* LIGAND DATABASE FILE (OPLS2005)
*
001     110   113    218    360     668
    1     0 S   NP   _N1_     1    28.65993    95.85720   -19.59787
    2     1 S   H    _HN1     2     1.02785    79.86263   -90.56123
    3     1 S   H    _H1_     3     1.02954    88.50412    18.29590
    4     1 S   H    _H2_     4     1.02845    41.17153   136.82531
    5     1 S   CT   _CA1     5     1.50122   151.30732   151.28730
    6     5 S   HC   _HA1     6     1.09585   105.22720    49.40425
    7     5 S   CO3  _C1_     7     1.53791   112.05111   -70.67330
    8     7 S   O2Z  _O11     8     1.26352   115.04177   -52.43330
    9     7 S   O2Z  _O12     9     1.26216   114.77701   126.35319
   10     5 S   CT   _CB1    10     1.53046   107.39303   167.05207
   11    10 S   HC   HB11    11     1.09830   109.30585   -51.53901
   12    10 S   HC   HB12    12     1.09821   110.47535    64.95574
   13    10 S   CT   _CG1    13     1.53042   112.68284  -172.63414
   14    13 S   HC   HG11    14     1.09621   110.41977   -62.73792
   15    13 S   HC   HG12    15     1.09635   110.08642    56.56337
   16    13 S   C    _CD1    16     1.51818   112.02580   176.84601
   17    16 S   O    _OE1    17     1.22759   123.15952    -3.81413
   18    16 S   N    _N2_    18     1.38619   111.83062   176.21768
   19    18 S   H    _HN2    19     1.01596   119.20002     1.32663
   20    18 S   CT1  _CA2    20     1.46296   123.18831  -177.67047
   21    20 S   HC   _HA2    21     1.09740   109.28991    -9.51273
   22    20 S   C    _C2_    22     1.53414   108.91406  -125.27449
   23    22 S   O    _O2_    23     1.23035   122.12032  -149.06348
   24    20 S   CT   _CB2    32     1.53642   111.42408   112.19180
   25    24 S   HC   HB21    33     1.09434   108.80081    58.22157
   26    24 S   HC   HB22    34     1.09199   110.00891   176.79814
   27    22 S   N    _N3_    24     1.38474   113.51832    38.54879
   28    27 S   H    _HN3    25     1.01513   118.89036    -0.89351
   29    24 S   S    _SG2    35     1.83031   110.91753   -62.53222
   30    27 S   CT   _CA3    26     1.45436   123.46236   174.93473
   31    30 S   HC   HA31    27     1.09523   109.26186    24.28042
   32    30 S   HC   HA32    28     1.09497   107.13115   141.29280
   33    29 S   CT   _C14    36     1.89587   103.03903  -178.90015
   34    30 S   CO3  _C3_    29     1.52916   113.04348   -99.20209
   35    34 S   O2Z  _O31    30     1.26409   115.37340   -45.34463
   36    34 S   O2Z  _O32    31     1.26350   115.00461   135.56573
   37    33 S   CM   _C15    37     1.52524   109.10977   -38.55351
   38    37 S   HC   _H20    38     1.08657   118.11596   109.16168
   39    33 S   CT   _C13    54     1.57904   111.54546  -151.16980
   40    39 S   HC   _H5_    55     1.09089   103.72371   167.87467
   41    37 S   CMA  _C16    39     1.35962   123.14977   -75.27531
   42    41 S   OM   _O35    40     1.25949   129.82597  -175.54385
   43    39 S   CT   _C12    56     1.53055   113.05353   -84.27163
   44    43 S   HC   _H18    57     1.09559   111.35289   177.11812
   45    43 S   HC   _H19    58     1.09613   110.02708    59.93322
   46    41 S   CT   _C17    41     1.55011   115.84200     7.67813
   47    46 S   HC   _H6_    42     1.09944   103.16596    65.51884
   48    43 S   CT   _C11    59     1.56062   111.43562   -62.34791
   49    48 S   HC   _H16    60     1.09360   105.91335   150.41480
   50    48 S   HC   _H17    61     1.09720   107.89945   -96.26075
   51    46 S   CT   _C22    43     1.53911   120.41136   176.57246
   52    51 S   HC   _H23    44     1.09356   112.99849    69.16592
   53    51 S   HC   _H24    45     1.09742   109.93256   -50.99541
   54    48 S   CT   _C10    62     1.56461   115.42208    26.26719
   55    51 S   CO4  _C21    46     1.51797   110.17071  -168.29182
   56    55 S   O    _O33    47     1.23451   120.03522   147.99476
   57    54 S   CT   _C6_    63     1.59946   118.64954   147.49917
   58    57 S   HC   _H4_    64     1.09811   108.31255   112.80729
   59    54 S   CT   _C24   101     1.56050   110.12416   -93.75016
   60    59 S   HC   _H29   102     1.09564   111.88289   179.78239
