* LIGAND DATABASE FILE (OPLS2005)
*
001     112   117    218    350     642
    1     0 S   NP   _N1_     1    28.74470    95.65477   -23.60513
    2     1 S   H    _HN1     2     1.02782   103.79774   -86.99430
    3     1 S   H    _H1_     3     1.02951    77.00549    19.02833
    4     1 S   H    _H2_     4     1.02830    33.83249   171.37199
    5     1 S   CT   _CA1     5     1.50111   137.63371   125.16166
    6     5 S   HC   _HA1     6     1.09572   105.22071    84.66011
    7     5 S   CO3  _C1_     7     1.53801   112.41700   -35.59601
    8     7 S   O2Z  _O11     8     1.26370   115.00957   -43.47611
    9     7 S   O2Z  _O12     9     1.26240   114.94618   135.69439
   10     5 S   CT   _CB1    10     1.53089   107.42547  -157.36464
   11    10 S   HC   HB11    11     1.09829   109.40607   -50.00245
   12    10 S   HC   HB12    12     1.09815   110.42699    66.60524
   13    10 S   CT   _CG1    13     1.52982   112.59032  -171.00968
   14    13 S   HC   HG11    14     1.09590   110.55997   -64.29977
   15    13 S   HC   HG12    15     1.09666   109.86143    54.91959
   16    13 S   C    _CD1    16     1.51800   112.30993   175.36840
   17    16 S   O    _OE1    17     1.22722   123.32213     3.31009
   18    16 S   N    _N2_    18     1.38643   111.60145  -176.79057
   19    18 S   H    _HN2    19     1.01587   118.93278     1.89527
   20    18 S   CT1  _CA2    20     1.46196   123.41782   178.45098
   21    20 S   HC   _HA2    21     1.09735   109.40067    -1.24411
   22    20 S   C    _C2_    22     1.53481   108.54398  -116.74573
   23    22 S   O    _O2_    23     1.23047   122.30397  -147.92313
   24    20 S   CT   _CB2    32     1.53321   111.47340   120.79466
   25    24 S   HC   HB21    33     1.09487   109.92660    55.95614
   26    24 S   HC   HB22    34     1.09519   110.25768   174.94879
   27    22 S   N    _N3_    24     1.38340   113.62429    39.54434
   28    27 S   H    _HN3    25     1.01608   119.55223    -3.48740
   29    24 S   S    _SG2    35     1.82773   111.46871   -65.44525
   30    27 S   CT   _CA3    26     1.45286   123.16077   177.03225
   31    30 S   HC   HA31    27     1.09553   107.52005   -64.12210
   32    30 S   HC   HA32    28     1.09559   107.96258    52.29760
   33    29 S   CT   _C18    36     1.83771    99.55388   178.19268
   34    33 S   HC   _H5_    37     1.09753   106.55569    41.61549
   35    30 S   CO3  _C3_    29     1.52948   114.11697   174.28327
   36    35 S   O2Z  _O31    30     1.26372   116.06621    -0.80308
   37    35 S   O2Z  _O32    31     1.26431   114.40953   179.25717
   38    33 S   CT   _C19    38     1.54850   110.23540   161.04858
   39    38 S   HC   _H14    39     1.10039   111.11070    24.37658
   40    33 S   CT   _C17    85     1.53258   112.37893   -77.93710
   41    40 S   HC   _H4_    86     1.09385   112.80360    48.03514
   42    38 S   CO4  _C20    40     1.51221   110.98893   -92.18861
   43    42 S   O    _O34    41     1.22651   123.09653    22.05181
   44    40 S   CO4  _C21    87     1.52457   104.29489   166.57582
   45    44 S   O    _O35    88     1.22751   121.58334  -119.67341
   46    42 S   CA   _C12    42     1.47485   116.53772  -161.30636
   47    62 S   CT   _C22    89     1.55716   115.76584    41.46742
   48    46 S   CA   _C13    43     1.39554   118.43890    13.28973
   49    47 S   OS   _O36    90     1.44200   104.56350  -162.06973
   50    47 S   CT   _C26   100     1.53494   115.81412    76.93992
   51    50 S   HC   _H21   101     1.09686   109.19674    56.55542
   52    50 S   HC   _H22   102     1.09152   110.12487   -59.82013
   53    48 S   CA   _C8_    44     1.41348   119.76785  -178.43003
   54    48 S   OS   _O33    78     1.36919   123.78072     1.24301
   55    75 S   CT   _C23    91     1.56163   102.66597   161.55693
