* LIGAND DATABASE FILE (OPLS2005)
*
001     104   108    208    342     632
    1     0 S   NP   _N1_     1    29.69997    98.95664   -16.92014
    2     1 S   H    _HN1     2     1.02831    64.28495   155.54702
    3     1 S   H    _H1_     3     1.02776    54.24359   -64.31065
    4     1 S   H    _H2_     4     1.02970    91.46204    47.29433
    5     1 S   CT   _CA1     5     1.50114   157.76742  -122.35204
    6     5 S   HC   _HA1     6     1.09578   105.26660   -13.50623
    7     5 S   CO3  _C1_     7     1.53799   112.34089  -133.70742
    8     7 S   O2Z  _O11     8     1.26348   115.03381   -45.41546
    9     7 S   O2Z  _O12     9     1.26247   114.90730   133.82538
   10     5 S   CT   _CB1    10     1.53091   107.39402   104.32096
   11    10 S   HC   HB11    11     1.09821   109.30097   -51.75562
   12    10 S   HC   HB12    12     1.09828   110.39271    64.73385
   13    10 S   CT   _CG1    13     1.53015   112.73461  -172.97035
   14    13 S   HC   HG11    14     1.09599   110.28937   -62.13197
   15    13 S   HC   HG12    15     1.09630   110.17027    57.08874
   16    13 S   C    _CD1    16     1.51807   112.19118   177.31190
   17    16 S   O    _OE1    17     1.22730   123.19634   -10.47538
   18    16 S   N    _N2_    18     1.38620   111.71206   170.06162
   19    18 S   H    _HN2    19     1.01587   119.05282     1.39662
   20    18 S   CT1  _CA2    20     1.46239   123.35475  -178.21875
   21    20 S   HC   _HA2    21     1.09738   109.36584   -13.51252
   22    20 S   C    _C2_    22     1.53422   108.30195  -129.19693
   23    22 S   O    _O2_    23     1.23010   122.25703  -145.62158
   24    20 S   CT   _CB2    32     1.53663   111.42096   108.56804
   25    24 S   HC   HB21    33     1.09329   109.23353    55.99827
   26    24 S   HC   HB22    34     1.09446   109.77595   174.71513
   27    22 S   N    _N3_    24     1.38514   113.34278    41.72452
   28    27 S   H    _HN3    25     1.01530   118.90913    -0.58751
   29    24 S   S    _SG2    35     1.83030   111.27241   -66.00636
   30    27 S   CT   _CA3    26     1.45452   123.46642   175.12436
   31    30 S   HC   HA31    27     1.09521   109.26098    23.87814
   32    30 S   HC   HA32    28     1.09496   107.11475   140.88838
   33    29 S   CT   _C24    36     1.88946   103.11278   165.29482
   34    30 S   CO3  _C3_    29     1.52926   113.10417   -99.61502
   35    34 S   O2Z  _O31    30     1.26403   115.40231   -44.41934
   36    34 S   O2Z  _O32    31     1.26355   114.98398   136.51347
   37    33 S   CT   _C23    37     1.53806   106.23230   -64.51181
   38    37 S   HC   _H24    38     1.09580   111.52251    78.70494
   39    37 S   HC   _H25    39     1.09785   111.90293   -41.55446
   40    33 S   CT   _C25   101     1.53625   107.35849    55.20420
   41    40 S   HC   _H26   102     1.09540   112.14603    56.54334
   42    40 S   HC   _H27   103     1.09535   111.92859   -64.34223
   43    40 S   HC   _H28   104     1.08870   112.64256   177.58832
   44    37 S   CO4  _C22    40     1.50562   112.40747  -160.46871
   45    44 S   O    _O36    41     1.23067   121.16531  -129.21885
   46    44 S   CT   _C21    42     1.52118   116.11099    55.01230
   47    46 S   HC   _H11    43     1.09641   107.64983    62.22990
   48    46 S   CT   _C20    44     1.55849   110.68923   -59.09630
   49    46 S   OH   _O37    99     1.41920   107.88501   178.33305
   50    49 S   HO   _H29   100     0.97294   107.59935   -56.87410
   51    33 S   CT   _C19    45     1.57848   106.23965   177.53137
   52    51 S   HC   _H10    46     1.10256   103.83668    47.26825
   53    48 S   CT   _C26    95     1.54936   107.88709   -68.61663
   54    53 S   HC   _H30    96     1.08984   113.48705   168.29105
   55    53 S   HC   _H31    97     1.09193   111.78149    47.50233
   56    53 S   HC   _H32    98     1.08930   113.20961   -69.15140
   57    51 S   CT   _C18    47     1.54905   113.83897   -68.11378
   58    57 S   HC   _H22    48     1.09329   111.62320   -74.17540
