.00000  109.50000
   89    63    60    58.35000  112.70000
   89    63    66    58.35000  112.70000
   95    89    90    37.50000  110.70000
   95    97    98    37.50000  110.70000
   95    97   101    58.35000  112.70000
   95    97   102    50.00000  109.50000
   95    99   100    55.00000  108.50000
   97    95    96    37.50000  110.70000
   97   101    60    58.35000  112.70000
   97   101    72    50.00000  109.50000
   97   101   104    63.00000  111.10000
   97   102   103    55.00000  108.50000
  101    97    98    37.50000  110.70000
  101    60    61    37.50000  110.70000
  101    60    63    58.35000  112.70000
  101    72    66    60.00000  109.50000
  101   104   105    80.00000  120.40000
  101   104   106    81.00000  111.40000
   60    56    57    37.50000  110.70000
   60    56    58    63.00000  111.10000
   60    63    66    58.35000  112.70000
   63    64    65    37.50000  110.70000
   63    64    69    58.35000  112.70000
   63    89    90    37.50000  110.70000
   63    89    95    58.35000  112.70000
   63    60    61    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    72    50.00000  109.50000
   68    66    67    33.00000  107.80000
   72   101    60    50.00000  109.50000
   72    66    67    35.00000  109.50000
   72    66    68    35.00000  109.50000
  104   101    60    63.00000  111.10000
  104   101    72    90.00000  108.74100
  104   106   107    83.00000  116.90000
  106   104   105    83.00000  123.40000
  106   107   108    35.00000  109.50000
  106   107   109    35.00000  109.50000
  106   107   110    35.00000  109.50000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  102    97    98    35.00000  109.50000
  102    97   101    50.00000  109.50000
   99    95    96    35.00000  109.50000
   99    95    97    50.00000  109.50000
   91    88    89    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   83    76    81    85.00000  116.28000
   77    75    76    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   47    43    44    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    43    44    37.50000  110.70000
   51    43    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
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   97   101    60    63   0.56750  1.0 1.0
   97   101    60    63  -0.07550 -1.0 2.0
   97   101    60    63   0.20000  1.0 3.0
   97   101    72    66   0.06250  1.0 1.0
   97   101    72    66  -0.01100 -1.0 2.0
   97   101    72    66   0.28050  1.0 3.0
   97   101   104   105   0.30150 -1.0 2.0
   97   101   104   106   0.36750  1.0 3.0
   98    97   101    60   0.15000  1.0 3.0
   98    97   101    72   0.23400  1.0 3.0
   98    97   101   104  -0.11250  1.0 3.0
   98    97   102   103   0.19450  1.0 3.0
  101    97   102   103  -0.11600  1.0 1.0
  101    97   102   103  -0.09450 -1.0 2.0
  101    97   102   103   0.21250  1.0 3.0
  101    60    63    64   0.56750  1.0 1.0
  101    60    63    64  -0.07550 -1.0 2.0
  101    60    63    64   0.20000  1.0 3.0
  101    60   -63    89   0.56750  1.0 1.0
  101    60   -63    89  -0.07550 -1.0 2.0
  101    60   -63    89   0.20000  1.0 3.0
  101    60   -63    66   0.56750  1.0 1.0
  101    60   -63    66  -0.07550 -1.0 2.0
  101    60   -63    66   0.20000  1.0 3.0
  101   104   106   107   1.63150  1.0 1.0
  101   104   106   107   2.92000 -1.0 2.0
   60    56    58    59   0.30150 -1.0 2.0
   60    56   -58    62   0.36750  1.0 3.0
   60   101   -72    66   0.06250  1.0 1.0
   60   101   -72    66  -0.01100 -1.0 2.0
   60   101   -72    66   0.28050  1.0 3.0
   60   101   104   105   0.30150 -1.0 2.0
   60   101   104   106   0.36750  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63   -66    72   0.62750  1.0 1.0
   60    63   -66    72  -0.30950 -1.0 2.0
   60    63   -66    72   0.27300  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    89   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   63    64    69    70   0.15000  1.0 3.0