   56    50 S   CM   _C27   103     1.50904   114.66022   174.05492
   57    56 S   HC   _H23   104     1.09057   113.36121   -69.38559
   58    53 S   CA   _C9_    45     1.41240   119.42145     0.44499
   59    53 S   CT   _C7_    64     1.51946   120.81643   179.59170
   60    59 S   HC   _H10    65     1.09543   109.24735    38.72121
   61    59 S   HC   _H11    66     1.09383   110.21603   151.12424
   62    38 S   CT   _C14    79     1.54550   110.83068   144.13296
   63    55 S   CT   _C24    92     1.53426   112.05219    93.43223
   64    63 S   HC   _H15    93     1.09637   110.87869  -173.27658
   65    63 S   HC   _H16    94     1.09511   111.22946    65.93758
   66    63 S   HC   _H17    95     1.08790   112.40152   -55.27739
   67    55 S   CT   _C25    96     1.53391   116.62574  -142.98155
   68    67 S   HC   _H18    97     1.09701   110.63406  -177.30703
   69    67 S   HC   _H19    98     1.09479   112.09242    66.07040
   70    67 S   HC   _H20    99     1.09470   111.59982   -57.05574
   71    56 S   CM   _C28   105     1.34506   129.46956   112.14397
   72    58 S   CA   _C10    46     1.39817   120.87071    -0.93125
   73    59 S   CM   _C6_    67     1.50385   112.36918   -82.63828
   74    73 S   HC   _H9_    68     1.08999   114.09234    66.92766
   75    62 S   CT   _C15    80     1.56614   110.71715   -67.27669
   76    75 S   HC   _H3_    81     1.09649   112.70107   -79.88072
   77    71 S   CO4  _C30   106     1.48791   122.09528    -2.75392
   78    77 S   O    _O37   107     1.22636   122.74042   176.74472
   79    77 S   HC   _H27   108     1.09904   116.81087    -3.72878
   80    71 S   CT   _C29   109     1.50054   122.05395   178.33705
   81    80 S   HC   _H24   110     1.09509   110.44106   120.22880
   82    80 S   HC   _H25   111     1.09519   112.15536     0.30326
   83    80 S   HC   _H26   112     1.09504   110.42428  -119.65475
   84    46 S   CA   _C11    47     1.40614   121.41082  -165.59985
   85    72 S   CM   _C31    50     1.45908   119.31476   179.77100
   86    85 S   HC   _H29    51     1.08354   120.32159  -177.22230
   87    73 S   CM   _C5_    69     1.34687   128.27540  -114.01611
   88    75 S   CT   _C16    82     1.54952   108.08805    41.04305
   89    88 S   HC   _H12    83     1.09714   108.58618   -96.96961
   90    88 S   HC   _H13    84     1.09214   112.95530   147.75800
   91    84 S   OH   _O38    48     1.37357   121.93067    -1.20901
   92    91 S   HO   _H28    49     0.97338   109.43394    -2.26053
   93    85 S   CM   _C32    52     1.33390   118.88495     3.47790
   94    93 S   HC   _H30    53     1.08715   118.94937   178.95489
   95    87 S   CT   _C4_    70     1.50632   120.28192  -179.58410
   96    95 S   HC   _H6_    71     1.09497   110.23727   120.18342
   97    95 S   HC   _H7_    72     1.09499   110.23368  -120.00659
   98    95 S   HC   _H8_    73     1.09513   112.45657     0.08393
   99    87 S   CT   _C36    74     1.50240   125.56692     0.68214
  100    99 S   HC   _H37    75     1.09517   109.98636   119.87957
  101    99 S   HC   _H38    76     1.09517   110.02356  -120.93805
  102    99 S   HC   _H39    77     1.09115   113.83019    -0.54965
  103    93 S   CT   _C33    54     1.50509   122.79629    -0.39664
  104    58 S   OS   _O39    55     1.37004   116.49940   178.10266
  105   103 S   CT   _C34    56     1.53289   109.58954   114.11306
  106   105 S   HC   _H31    57     1.09643   110.83671   179.61184
  107   105 S   HC   _H32    58     1.09557   112.00352    58.48264
  108   105 S   HC   _H33    59     1.09671   110.90802   -62.60476
  109   103 S   CT   _C35    60     1.53326   109.24017  -125.73490
  110   109 S   HC   _H34    61     1.09628   110.87597  -179.08293
  111   109 S   HC   _H35    62     1.09676   110.85815    63.10802