   59    57 S   HC   _H23    49     1.09536   110.21666    43.19024
   60    57 S   CT   _C17    50     1.52663   111.30788   162.42453
   61    60 S   HC   _H9_    51     1.09745   107.95213   178.16219
   62    60 S   CT   _C15    52     1.52792   114.01305    54.89988
   63    60 S   OS   _O38    64     1.46200   105.86516   -69.46728
   64    62 S   CT   _C16    53     1.53702   115.33276    84.20878
   65    64 S   HC   _H20    54     1.08839   115.63000   -92.18472
   66    64 S   HC   _H21    55     1.09615   111.98602    31.34689
   67    48 S   CT   _C14    85     1.61152   109.64732   167.58616
   68    67 S   HC   _H8_    86     1.09880   102.68102   -56.07543
   69    64 S   OS   _O35    56     1.45138   106.18927   147.58037
   70    69 S   CT   _C11    57     1.45495   108.07651    -8.00594
   71    62 S   CT   _C10    58     1.53098   106.31076  -169.16849
   72    71 S   HC   _H5_    59     1.10493   108.32553   -56.50663
   73    70 S   CT   _C12    81     1.54422   107.70851    96.03996
   74    73 S   HC   _H6_    82     1.09805   108.17269    65.15337
   75    70 S   CT   _C28    91     1.52626   107.96371  -143.43808
   76    75 S   HC   _H35    92     1.09607   110.53138   -57.62366
   77    75 S   HC   _H36    93     1.09278   112.40598  -178.56632
   78    75 S   HC   _H37    94     1.09582   110.91005    59.78366
   79    71 S   CT   _C9_    60     1.51637   113.01757    60.61763
   80    79 S   HC   _H4_    61     1.09198   112.69853    63.05334
   81    73 S   CT   _C13    83     1.54465   112.54495   -54.76028
   82    81 S   HC   _H7_    84     1.09553   108.62027  -158.88750
   83    73 S   OH   _O41    89     1.42400   110.27190  -178.38287
   84    83 S   HO   _H34    90     0.97257   107.80807  -174.68146
   85    79 S   CO4  _C27    62     1.51927   109.58534   -55.88634
   86    85 S   O    _O39    63     1.22763   122.90155  -145.92360
   87    79 S   OS   _O34    65     1.43643   108.59401  -174.70498
   88    81 S   OH   _O40    87     1.42222   107.41133    85.54648
   89    88 S   HO   _H33    88     0.97222   107.94162    65.99380
   90    87 S   CO4  _C8_    66     1.36479   117.50741  -150.83233
   91    90 S   O    _O33    67     1.22409   126.05460    -1.50753
   92    90 S   CT   _C6_    68     1.51828   109.67803   177.75816
   93    92 S   HC   _H3_    69     1.09745   109.14527     7.02926
   94    92 S   CT   _C7_    70     1.52665   108.41995  -110.76248
   95    94 S   HC   _H17    71     1.09577   111.39862   -62.91868
   96    94 S   HC   _H18    72     1.09533   110.88766    56.69084
   97    94 S   HC   _H19    73     1.09488   110.85048   176.65140
   98    92 S   CT   _C5_    74     1.53424   110.98461   126.99458
   99    98 S   HC   _H15    75     1.09687   110.55492    55.03454
  100    98 S   HC   _H16    76     1.09686   109.37527   172.47600
  101    98 S   CT   _C4_    77     1.52297   112.60980   -67.05007
  102   101 S   HC   _H12    78     1.09462   111.02569   -57.20141
  103   101 S   HC   _H13    79     1.09469   110.08412  -176.76130
  104   101 S   HC   _H14    80     1.09384   111.42442    63.74110
  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  13   5   4   3
  19   2   1   1  15   6   5   8   3   2   1   9   4  15   6  21
   4   1  15   6   8   3   2   1  10   5   4  16   6  19   8  12
   5   4  13   5  12  17  15   6  12   6   6   2   1   1   7   4
   5   3   2   1   3   1   6   1   1  11   4  12   8   7   3   2
   1   6   5   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    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    48    51    52    57    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    48    51    52    57    58    59    60    67    53    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    51    52    57    49    40    41    42    43  
   39    44    45    46    51    40  
   44    45    46    51    40  
   41    42    43    44    48    51    52    57  
   42    43    51  
   43    51  
   51  