   63    64    69    71   0.15000  1.0 3.0
   63    64   -69    73   0.56750  1.0 1.0
   63    64   -69    73  -0.07550 -1.0 2.0
   63    64   -69    73   0.20000  1.0 3.0
   63    89    95    96   0.15000  1.0 3.0
   63    89   -95    97   0.56750  1.0 1.0
   63    89   -95    97  -0.07550 -1.0 2.0
   63    89   -95    97   0.20000  1.0 3.0
   63    89    95    99   0.86500  1.0 1.0
   63    89    95    99  -0.17500 -1.0 2.0
   63    89    95    99   0.20800  1.0 3.0
   63    66   -72   101   0.06250  1.0 1.0
   63    66   -72   101  -0.01100 -1.0 2.0
   63    66   -72   101   0.28050  1.0 3.0
   67    66    72   101   0.37050  1.0 3.0
   68    66    72   101   0.37050  1.0 3.0
   72   101    60    56   0.62750  1.0 1.0
   72   101    60    56  -0.30950 -1.0 2.0
   72   101    60    56   0.27300  1.0 3.0
   72   101    60    61   0.23400  1.0 3.0
   72   101   -60    63   0.62750  1.0 1.0
   72   101   -60    63  -0.30950 -1.0 2.0
   72   101   -60    63   0.27300  1.0 3.0
   72   101   104   105   0.30150 -1.0 2.0
   72   101   104   106   0.40000  1.0 3.0
  104   101    60    56  -0.95700  1.0 1.0
  104   101    60    56  -0.18200 -1.0 2.0
  104   101    60    56   0.29450  1.0 3.0
  104   101    60    61  -0.11250  1.0 3.0
  104   101    60    63  -0.95700  1.0 1.0
  104   101    60    63  -0.18200 -1.0 2.0
  104   101    60    63   0.29450  1.0 3.0
  104   101    72    66  -1.11000  1.0 1.0
  104   101    72    66   0.50250 -1.0 2.0
  104   101    72    66   0.47450  1.0 3.0
  104   106   107   108   0.08050  1.0 3.0
  104   106   107   109   0.08050  1.0 3.0
  104   106   107   110   0.08050  1.0 3.0
  105   104   106   107   3.00000 -1.0 2.0
  102    97   101    60   0.86500  1.0 1.0
  102    97   101    60  -0.17500 -1.0 2.0
  102    97   101    60   0.20800  1.0 3.0
  102    97   101    72   3.69350  1.0 1.0
  102    97   101    72  -1.82950 -1.0 2.0
  102    97   101   104  -0.09450  1.0 1.0
  102    97   101   104  -1.12950 -1.0 2.0
  102    97   101   104   0.54000  1.0 3.0
   99    95    97    98   0.23400  1.0 3.0
   99    95    97   101   0.86500  1.0 1.0
   99    95    97   101  -0.17500 -1.0 2.0
   99    95    97   101   0.20800  1.0 3.0
   99    95    97   102   3.75450  1.0 1.0
   91    88    89    90   0.15000  1.0 3.0
   91    88    89    95   0.56750  1.0 1.0
   91    88    89    95  -0.07550 -1.0 2.0
   91    88    89    95   0.20000  1.0 3.0
   91    88    89    63   0.56750  1.0 1.0
   91    88    89    63  -0.07550 -1.0 2.0
   91    88    89    63   0.20000  1.0 3.0
   83    76    81    82  -0.11900  1.0 1.0
   83    76    81    82   0.76850 -1.0 2.0
   83    76    81    82   0.14100  1.0 3.0
   83    76    81    85   0.32450 -1.0 2.0
   83    76    81    85   0.17400  1.0 3.0
   77    75    76    81   7.00000 -1.0 2.0
   77    75    76    83   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45   0.09850  1.0 1.0
   39    33    37    45   0.15250 -1.0 2.0
   39    33    37    45  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    47   0.56750  1.0 1.0
   39    33    43    47  -0.07550 -1.0 2.0
   39    33    43    47   0.20000  1.0 3.0
   39    33    43    51   0.56750  1.0 1.0
   39    33    43    51  -0.07550 -1.0 2.0
   39    33    43    51   0.20000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    45   0.09850  1.0 1.0
   43    33    37    45   0.15250 -1.0 2.0
   43    33    37    45  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   47    43    51    52   0.15000  1.0 3.0
   47    43    51    53   0.15000  1.0 3.0
   47    43    51    54   0.15000  1.0 3.0
   51    43    47    48   0.15000  1.0 3.0
   51    43    47    49   0.15000  1.0 3.0
   51    43    47    50   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   46    55    45    37  15.00000 -1.0 2.0
   56    62    58    59  10.50000 -1.0 2.0
   73    77    75    76   1.10000 -1.0 2.0
   81    83    76    75   1.10000 -1.0 2.0
   76    85    81    82  10.50000 -1.0 2.0
  101   106   104   105  10.50000 -1.0 2.0
END