   61    59 S   HC   _H30   103     1.08675   115.95026    58.16532
   62    59 S   HC   _H31   104     1.09757   109.67035   -61.91469
   63    55 S   CT   _C20    48     1.52521   119.66059   -38.70473
   64    63 S   HC   _H7_    49     1.09648   107.87374   149.18521
   65    57 S   CT   _C7_    65     1.55760   104.34510  -136.37202
   66    65 S   HC   _H12    66     1.09521   111.62401  -130.84495
   67    65 S   HC   _H13    67     1.09516   111.43137   109.14106
   68    57 S   CT   _C5_    74     1.55856   119.21602    -7.21284
   69    68 S   HC   _H3_    75     1.09733   108.58293   -49.01230
   70    63 S   CT   _C19    50     1.53550   116.08512    28.12602
   71    70 S   HC   _H21    51     1.09490   107.48858    85.95974
   72    70 S   HC   _H22    52     1.09696   109.14939  -159.08088
   73    65 S   CT   _C8_    68     1.53282   107.06523    -9.00156
   74    73 S   HC   _H14    69     1.09302   109.16461   153.90239
   75    73 S   HC   _H15    70     1.09312   110.33810   -87.00668
   76    68 S   CT   _C4_    76     1.54273   112.03119  -165.03842
   77    76 S   HC   _H9_    77     1.09500   111.47506   -50.93502
   78    76 S   HC   _H10    78     1.09388   111.49577    69.59510
   79    76 S   HC   _H11    79     1.09430   111.63475  -172.06101
   80    68 S   CT   _C25    80     1.55968   112.13039    70.47866
   81    80 S   HC   _H8_    81     1.09042   109.76679   -46.30816
   82    63 S   OH   _O34   109     1.42065   107.44948   -95.49411
   83    82 S   HO   _H25   110     0.97334   107.18784   -62.70536
   84    46 S   CT   _C18    53     1.57146   112.42008   -49.66867
   85    33 S   CT   _C9_    71     1.58637   106.76629    90.35779
   86    80 S   CT   _C26    82     1.54137   115.35855    75.46069
   87    86 S   HC   _H33    83     1.09498   109.59756    66.55455
   88    86 S   HC   _H34    84     1.09306   109.69333   -51.87203
   89    80 S   OH   _O38    99     1.43117   108.84390  -161.27363
   90    89 S   HO   _H44   100     0.97143   108.38247   -74.38721
   91    85 S   OH   _O36    72     1.46092   108.26252    33.48557
   92    91 S   HO   _H32    73     0.97305   107.04732   -53.60848
   93    86 S   CT   _C27    85     1.53625   111.60687  -173.37753
   94    93 S   HC   _H35    86     1.09879   109.16023    55.34232
   95    93 S   HC   _H36    87     1.09841   109.50732   -58.97855
   96    84 S   CT   _C23   105     1.56206   110.88361   -84.66669
   97    96 S   HC   _H26   106     1.09635   111.25686    57.28358
   98    96 S   HC   _H27   107     1.09155   113.67568   -62.77319
   99    96 S   HC   _H28   108     1.09549   110.99325   177.17763
  100    93 S   CT   _C28    88     1.54214   115.52653   178.08388
  101   100 S   CT   _C29    89     1.53008   112.24526    62.09441
  102   101 S   HC   _H37    90     1.09585   110.75973    54.36221
  103   101 S   HC   _H38    91     1.09626   110.82146   172.11586
  104   101 S   HC   _H39    92     1.09410   112.15220   -67.16308
  105   100 S   CT   _C30    93     1.53033   112.24045   -63.19310
  106   105 S   HC   _H40    94     1.09587   110.76550   -54.18292
  107   105 S   HC   _H41    95     1.09628   110.80699  -171.91869
  108   105 S   HC   _H42    96     1.09400   112.20621    67.36845
  109   100 S   OH   _O37    97     1.43437   106.19994   179.48718
  110   109 S   HO   _H43    98     0.97249   108.09412  -179.92087
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  24   2   1   1  14   5  24   9  11   4  13   6   5  15   7  15
   5   4  10   5   4  19   9   4  23  10   8   3   2   1   8   6
  11   6   5  15   8   9   4   3   5   3   2   7   3   2   1  10
   6   2   1   5   2  11   6   5   2   1   1   1  13   5   4   3
   2   1   1  10   9   4   3   2   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    85    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    84    39    40    43    54    73    85    91  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    70    84    39    40    43    44    45    48    54    57    65    73    74    75    85    91    92    59    96  
   35    36  
   36  
    0  