  112   109 S   HC   _H36    63     1.09560   112.06015   -58.06624
  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  10   5   4   3
  17   8   2   1   1  18   8  14   7  11   4  14   5  11  16  13
  18  11   5   4  14   8  14  10   3  14   9   4   3   7  10   4
   3   2   6   3   2   1   7   9  10   3   4   3   6   2   1   3
   2   1   1   6   8   3   8   2   1   1   1   1  11   4   7   3
   2   1   3   2   1   1   9   8   7   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    62    88    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    54    62    75    88    89    90    40    41    44    45    47  
   38    39    42    62    88    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    48    84    54    62    75    76    88    40    41    44    47    49    55    50  
   42    43    46    54    62    75    40    47  
   41    44    45    47    49    55    50    42    62    75    76    88    89    90  
   44    45    47    75    88    89    90  
   43    46    48    53    72    84    91    54    62    75    47  
   46    48    84    62  
   45    47    49    55    50    51    52    56    54    62    75    88    89    90  
   47    49    50    62    88  
   48    53    58    72    84    91    92    85    59    54    62  
   49    55    63    67    50    51    52    56    57    71    48    54    62    75    76    88  
   53    58    72    84    91   104    59    60    61    73    54    62    75  
   55    63    64    65    66    67    68    69    70    50    51    52    56    54    62    75    76    88  
   51    52    56    57    71    77    80    54    55    62    75  
   52    56    57    71    62  
   56    57    71    62  
   58    72    84    85   103   104    59    60    61    73    74    87    54    62  
   62    75    76    88    55    58    59    84  
   63    64    65    66    67    68    69    70    62    75    76    88    89    90  
   57    71    77    78    79    80    81    82    83    62  
   71    77    80  
   72    84    91    85    86    93   103   104   105   109    59    60    61    73  
   60    61    73    74    87    95    99    72   104  
   61    73    74    87  
   73    74    87  
   75    76    88    89    90    63    67  
   64    65    66    67    68    69    70    75    76    88  
   65    66    67    75  
   66    67    75  
   67    75  
   68    69    70    75    76    88  
   69    70    75  
   70    75  
   75  
   77    78    79    80    81    82    83  
   84    91    92    85    86    93    94   103   104  
   74    87    95    96    97    98    99   100   101   102  
   87    95    99  
   76    88    89    90  
   88    89    90  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   91    92    85    86    93   104  
   86    93    94   103   104   105   109    91  
   93    94   103  
   95    96    97    98    99   100   101   102  
   89    90  
   90  
    0  
   92  
    0  
   94   103   104   105   106   107   108   109   110   111   112  
  103   104   105   109  
   96    97    98    99   100   101   102  
   97    98    99  
   98    99  
   99  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108   109   110   111   112  
  105   106   107   108   109   110   111   112  
  106   107   108   109   110   111   112  
  107   108   109  
  108   109  
  109  
  110   111   112  
  111   112  
  112  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.005000   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   79   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    62   268.000  1.529
   42    43   570.000  1.229
   42    46   310.000  1.470
   46    48   469.000  1.400
   46    84   469.000  1.400
   48    53   469.000  1.400
   48    54   450.000  1.364
   53    58   469.000  1.400
   53    59   317.000  1.510
