* LIGAND DATABASE FILE (OPLS2005)
*
001      95    99    190    312     570
    1     0 S   NP   _N1_     1    29.24485    94.30112   -18.43437
    2     1 S   H    _HN1     2     1.02781    69.55493   -61.68594
    3     1 S   H    _H1_     3     1.02958   111.46039    40.62886
    4     1 S   H    _H2_     4     1.02841    39.25708   131.66897
    5     1 S   CT   _CA1     5     1.50091   134.58837  -163.14480
    6     5 S   HC   _HA1     6     1.09558   105.36448    21.50443
    7     5 S   CO3  _C1_     7     1.53953   112.10749   -99.04614
    8     7 S   O2Z  _O11     8     1.26373   115.05161   -48.30286
    9     7 S   O2Z  _O12     9     1.26231   114.90196   130.86984
   10     5 S   CT   _CB1    10     1.53067   107.45213   139.63463
   11    10 S   HC   HB11    11     1.09817   109.81353   -48.12384
   12    10 S   HC   HB12    12     1.09846   110.18154    68.41562
   13    10 S   CT   _CG1    13     1.53113   112.62765  -169.19639
   14    13 S   HC   HG11    14     1.09485   110.41700   -50.38753
   15    13 S   HC   HG12    15     1.09570   110.44590    68.58886
   16    13 S   C    _CD1    16     1.51761   110.95724  -171.62147
   17    16 S   O    _OE1    17     1.22802   122.56915   -32.67426
   18    16 S   N    _N2_    18     1.38490   112.32761   147.67796
   19    18 S   H    _HN2    19     1.01565   119.26005     3.30417
   20    18 S   CT1  _CA2    20     1.46108   123.30003  -174.26769
   21    20 S   HC   _HA2    21     1.09730   109.35234   -16.24060
   22    20 S   C    _C2_    22     1.53391   108.19224  -132.06437
   23    22 S   O    _O2_    23     1.23005   122.32068  -144.64108
   24    20 S   CT   _CB2    32     1.53820   111.51244   105.74717
   25    24 S   HC   HB21    33     1.09214   109.85425    58.31724
   26    24 S   HC   HB22    34     1.09429   109.04561   175.96794
   27    22 S   N    _N3_    24     1.38532   113.27736    42.59502
   28    27 S   H    _HN3    25     1.01537   118.89693    -0.49218
   29    24 S   S    _SG2    35     1.83365   111.74173   -65.19126
   30    27 S   CT   _CA3    26     1.45448   123.41469   175.21681
   31    30 S   HC   HA31    27     1.09526   109.19063    25.11351
   32    30 S   HC   HA32    28     1.09494   107.12725   142.10450
   33    29 S   CT   _C13    36     1.92256   103.77810   153.45852
   34    30 S   CO3  _C3_    29     1.52931   113.17296   -98.33762
   35    34 S   O2Z  _O31    30     1.26398   115.42930   -43.96011
   36    34 S   O2Z  _O32    31     1.26360   114.96789   136.99706
   37    33 S   CT   _C14    37     1.59956   102.51553   156.20573
   38    37 S   HC   _H6_    38     1.09707   108.78898   -49.74836
   39    33 S   CT   _C12    71     1.58687   108.87242    41.31062
   40    39 S   HC   _H5_    72     1.09476   109.60014   -78.79943
   41    37 S   CT   _C15    39     1.55233   113.70714    66.39144
   42    41 S   HC   _H14    40     1.09843   109.03503   -90.78817
   43    41 S   HC   _H15    41     1.09491   110.76456   155.14863
   44    37 S   CT   _C9_    59     1.54819   110.21057  -165.95165
   45    44 S   HC   _H4_    60     1.09569   106.76990   -56.84560
   46    39 S   OH   _O35    73     1.43417   110.89147    37.03644
   47    46 S   HO   _H24    74     0.97250   107.84372  -171.64461
   48    41 S   CT   _C16    42     1.52447   115.43315    30.55987
   49    48 S   HC   _H16    43     1.09571   110.41786   -95.70662
   50    48 S   HC   _H17    44     1.09719   109.08398   149.28165
   51    44 S   CT   _C8_    61     1.53298   119.40348  -175.98273
   52    51 S   HC   _H10    62     1.09596   110.11876   -41.85339
   53    51 S   HC   _H11    63     1.09463   111.98089    78.70710
   54    48 S   CM   _C17    45     1.49763   110.26743    25.93540
   55    51 S   CT   _C7_    64     1.54424   104.59943  -159.99385
   56    55 S   HC   _H3_    65     1.09439   109.32083   131.62841
   57    54 S   CM   _C18    46     1.34315   119.94585   111.68989
   58    57 S   HC   _H18    47     1.08457   122.09208     3.17866
   59    55 S   CT   _C6_    66     1.53697   106.83760     6.77008
   60    57 S   CO4  _C19    48     1.47596   121.27302  -174.02270
   61    60 S   O    _O34    49     1.22588   121.29144  -176.23303
   62    44 S   CT   _C10    67     1.55019   113.43724    62.04848
   63    59 S   OS   _O37    79     1.42882   103.84013   -95.53306
   64    59 S   CO4  _C5_    90     1.53544   113.71791   147.08348
   65    64 S   O    _O33    91     1.23247   122.04801   -14.20536
   66    60 S   CM   _C20    50     1.47379   117.49261     5.46874
   67    66 S   HC   _H19    51     1.08357   117.80398   175.65269
   68    62 S   CT   _C11    68     1.54130   106.93415   -61.80870
   69    68 S   HC   _H12    69     1.09222   109.69871   -69.07341
   70    68 S   HC   _H13    70     1.09625   109.17659   175.70769
   71    62 S   CT   _C24    75     1.55521   113.62574    61.10022
   72    71 S   HC   _H25    76     1.09498   112.52382    67.93589
   73    71 S   HC   _H26    77     1.09059   113.74250   -52.31328