   38    41    42    46    47    51    84    39    40    43    54    73    85    91  
   41    42    46    39    85  
   40    43    44    45    48    49    50    54    73    85    91    96    97    98    99    41    46    47    51    63    70    71    72    84  
   43    44    45    48    85    96    46    70    84  
   42    46    47    51    52    53    55    70    84    85    96  
   46    47    51    84  
   44    45    48    49    50    54    57    85    59    96    46    70    84  
   45    48    49    50    54    84  
   48    49    50    54    84  
   47    51    52    53    55    56    63    70    71    72    84    96    97    98    99  
   51    52    53    55    70    84    96  
   49    50    54    57    58    65    73    85    91    68    59    60    61    62    84  
   50    54    57    85    59  
   54    57    85    59  
   52    53    55    56    63    64    70    84    96    82  
   53    55    56    63    84  
   55    56    63    84  
   57    58    65    66    67    73    74    75    85    91    92    68    69    76    80    59    60    61    62  
   56    63    64    70    71    72    84    82    83  
   63    64    70    82  
   58    65    66    67    73    74    75    85    91    68    69    76    77    78    79    80    81    86    89    59    60    61    62  
   65    66    67    73    85    68    69    76    80    59  
   60    61    62    65    68    73    85    91  
   61    62    85  
   62    85  
   85  
   64    70    71    72    84    96    82    83  
   70    71    72    84    82    83  
   66    67    73    74    75    85    91    68    69    76    80  
   67    73    74    75    85    68  
   73    74    75    85    68  
   69    76    77    78    79    80    81    86    87    88    93    89    90    73    85  
   76    77    78    79    80    81    86    89  
   71    72    84    96    97    98    99    82    83  
   72    84    96    82  
   84    96    82  
   74    75    85    91    92  
   75    85    91  
   85    91  
   77    78    79    80    81    86    89  
   78    79    80  
   79    80  
   80  
   81    86    87    88    93    94    95   100    89    90  
   86    87    88    93    89    90  
   83    84  
    0  
   85    96    97    98    99  
   91    92  
   87    88    93    94    95   100   101   105   109    89    90  
   88    93    94    95   100    89  
   93    94    95   100    89  
   90    93  
    0  
   92  
    0  
   94    95   100   101   102   103   104   105   106   107   108   109   110  
   95   100   101   105   109  
  100   101   105   109  
   97    98    99  
   98    99  
   99  
    0  
  101   102   103   104   105   106   107   108   109   110  
  102   103   104   105   106   107   108   109   110  
  103   104   105   109  
  104   105   109  
  105   109  
  106   107   108   109   110  
  107   108   109  
  108   109  
  109  
  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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   85   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  110   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    85   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    84   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   317.000  1.522
   55    56   570.000  1.229
   55    63   317.000  1.522
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    82   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    84   268.000  1.529
   84    39   268.000  1.529
   84    96   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    57   268.000  1.529
   54    85   268.000  1.529
   54    59   268.000  1.529
   57    58   340.000  1.090
   57    65   268.000  1.529
   57    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    85   268.000  1.529
   85    91   320.000  1.410
   91    92   553.000  0.945
   68    69   340.000  1.090
   68    76   268.000  1.529
   68    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    86   268.000  1.529
   80    89   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   100   268.000  1.529
  100   101   268.000  1.529
  100   105   268.000  1.529
  100   109   320.000  1.410
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   553.000  0.945