   58    72   469.000  1.400
   58   104   450.000  1.364
   72    84   469.000  1.400
   72    85   320.000  1.460
   84    91   450.000  1.364
   91    92   553.000  0.945
   85    86   340.000  1.080
   85    93   549.000  1.340
   93    94   340.000  1.080
   93   103   317.000  1.510
  103   104   320.000  1.410
  103   105   268.000  1.529
  103   109   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    73   317.000  1.510
   73    74   340.000  1.080
   73    87   549.000  1.340
   87    95   317.000  1.510
   87    99   317.000  1.510
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   54    62   320.000  1.410
   62    75   268.000  1.529
   62    47   268.000  1.529
   75    76   340.000  1.090
   75    88   268.000  1.529
   75    55   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    40   268.000  1.529
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    49   320.000  1.410
   47    50   268.000  1.529
   49    55   320.000  1.410
   55    63   268.000  1.529
   55    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   317.000  1.510
   56    57   340.000  1.080
   56    71   549.000  1.340
   71    77   320.000  1.462
   71    80   317.000  1.510
   77    78   570.000  1.229
   77    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    62    58.35000  112.70000
   33    40    88    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    46    65.00000  115.47100
   38    62    54    50.00000  109.50000
   38    62    75    58.35000  112.70000
   38    62    47    58.35000  112.70000
   42    38    39    35.00000  109.50000
   42    46    48    60.00000  119.52600
   42    46    84    60.00000  119.52600
   46    42    43    75.00000  123.78400
   46    48    53    63.00000  120.00000
   46    48    54    70.00000  120.00000
   46    84    72    63.00000  120.00000
   46    84    91    70.00000  120.00000
   48    53    58    63.00000  120.00000
   48    53    59    70.00000  120.00000
   48    54    62    75.00000  111.00000
   53    58    72    63.00000  120.00000
   53    58   104    70.00000  120.00000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    73    70.00000  112.99600
   58    72    84    63.00000  120.00000
   58    72    85    60.00000  120.93500
   58   104   103    75.00000  111.00000
   72    84    91    70.00000  120.00000
   72    85    86    40.00000  117.26300
   72    85    93    60.00000  123.20500
   84    46    48    63.00000  120.00000
   84    91    92    35.00000  113.00000
   85    72    84    60.00000  120.93500
   85    93    94    35.00000  120.00000
   85    93   103    70.00000  124.00000
   93    85    86    35.00000  120.00000
   93   103   104    85.00000  110.90400
   93   103   105    70.00000  112.02700
   93   103   109    70.00000  112.02700
  103    93    94    35.00000  117.00000
  103   105   106    37.50000  110.70000
  103   105   107    37.50000  110.70000
  103   105   108    37.50000  110.70000
  103   109   110    37.50000  110.70000
  103   109   111    37.50000  110.70000
  103   109   112    37.50000  110.70000
  104    58    72    70.00000  120.00000
  105   103   104    50.00000  109.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   103   104    50.00000  109.50000
  109   103   105    58.35000  112.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   59    53    58    70.00000  120.00000
   59    73    74    35.00000  117.00000
   59    73    87    70.00000  124.00000
   61    59    60    33.00000  107.80000
   73    59    60    35.00000  109.50000
   73    59    61    35.00000  109.50000
   73    87    95    70.00000  124.00000
   73    87    99    70.00000  124.00000
   87    73    74    35.00000  120.00000
   87    95    96    35.00000  109.50000
   87    95    97    35.00000  109.50000
   87    95    98    35.00000  109.50000