   74    71 S   HC   _H27    78     1.09603   110.57444  -172.66342
   75    63 S   CO   _C25    80     1.43155   106.76364   -23.66313
   76    64 S   CT   _C4_    92     1.50829   118.03641   168.53904
   77    76 S   HC   _H7_    93     1.09163   109.64864    86.48846
   78    76 S   HC   _H8_    94     1.09203   110.94719   -35.27157
   79    76 S   HC   _H9_    95     1.09390   109.14933  -153.92742
   80    66 S   CM   _C21    52     1.33811   120.56078    -6.46878
   81    80 S   HC   _H20    53     1.08738   116.51422  -175.29268
   82    55 S   OS   _O36    81     1.42446   111.25098  -108.88921
   83    75 S   CT   _C26    82     1.52619   109.48089  -103.31101
   84    83 S   HC   _H28    83     1.09497   111.09265    62.90722
   85    83 S   HC   _H29    84     1.09502   111.22217   -56.46635
   86    83 S   HC   _H30    85     1.09527   111.21299  -178.40787
   87    75 S   CT   _C27    86     1.52212   109.06527   135.88917
   88    87 S   HC   _H31    87     1.09410   110.41957   -63.61893
   89    87 S   HC   _H32    88     1.09517   111.35972   178.06913
   90    87 S   HC   _H33    89     1.09472   111.40434    55.85658
   91    33 S   CT   _C22    54     1.65007   111.20969   -85.50922
   92    91 S   CT   _C23    55     1.55426   114.82264    22.01746
   93    92 S   HC   _H21    56     1.09288   112.96015   -61.04611
   94    92 S   HC   _H22    57     1.09983   111.41505  -179.17837
   95    92 S   HC   _H23    58     1.09368   112.09070    62.44538
  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
  27   2   1   1  24  10  15   7  12   6   5  20   8   6   1   9
   4   3  12   6   5  12  13   6   8   4  19   6   3  13  15   9
   4   5   3   7   2   1   3   2   1   1   9   3   2   1   1   6
   2   8   7   3   2   1   3   2   1   1   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    91    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    54    80    91    92    44    68    39    40    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    54    57    66    80    81    91    92    93    94    95    44    45    51    62    68    69    70    39    40    46    47  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    80    91    92    44    45    51    52    53    55    59    62    68    39    40    46    71  
   41    42    43    48    91    44    45    51    62    39  
   40    46    47    71    41    44    54    59    62    68    69    70    80    91    92  
   46    47    62    68    69    70    91  
   42    43    48    49    50    54    57    91    44    45    51    62  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    55    56    59    62    68    69    70    71    72    73    74    63    82    64    48    91  
   51    52    53    55    59    62    68    71  
   47    62    68    69    70    91  
   68  
   49    50    54    57    58    60    80    91    92  
   50    54    57    91  
   54    57    91  
   52    53    55    56    59    62    68    71    63    75    82    64  
   53    55    56    59    62    82  
   55    56    59    62    82  
   57    58    60    61    66    80    81    91    92    93    94    95  
   56    59    62    68    71    63    75    82    83    87    64    65    76  
   59    62    63    75    82    64  
   58    60    61    66    67    80    91    92  
   60    61    66    91  
   62    68    69    70    71    72    73    74    63    75    82    83    87    64    65    76    77    78    79  
   61    66    67    80    81    91  
   66    67    80  
   68    69    70    71    72    73    74    63    75    82    64    65    76  
   75    82    83    84    85    86    87    88    89    90    64    65    76    68    71  
   65    76    77    78    79    68    71    75    82  
   76    77    78    79  
   67    80    81    91    92  
   80    81    91  
   69    70    71    72    73    74    91  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
   82    83    84    85    86    87    88    89    90  
   77    78    79  
   78    79  
   79  
    0  
   81    91    92    93    94    95  
   91    92  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94    95  
   93    94    95  
   94    95  
   95  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   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    91   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    57   549.000  1.340
   54    91   317.000  1.510
   57    58   340.000  1.080
   57    60   320.000  1.462
   60    61   570.000  1.229
   60    66   320.000  1.462
   66    67   340.000  1.080
   66    80   549.000  1.340
   80    81   340.000  1.080
   80    91   317.000  1.510
   91    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    62   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    82   320.000  1.410
   59    62   268.000  1.529
   59    63   320.000  1.410
   59    64   317.000  1.522
   62    68   268.000  1.529
   62    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   63    75   320.000  1.380
   75    82   320.000  1.380
   75    83   250.000  1.527