   89    90   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   82    83   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    85    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    39    84    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    85    54    58.35000  112.70000
   33    85    73    58.35000  112.70000
   33    85    91    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    46    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    46    47    45.00000  110.52000
   41    46    51    70.00000  112.02700
   41    46    84    70.00000  112.02700
   46    41    42    85.00000  112.85300
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    55    63.00000  111.10000
   46    84    70    58.35000  112.70000
   46    84    39    58.35000  112.70000
   46    84    96    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    55    56    80.00000  120.40000
   51    55    63    70.00000  116.00000
   53    51    52    33.00000  107.80000
   55    51    52    35.00000  109.50000
   55    51    53    35.00000  109.50000
   55    63    64    35.00000  109.50000
   55    63    70    63.00000  111.10000
   55    63    82    90.00000  109.61100
   63    55    56    80.00000  120.40000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    84    58.35000  112.70000
   63    82    83    55.00000  108.50000
   70    63    64    37.50000  110.70000
   70    84    39    58.35000  112.70000
   70    84    96    58.35000  112.70000
   72    70    71    33.00000  107.80000
   84    46    47    37.50000  110.70000
   84    46    51    58.35000  112.70000
   84    70    71    37.50000  110.70000
   84    70    72    37.50000  110.70000
   84    39    40    37.50000  110.70000
   84    39    43    58.35000  112.70000
   84    96    97    37.50000  110.70000
   84    96    98    37.50000  110.70000
   84    96    99    37.50000  110.70000
   39    33    37    70.00000  112.02700
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    58.35000  112.70000
   43    39    40    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    54    57    58.35000  112.70000
   48    54    85    58.35000  112.70000
   48    54    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    65    58.35000  112.70000
   54    57    68    58.35000  112.70000
   54    85    73    58.35000  112.70000
   54    85    91    50.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    62    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    73    58.35000  112.70000
   57    68    69    37.50000  110.70000
   57    68    76    58.35000  112.70000
   57    68    80    58.35000  112.70000
   65    57    58    37.50000  110.70000
   65    73    74    37.50000  110.70000
   65    73    75    37.50000  110.70000
   65    73    85    58.35000  112.70000
   67    65    66    33.00000  107.80000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    85    91    50.00000  109.50000
   75    73    74    33.00000  107.80000
   85    33    37    70.00000  112.02700
   85    33    39    58.35000  112.70000
   85    54    57    58.35000  112.70000
   85    73    74    37.50000  110.70000
   85    73    75    37.50000  110.70000
   85    91    92    55.00000  108.50000
   68    57    58    37.50000  110.70000
   68    57    65    58.35000  112.70000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    79    37.50000  110.70000
   68    80    81    37.50000  110.70000
   68    80    86    58.35000  112.70000
   68    80    89    50.00000  109.50000
   76    68    69    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    68    69    37.50000  110.70000
   80    68    76    58.35000  112.70000
   80    86    87    37.50000  110.70000
   80    86    88    37.50000  110.70000
   80    86    93    58.35000  112.70000
   80    89    90    55.00000  108.50000
   86    80    81    37.50000  110.70000
   86    93    94    37.50000  110.70000
   86    93    95    37.50000  110.70000
   86    93   100    58.35000  112.70000
   88    86    87    33.00000  107.80000
   93    86    87    37.50000  110.70000
   93    86    88    37.50000  110.70000