   45    46    47    48    51    67    53    49    50  
   46    47    48    49  
   47    48    51    52    57    62    81    67    68    53    54    55    56    49    50  
   48    51    67    53    49    50  
   51    52    57    58    59    60    62    64    71    73    81    82    67    68    88    53    54    55    56    49    50  
   50    51    53    67  
    0  
   52    57    58    59    60    61    62    63    81    67    68    53    54    55    56  
   57    58    59    60    67    53  
   54    55    56    57    62    67    68    81  
   55    56    67  
   56    67  
   67  
   58    59    60    61    62    64    71    85    63    67  
   59    60    61    62    63  
   60    61    62    63  
   61    62    64    65    66    69    70    71    72    79    85    86    63    81    67    68  
   62    64    71    85    63    67  
   64    65    66    69    70    71    72    79    80    85    63    87    73    81    82    67    68    88    75  
   87    67    64    71    79    80    85    86  
   65    66    69    70    71    72    79    73    81    67    68    75  
   66    69    70    71    67  
   69    70    71    67  
   68    88    89    83    69    70    71    72    73    74    79    81    82  
   88    71    73    81    82  
   70    71    72    79    73    74    81    83    75    76    77    78  
   71    72    79    80    85    87    73    74    81    82    88    83    84    75    76    77    78  
   72    79    80    85    86    87    90    73    74    81    83    75    76    77    78  
   79    80    85    87    73    75  
   74    81    82    88    89    83    84    75    76    77    78    79  
   81    82    88    83    84    75  
   76    77    78    79    81    83  
   77    78  
   78  
    0  
   80    85    86    87    90    91    92  
   85    86    87    90  
   82    88    89    83    84  
   88    89    83  
   84    88  
    0  
   86    87    90  
   87  
   90    91    92    93    94    98  
   89  
    0  
   91    92    93    94    95    96    97    98    99   100   101  
   92    93    94    98  
   93    94    95    96    97    98    99   100   101   102   103   104  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101   102   103   104  
  100   101   102   103   104  
  101   102   103   104  
  102   103   104  
  103   104  
  104  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
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   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    49   320.000  1.410
   48    51   268.000  1.529
   48    67   268.000  1.529
   48    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    63   320.000  1.410
   62    64   268.000  1.529
   62    71   268.000  1.529
   62    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   320.000  1.410
   70    71   268.000  1.529
   70    73   268.000  1.529
   70    75   268.000  1.529
   71    72   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    85   317.000  1.522
   79    87   320.000  1.410
   85    86   570.000  1.229
   85    63   214.000  1.327
   87    90   214.000  1.327
   90    91   570.000  1.229
   90    92   317.000  1.522
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    98   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   73    74   340.000  1.090
   73    81   268.000  1.529
   73    83   320.000  1.410
   81    82   340.000  1.090
   81    67   268.000  1.529
   81    88   320.000  1.410
   67    68   340.000  1.090
   88    89   553.000  0.945
   83    84   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   49    50   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    80.00000  120.40000
   37    44    46    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    63.00000  111.10000
   44    46    49    90.00000  109.61100
   46    44    45    80.00000  120.40000
   46    48    51    58.35000  112.70000
   46    48    67    58.35000  112.70000
   46    48    53    58.35000  112.70000
   46    49    50    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    57    58.35000  112.70000