   75    87   250.000  1.527
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   64    65   570.000  1.229
   64    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    91    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    91    54    70.00000  112.02700
   33    91    80    70.00000  112.02700
   33    91    92    58.35000  112.70000
   33    39    68    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   37    44    62    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    70.00000  112.02700
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    57    70.00000  124.00000
   48    54    91    65.00000  117.92700
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    57    58    35.00000  120.00000
   54    57    60    65.00000  118.96000
   54    91    80    70.00000  110.12100
   54    91    92    70.00000  112.02700
   57    60    61    80.00000  123.72100
   57    60    66    65.00000  118.65900
   60    57    58    40.00000  117.72500
   60    66    67    40.00000  117.72500
   60    66    80    65.00000  118.96000
   66    60    61    80.00000  123.72100
   66    80    81    35.00000  120.00000
   66    80    91    70.00000  124.00000
   80    66    67    35.00000  120.00000
   80    91    92    70.00000  112.02700
   91    33    37    58.35000  112.70000
   91    54    57    70.00000  124.00000
   91    80    81    35.00000  117.00000
   91    92    93    37.50000  110.70000
   91    92    94    37.50000  110.70000
   91    92    95    37.50000  110.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    55    58.35000  112.70000
   44    62    59    58.35000  112.70000
   44    62    68    58.35000  112.70000
   44    62    71    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    82    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    59    62    58.35000  112.70000
   55    59    63    50.00000  109.50000
   55    59    64    63.00000  111.10000
   55    82    75    60.00000  109.50000
   59    55    56    37.50000  110.70000
   59    62    68    58.35000  112.70000
   59    62    71    58.35000  112.70000
   59    63    75    60.00000  109.50000
   59    64    65    80.00000  120.40000
   59    64    76    70.00000  116.00000
   62    44    45    37.50000  110.70000
   62    44    51    58.35000  112.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    39    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    71    74    37.50000  110.70000
   68    39    40    37.50000  110.70000
   68    39    46    50.00000  109.50000
   70    68    69    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    91    58.35000  112.70000
   39    68    69    37.50000  110.70000
   39    68    70    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   71    62    68    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   63    59    62    50.00000  109.50000
   63    75    82    92.60000  111.55000
   63    75    83    90.00000  108.56700
   63    75    87    90.00000  108.56700
   75    83    84    45.00000  108.72000
   75    83    85    45.00000  108.72000
   75    83    86    45.00000  108.72000
   75    87    88    45.00000  108.72000
   75    87    89    45.00000  108.72000
   75    87    90    45.00000  108.72000
   82    55    56    35.00000  109.50000
   82    55    59    50.00000  109.50000
   83    75    82    90.00000  108.56700
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    75    82    90.00000  108.56700
   87    75    83    65.00000  112.71400
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   64    59    62    63.00000  111.10000
   64    59    63    90.00000  108.74100
   64    76    77    35.00000  109.50000
   64    76    78    35.00000  109.50000
   64    76    79    35.00000  109.50000
   76    64    65    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    91   0.01700  1.0 1.0
   24    29    33    91  -0.23550 -1.0 2.0
   24    29    33    91   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    91    54   0.56750  1.0 1.0
   29    33    91    54  -0.07550 -1.0 2.0
   29    33    91    54   0.20000  1.0 3.0
   29    33    91    80   0.56750  1.0 1.0
   29    33    91    80  -0.07550 -1.0 2.0
   29    33    91    80   0.20000  1.0 3.0
   29    33    91    92   0.44750  1.0 1.0
   29    33    91    92  -0.17800 -1.0 2.0
   29    33    91    92   0.20200  1.0 3.0
   29    33    39    68   0.44750  1.0 1.0
   29    33    39    68  -0.17800 -1.0 2.0
   29    33    39    68   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
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   64    59    63    75   0.47450  1.0 3.0
   65    64    76    77   0.00000  1.0 1.0
   65    64    76    78   0.00000  1.0 1.0
   65    64    76    79   0.00000  1.0 1.0
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
   48    91    54    57   1.10000 -1.0 2.0
   60    58    57    54   1.10000 -1.0 2.0
   57    66    60    61  10.50000 -1.0 2.0
   60    67    66    80   1.10000 -1.0 2.0
   91    81    80    66   1.10000 -1.0 2.0
   59    76    64    65  10.50000 -1.0 2.0
END