   93   100   101    58.35000  112.70000
   93   100   105    58.35000  112.70000
   93   100   109    50.00000  109.50000
   95    93    94    33.00000  107.80000
  100    93    94    37.50000  110.70000
  100    93    95    37.50000  110.70000
  100   101   102    37.50000  110.70000
  100   101   103    37.50000  110.70000
  100   101   104    37.50000  110.70000
  100   105   106    37.50000  110.70000
  100   105   107    37.50000  110.70000
  100   105   108    37.50000  110.70000
  100   109   110    55.00000  108.50000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
  105   100   101    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   100   101    50.00000  109.50000
  109   100   105    50.00000  109.50000
   89    80    81    35.00000  109.50000
   89    80    86    50.00000  109.50000
   59    54    57    58.35000  112.70000
   59    54    85    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   96    84    39    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   82    63    64    35.00000  109.50000
   82    63    70    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    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
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   65    73   -85    54   0.56750  1.0 1.0
   65    73   -85    54  -0.07550 -1.0 2.0
   65    73   -85    54   0.20000  1.0 3.0
   65    73    85    91   0.86500  1.0 1.0
   65    73    85    91  -0.17500 -1.0 2.0
   65    73    85    91   0.20800  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.15000  1.0 3.0
   66    65    73    85   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    75   0.15000  1.0 3.0
   67    65    73    85   0.15000  1.0 3.0
   73    85    91    92  -0.11600  1.0 1.0
   73    85    91    92  -0.09450 -1.0 2.0
   73    85    91    92   0.21250  1.0 3.0
   74    73    85    33   0.15000  1.0 3.0
   74    73    85    54   0.15000  1.0 3.0
   74    73    85    91   0.23400  1.0 3.0
   75    73    85    33   0.15000  1.0 3.0
   75    73    85    54   0.15000  1.0 3.0
   75    73    85    91   0.23400  1.0 3.0
   85    33    37    38   0.00000  1.0 1.0
   85    33    37    41   0.09850  1.0 1.0
   85    33    37    41   0.15250 -1.0 2.0
   85    33    37    41  -0.50650  1.0 3.0
   85    33    39    84   0.56750  1.0 1.0
   85    33    39    84  -0.07550 -1.0 2.0
   85    33    39    84   0.20000  1.0 3.0
   85    33    39    40   0.15000  1.0 3.0
   85    33   -39    43   0.56750  1.0 1.0
   85    33   -39    43  -0.07550 -1.0 2.0
   85    33   -39    43   0.20000  1.0 3.0
   85    54    57    58   0.15000  1.0 3.0
   85    54   -57    65   0.56750  1.0 1.0
   85    54   -57    65  -0.07550 -1.0 2.0
   85    54   -57    65   0.20000  1.0 3.0
   85    54    57    68   0.56750  1.0 1.0
   85    54    57    68  -0.07550 -1.0 2.0
   85    54    57    68   0.20000  1.0 3.0
   85    54    59    60   0.15000  1.0 3.0
   85    54    59    61   0.15000  1.0 3.0
   85    54    59    62   0.15000  1.0 3.0
   68    57    65    66   0.15000  1.0 3.0
   68    57    65    67   0.15000  1.0 3.0
   68    57    65    73   0.56750  1.0 1.0
   68    57    65    73  -0.07550 -1.0 2.0
   68    57    65    73   0.20000  1.0 3.0
   68    80    86    87   0.15000  1.0 3.0
   68    80    86    88   0.15000  1.0 3.0
   68    80    86    93   0.56750  1.0 1.0
   68    80    86    93  -0.07550 -1.0 2.0
   68    80    86    93   0.20000  1.0 3.0
   68    80    89    90  -0.11600  1.0 1.0
   68    80    89    90  -0.09450 -1.0 2.0
   68    80    89    90   0.21250  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    79   0.15000  1.0 3.0
   69    68    80    81   0.15000  1.0 3.0
   69    68    80    86   0.15000  1.0 3.0
   69    68    80    89   0.23400  1.0 3.0
   76    68    80    81   0.15000  1.0 3.0
   76    68    80    86   0.56750  1.0 1.0
   76    68    80    86  -0.07550 -1.0 2.0
   76    68    80    86   0.20000  1.0 3.0
   76    68    80    89   0.86500  1.0 1.0
   76    68    80    89  -0.17500 -1.0 2.0
   76    68    80    89   0.20800  1.0 3.0
   80    68    76    77   0.15000  1.0 3.0
   80    68    76    78   0.15000  1.0 3.0