   48    67    62    58.35000  112.70000
   48    67    81    58.35000  112.70000
   48    67    68    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    56    37.50000  110.70000
   51    33    37    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    63    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    64    58.35000  112.70000
   60    62    71    58.35000  112.70000
   60    62    67    58.35000  112.70000
   60    63    85    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    69    50.00000  109.50000
   62    71    70    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    79    58.35000  112.70000
   62    67    81    58.35000  112.70000
   62    67    68    37.50000  110.70000
   64    69    70    60.00000  109.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   69    70    71    50.00000  109.50000
   69    70    73    50.00000  109.50000
   69    70    75    50.00000  109.50000
   70    71    72    37.50000  110.70000
   70    71    79    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    81    58.35000  112.70000
   70    73    83    50.00000  109.50000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   71    62    64    58.35000  112.70000
   71    79    80    37.50000  110.70000
   71    79    85    63.00000  111.10000
   71    79    87    50.00000  109.50000
   79    71    72    37.50000  110.70000
   79    85    86    80.00000  120.40000
   79    85    63    81.00000  111.40000
   79    87    90    83.00000  116.90000
   85    79    80    35.00000  109.50000
   63    60    61    35.00000  109.50000
   63    60    62    50.00000  109.50000
   63    85    86    83.00000  123.40000
   87    79    80    35.00000  109.50000
   87    79    85    90.00000  108.74100
   87    90    91    83.00000  123.40000
   87    90    92    81.00000  111.40000
   90    92    93    35.00000  109.50000
   90    92    94    63.00000  111.10000
   90    92    98    63.00000  111.10000
   92    90    91    80.00000  120.40000
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94    97    37.50000  110.70000
   92    98    99    37.50000  110.70000
   92    98   100    37.50000  110.70000
   92    98   101    58.35000  112.70000
   94    92    93    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    92    93    37.50000  110.70000
   98    92    94    58.35000  112.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   73    70    71    58.35000  112.70000
   73    81    82    37.50000  110.70000
   73    81    67    58.35000  112.70000
   73    81    88    50.00000  109.50000
   73    83    84    55.00000  108.50000
   81    73    74    37.50000  110.70000
   81    67    68    37.50000  110.70000
   81    88    89    55.00000  108.50000
   67    48    51    58.35000  112.70000
   67    62    64    58.35000  112.70000
   67    62    71    58.35000  112.70000
   67    81    82    37.50000  110.70000
   88    81    82    35.00000  109.50000
   88    81    67    50.00000  109.50000
   83    73    74    35.00000  109.50000
   83    73    81    50.00000  109.50000
   75    70    71    58.35000  112.70000
   75    70    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   53    48    51    58.35000  112.70000
   53    48    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
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   73    70    75    77   0.15000  1.0 3.0
   73    70    75    78   0.15000  1.0 3.0
   73    81    67    48   0.56750  1.0 1.0
   73    81    67    48  -0.07550 -1.0 2.0
   73    81    67    48   0.20000  1.0 3.0
   73    81   -67    62   0.56750  1.0 1.0
   73    81   -67    62  -0.07550 -1.0 2.0
   73    81   -67    62   0.20000  1.0 3.0
   73    81    67    68   0.15000  1.0 3.0
   73    81    88    89  -0.11600  1.0 1.0
   73    81    88    89  -0.09450 -1.0 2.0
   73    81    88    89   0.21250  1.0 3.0
   74    73    81    82   0.15000  1.0 3.0
   74    73    81    67   0.15000  1.0 3.0
   74    73    81    88   0.23400  1.0 3.0