   87    99   100    35.00000  109.50000
   87    99   101    35.00000  109.50000
   87    99   102    35.00000  109.50000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   99    87    95    65.00000  117.92700
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   54    48    53    70.00000  120.00000
   54    62    75    50.00000  109.50000
   54    62    47    50.00000  109.50000
   62    38    39    37.50000  110.70000
   62    38    42    63.00000  111.10000
   62    75    76    37.50000  110.70000
   62    75    88    58.35000  112.70000
   62    75    55    58.35000  112.70000
   62    47    44    63.00000  111.10000
   62    47    49    50.00000  109.50000
   62    47    50    58.35000  112.70000
   75    88    89    37.50000  110.70000
   75    88    90    37.50000  110.70000
   75    88    40    58.35000  112.70000
   75    55    49    50.00000  109.50000
   75    55    63    58.35000  112.70000
   75    55    67    58.35000  112.70000
   88    75    76    37.50000  110.70000
   88    40    41    37.50000  110.70000
   88    40    44    63.00000  111.10000
   90    88    89    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    88    89    37.50000  110.70000
   40    88    90    37.50000  110.70000
   40    44    45    80.00000  120.40000
   40    44    47    70.00000  116.00000
   44    40    41    35.00000  109.50000
   44    47    49    90.00000  108.74100
   44    47    50    63.00000  111.10000
   47    62    75    58.35000  112.70000
   47    44    45    80.00000  120.40000
   47    49    55    60.00000  109.50000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    56    70.00000  112.02700
   49    55    63    50.00000  109.50000
   49    55    67    50.00000  109.50000
   55    75    76    37.50000  110.70000
   55    75    88    58.35000  112.70000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    70    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    55    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   50    47    49    50.00000  109.50000
   50    56    57    35.00000  117.00000
   50    56    71    70.00000  124.00000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    71    77    65.00000  118.96000
   56    71    80    70.00000  124.00000
   71    56    57    35.00000  120.00000
   71    77    78    80.00000  123.72100
   71    77    79    40.00000  115.75000
   71    80    81    35.00000  109.50000
   71    80    82    35.00000  109.50000
   71    80    83    35.00000  109.50000
   79    77    78    35.00000  123.00000
   80    71    77    65.00000  116.34900
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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
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   40    33    38    42  -0.95700  1.0 1.0
   40    33    38    42  -0.18200 -1.0 2.0
   40    33    38    42   0.29450  1.0 3.0
   40    33   -38    62   0.56750  1.0 1.0
   40    33   -38    62  -0.07550 -1.0 2.0
   40    33   -38    62   0.20000  1.0 3.0
   40    44   -47    62   0.60050  1.0 1.0
   40    44   -47    62   0.05600 -1.0 2.0
   40    44   -47    62   0.26150  1.0 3.0
   40    44    47    49   0.55300  1.0 1.0
   40    44    47    49   1.25850 -1.0 2.0
   40    44    47    49  -0.23600  1.0 3.0
   40    44    47    50   0.60050  1.0 1.0
   40    44    47    50   0.05600 -1.0 2.0
   40    44    47    50   0.26150  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    47   0.00000  1.0 1.0
   44    47    49    55  -1.11000  1.0 1.0
   44    47    49    55   0.50250 -1.0 2.0
   44    47    49    55   0.47450  1.0 3.0
   44    47    50    51  -0.11250  1.0 3.0
   44    47    50    52  -0.11250  1.0 3.0
   44    47    50    56  -0.98800  1.0 1.0
   44    47    50    56   0.48800 -1.0 2.0
   44    47    50    56   0.76800  1.0 3.0