   80    68    76    79   0.15000  1.0 3.0
   80    86    93    94   0.15000  1.0 3.0
   80    86    93    95   0.15000  1.0 3.0
   80    86    93   100   0.56750  1.0 1.0
   80    86    93   100  -0.07550 -1.0 2.0
   80    86    93   100   0.20000  1.0 3.0
   81    80    86    87   0.15000  1.0 3.0
   81    80    86    88   0.15000  1.0 3.0
   81    80    86    93   0.15000  1.0 3.0
   81    80    89    90   0.19450  1.0 3.0
   86    80    89    90  -0.11600  1.0 1.0
   86    80    89    90  -0.09450 -1.0 2.0
   86    80    89    90   0.21250  1.0 3.0
   86    93   100   101   0.56750  1.0 1.0
   86    93   100   101  -0.07550 -1.0 2.0
   86    93   100   101   0.20000  1.0 3.0
   86    93   100   105   0.56750  1.0 1.0
   86    93   100   105  -0.07550 -1.0 2.0
   86    93   100   105   0.20000  1.0 3.0
   86    93   100   109   0.86500  1.0 1.0
   86    93   100   109  -0.17500 -1.0 2.0
   86    93   100   109   0.20800  1.0 3.0
   87    86    93    94   0.15000  1.0 3.0
   87    86    93    95   0.15000  1.0 3.0
   87    86    93   100   0.15000  1.0 3.0
   88    86    93    94   0.15000  1.0 3.0
   88    86    93    95   0.15000  1.0 3.0
   88    86    93   100   0.15000  1.0 3.0
   93   100   101   102   0.15000  1.0 3.0
   93   100   101   103   0.15000  1.0 3.0
   93   100   101   104   0.15000  1.0 3.0
   93   100   105   106   0.15000  1.0 3.0
   93   100   105   107   0.15000  1.0 3.0
   93   100   105   108   0.15000  1.0 3.0
   93   100   109   110  -0.11600  1.0 1.0
   93   100   109   110  -0.09450 -1.0 2.0
   93   100   109   110   0.21250  1.0 3.0
   94    93   100   101   0.15000  1.0 3.0
   94    93   100   105   0.15000  1.0 3.0
   94    93   100   109   0.23400  1.0 3.0
   95    93   100   101   0.15000  1.0 3.0
   95    93   100   105   0.15000  1.0 3.0
   95    93   100   109   0.23400  1.0 3.0
  101   100   105   106   0.15000  1.0 3.0
  101   100   105   107   0.15000  1.0 3.0
  101   100   105   108   0.15000  1.0 3.0
  101   100   109   110  -0.11600  1.0 1.0
  101   100   109   110  -0.09450 -1.0 2.0
  101   100   109   110   0.21250  1.0 3.0
  105   100   101   102   0.15000  1.0 3.0
  105   100   101   103   0.15000  1.0 3.0
  105   100   101   104   0.15000  1.0 3.0
  105   100   109   110  -0.11600  1.0 1.0
  105   100   109   110  -0.09450 -1.0 2.0
  105   100   109   110   0.21250  1.0 3.0
  109   100   101   102   0.23400  1.0 3.0
  109   100   101   103   0.23400  1.0 3.0
  109   100   101   104   0.23400  1.0 3.0
  109   100   105   106   0.23400  1.0 3.0
  109   100   105   107   0.23400  1.0 3.0
  109   100   105   108   0.23400  1.0 3.0
   89    80    86    87   0.23400  1.0 3.0
   89    80    86    88   0.23400  1.0 3.0
   89    80    86    93   0.86500  1.0 1.0
   89    80    86    93  -0.17500 -1.0 2.0
   89    80    86    93   0.20800  1.0 3.0
   59    54    57    58   0.15000  1.0 3.0
   59    54    57    65   0.56750  1.0 1.0
   59    54    57    65  -0.07550 -1.0 2.0
   59    54    57    65   0.20000  1.0 3.0
   59    54    57    68   0.56750  1.0 1.0
   59    54    57    68  -0.07550 -1.0 2.0
   59    54    57    68   0.20000  1.0 3.0
   59    54    85    33   0.56750  1.0 1.0
   59    54    85    33  -0.07550 -1.0 2.0
   59    54    85    33   0.20000  1.0 3.0
   59    54    85    73   0.56750  1.0 1.0
   59    54    85    73  -0.07550 -1.0 2.0
   59    54    85    73   0.20000  1.0 3.0
   59    54    85    91   0.86500  1.0 1.0
   59    54    85    91  -0.17500 -1.0 2.0
   59    54    85    91   0.20800  1.0 3.0
   96    84    39    33   0.56750  1.0 1.0
   96    84    39    33  -0.07550 -1.0 2.0
   96    84    39    33   0.20000  1.0 3.0
   96    84    39    40   0.15000  1.0 3.0
   96    84    39    43   0.56750  1.0 1.0
   96    84    39    43  -0.07550 -1.0 2.0
   96    84    39    43   0.20000  1.0 3.0
   82    63    70    71   0.23400  1.0 3.0
   82    63    70    72   0.23400  1.0 3.0
   82    63    70    84   0.86500  1.0 1.0
   82    63    70    84  -0.17500 -1.0 2.0
   82    63    70    84   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   46    42    41    37   1.10000 -1.0 2.0
   51    63    55    56  10.50000 -1.0 2.0
END