   74    73    83    84   0.19450  1.0 3.0
   81    73    83    84  -0.11600  1.0 1.0
   81    73    83    84  -0.09450 -1.0 2.0
   81    73    83    84   0.21250  1.0 3.0
   82    81    67    48   0.15000  1.0 3.0
   82    81    67    62   0.15000  1.0 3.0
   82    81    67    68   0.15000  1.0 3.0
   82    81    88    89   0.19450  1.0 3.0
   67    48    51    33   0.56750  1.0 1.0
   67    48    51    33  -0.07550 -1.0 2.0
   67    48    51    33   0.20000  1.0 3.0
   67    48    51    52   0.15000  1.0 3.0
   67    48   -51    57   0.56750  1.0 1.0
   67    48   -51    57  -0.07550 -1.0 2.0
   67    48   -51    57   0.20000  1.0 3.0
   67    48    53    54   0.15000  1.0 3.0
   67    48    53    55   0.15000  1.0 3.0
   67    48    53    56   0.15000  1.0 3.0
   67    62    64    65   0.15000  1.0 3.0
   67    62    64    66   0.15000  1.0 3.0
   67    62    64    69   0.62750  1.0 1.0
   67    62    64    69  -0.30950 -1.0 2.0
   67    62    64    69   0.27300  1.0 3.0
   67    62   -71    70   0.56750  1.0 1.0
   67    62   -71    70  -0.07550 -1.0 2.0
   67    62   -71    70   0.20000  1.0 3.0
   67    62    71    72   0.15000  1.0 3.0
   67    62    71    79   0.56750  1.0 1.0
   67    62    71    79  -0.07550 -1.0 2.0
   67    62    71    79   0.20000  1.0 3.0
   67    81    88    89  -0.11600  1.0 1.0
   67    81    88    89  -0.09450 -1.0 2.0
   67    81    88    89   0.21250  1.0 3.0
   88    81    67    48   0.86500  1.0 1.0
   88    81    67    48  -0.17500 -1.0 2.0
   88    81    67    48   0.20800  1.0 3.0
   88    81    67    62   0.86500  1.0 1.0
   88    81    67    62  -0.17500 -1.0 2.0
   88    81    67    62   0.20800  1.0 3.0
   88    81    67    68   0.23400  1.0 3.0
   83    73    81    82   0.23400  1.0 3.0
   83    73    81    67   0.86500  1.0 1.0
   83    73    81    67  -0.17500 -1.0 2.0
   83    73    81    67   0.20800  1.0 3.0
   83    73    81    88   3.75450  1.0 1.0
   75    70    71    62   0.56750  1.0 1.0
   75    70    71    62  -0.07550 -1.0 2.0
   75    70    71    62   0.20000  1.0 3.0
   75    70    71    72   0.15000  1.0 3.0
   75    70    71    79   0.56750  1.0 1.0
   75    70    71    79  -0.07550 -1.0 2.0
   75    70    71    79   0.20000  1.0 3.0
   75    70    73    74   0.15000  1.0 3.0
   75    70    73    81   0.56750  1.0 1.0
   75    70    73    81  -0.07550 -1.0 2.0
   75    70    73    81   0.20000  1.0 3.0
   75    70    73    83   0.86500  1.0 1.0
   75    70    73    83  -0.17500 -1.0 2.0
   75    70    73    83   0.20800  1.0 3.0
   53    48    51    33   0.56750  1.0 1.0
   53    48    51    33  -0.07550 -1.0 2.0
   53    48    51    33   0.20000  1.0 3.0
   53    48    51    52   0.15000  1.0 3.0
   53    48    51    57   0.56750  1.0 1.0
   53    48    51    57  -0.07550 -1.0 2.0
   53    48    51    57   0.20000  1.0 3.0
   53    48    67    62   0.56750  1.0 1.0
   53    48    67    62  -0.07550 -1.0 2.0
   53    48    67    62   0.20000  1.0 3.0
   53    48    67    81   0.56750  1.0 1.0
   53    48    67    81  -0.07550 -1.0 2.0
   53    48    67    81   0.20000  1.0 3.0
   53    48    67    68   0.15000  1.0 3.0
   49    46    48    51   0.86500  1.0 1.0
   49    46    48    51  -0.17500 -1.0 2.0
   49    46    48    51   0.20800  1.0 3.0
   49    46    48    67   0.86500  1.0 1.0
   49    46    48    67  -0.17500 -1.0 2.0
   49    46    48    67   0.20800  1.0 3.0
   49    46    48    53   0.86500  1.0 1.0
   49    46    48    53  -0.17500 -1.0 2.0
   49    46    48    53   0.20800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44  -0.95700  1.0 1.0
   40    33    37    44  -0.18200 -1.0 2.0
   40    33    37    44   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33    51    57   0.56750  1.0 1.0
   40    33    51    57  -0.07550 -1.0 2.0
   40    33    51    57   0.20000  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
   37    46    44    45  10.50000 -1.0 2.0
   79    63    85    86  10.50000 -1.0 2.0
   87    92    90    91  10.50000 -1.0 2.0
END