   45    44    47    62   0.30150 -1.0 2.0
   45    44    47    49   0.30150 -1.0 2.0
   45    44    47    50   0.30150 -1.0 2.0
   47    62    75    76   0.15000  1.0 3.0
   47    62   -75    88   0.56750  1.0 1.0
   47    62   -75    88  -0.07550 -1.0 2.0
   47    62   -75    88   0.20000  1.0 3.0
   47    62   -75    55   0.56750  1.0 1.0
   47    62   -75    55  -0.07550 -1.0 2.0
   47    62   -75    55   0.20000  1.0 3.0
   47    49   -55    75   0.06250  1.0 1.0
   47    49   -55    75  -0.01100 -1.0 2.0
   47    49   -55    75   0.28050  1.0 3.0
   47    49    55    63   0.06250  1.0 1.0
   47    49    55    63  -0.01100 -1.0 2.0
   47    49    55    63   0.28050  1.0 3.0
   47    49    55    67   0.06250  1.0 1.0
   47    49    55    67  -0.01100 -1.0 2.0
   47    49    55    67   0.28050  1.0 3.0
   47    50    56    57   0.00000  1.0 1.0
   47    50    56    71   0.09850  1.0 1.0
   47    50    56    71   0.15250 -1.0 2.0
   47    50    56    71  -0.50650  1.0 3.0
   49    47    50    51   0.23400  1.0 3.0
   49    47    50    52   0.23400  1.0 3.0
   49    47    50    56   0.61850  1.0 1.0
   49    47    50    56  -0.22750 -1.0 2.0
   49    47    50    56   0.15300  1.0 3.0
   49    55    63    64   0.23400  1.0 3.0
   49    55    63    65   0.23400  1.0 3.0
   49    55    63    66   0.23400  1.0 3.0
   49    55    67    68   0.23400  1.0 3.0
   49    55    67    69   0.23400  1.0 3.0
   49    55    67    70   0.23400  1.0 3.0
   55    75    88    89   0.15000  1.0 3.0
   55    75    88    90   0.15000  1.0 3.0
   55    75    88    40   0.56750  1.0 1.0
   55    75    88    40  -0.07550 -1.0 2.0
   55    75    88    40   0.20000  1.0 3.0
   63    55    67    68   0.15000  1.0 3.0
   63    55    67    69   0.15000  1.0 3.0
   63    55    67    70   0.15000  1.0 3.0
   67    55    63    64   0.15000  1.0 3.0
   67    55    63    65   0.15000  1.0 3.0
   67    55    63    66   0.15000  1.0 3.0
   50    47    49    55   0.06250  1.0 1.0
   50    47    49    55  -0.01100 -1.0 2.0
   50    47    49    55   0.28050  1.0 3.0
   50    56    71    77   7.00000 -1.0 2.0
   50    56    71    80   7.00000 -1.0 2.0
   51    50    56    57   0.33100  1.0 3.0
   51    50    56    71   0.00000  1.0 1.0
   52    50    56    57   0.33100  1.0 3.0
   52    50    56    71   0.00000  1.0 1.0
   56    71    77    78   1.00000 -1.0 2.0
   56    71    77    79  -0.79650  1.0 1.0
   56    71    77    79   1.60950 -1.0 2.0
   56    71    77    79  -0.26250  1.0 3.0
   56    71    80    81   0.00000  1.0 1.0
   56    71    80    82   0.00000  1.0 1.0
   56    71    80    83   0.00000  1.0 1.0
   57    56    71    77   7.00000 -1.0 2.0
   57    56    71    80   7.00000 -1.0 2.0
   77    71    80    81   0.15000  1.0 3.0
   77    71    80    82   0.15000  1.0 3.0
   77    71    80    83   0.15000  1.0 3.0
   80    71    77    78  -0.64400  1.0 1.0
   80    71    77    78   0.26850 -1.0 2.0
   80    71    77    79  -0.07900  1.0 1.0
   80    71    77    79   0.77700 -1.0 2.0
   80    71    77    79   0.13200  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
   36    30    35    37  10.50000 -1.0 2.0
   38    46    42    43  10.50000 -1.0 2.0
   48    84    46    42   4.00000 -1.0 2.0
   53    54    48    46   4.00000 -1.0 2.0
   58    59    53    48   4.00000 -1.0 2.0
   72   104    58    53   4.00000 -1.0 2.0
   84    85    72    58   4.00000 -1.0 2.0
   72    91    84    46   4.00000 -1.0 2.0
   72    86    85    93   1.10000 -1.0 2.0
  103    94    93    85   1.10000 -1.0 2.0
   59    74    73    87  15.00000 -1.0 2.0
   95    99    87    73  15.00000 -1.0 2.0
   40    47    44    45  10.50000 -1.0 2.0
   50    57    56    71  15.00000 -1.0 2.0
   77    80    71    56  15.00000 -1.0 2.0
   71    79    77    78  10.50000 -1.0 2.0
END
