* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    167    245     484
    1     0 S   NP   _N1_     1    29.16762    99.24955   -21.66176
    2     1 S   H    _HN1     2     1.02833    46.06862   140.24703
    3     1 S   H    _H1_     3     1.02793   116.47352  -129.97774
    4     1 S   H    _H2_     4     1.02953    61.29236   -32.56989
    5     1 S   CT   _CA1     5     1.50103   130.62874    60.55606
    6     5 S   HC   _HA1     6     1.09574   105.22107   108.58186
    7     5 S   CO3  _C1_     7     1.53793   112.45194   -11.80926
    8     7 S   O2Z  _O11     8     1.26382   115.00736   -41.83889
    9     7 S   O2Z  _O12     9     1.26215   114.98615   137.29160
   10     5 S   CT   _CB1    10     1.53076   107.45910  -133.21368
   11    10 S   HC   HB11    11     1.09840   109.57789   -47.63636
   12    10 S   HC   HB12    12     1.09808   110.41441    69.05170
   13    10 S   CT   _CG1    13     1.52986   112.50191  -168.43207
   14    13 S   HC   HG11    14     1.09560   110.88081   -65.11164
   15    13 S   HC   HG12    15     1.09680   109.57589    54.08035
   16    13 S   C    _CD1    16     1.51785   111.92375   174.85068
   17    16 S   O    _OE1    17     1.22750   123.26734    17.24585
   18    16 S   N    _N2_    18     1.38571   111.81174  -163.13737
   19    18 S   H    _HN2    19     1.01591   119.16969     0.25023
   20    18 S   CT1  _CA2    20     1.46212   122.94271   177.91963
   21    20 S   HC   _HA2    21     1.09738   108.42680    31.62687
   22    20 S   C    _C2_    22     1.53517   110.83764   -84.86511
   23    22 S   O    _O2_    23     1.23137   121.01926   169.85173
   24    20 S   CT   _CB2    32     1.53310   111.24199   153.99136
   25    24 S   HC   HB21    33     1.09415   109.32044    56.19242
   26    24 S   HC   HB22    34     1.09515   110.83335   174.70139
   27    22 S   N    _N3_    24     1.38079   114.90370   -13.97551
   28    27 S   H    _HN3    25     1.01572   119.35419     4.64030
   29    24 S   S    _SG2    35     1.82943   110.95478   -65.47002
   30    27 S   CT   _CA3    26     1.45314   123.33517  -179.39284
   31    30 S   HC   HA31    27     1.09544   108.11946   -50.83283
   32    30 S   HC   HA32    28     1.09543   107.44990    65.64233
   33    29 S   CT   _C25    36     1.83887    99.80962   160.13890
   34    33 S   HC   _H3_    37     1.09523   105.35575    53.60241
   35    30 S   CO3  _C3_    29     1.52968   113.86823  -172.48540
   36    35 S   O2Z  _O31    30     1.26408   115.96047    10.81258
   37    35 S   O2Z  _O32    31     1.26394   114.52997  -169.32891
   38    33 S   CM   _C11    38     1.53393   111.53928   -67.56280
   39    33 S   CT   _C24    89     1.52963   109.19809   167.86547
   40    39 S   HC   _H54    90     1.09515   112.83355    58.71979
   41    39 S   HC   _H55    91     1.09629   110.85979   -62.10210
   42    39 S   HC   _H56    92     1.09608   110.54434   179.24827
   43    38 S   CMA  _C12    39     1.36775   122.11169   125.63481
   44    43 S   OM   _O23    40     1.26866   125.32407     2.98091
   45    38 S   CT   _C22    85     1.52062   115.98472   -54.02521
   46    45 S   HC   _H48    86     1.09373   111.26427   -39.22986
   47    45 S   HC   _H49    87     1.09426   113.11386  -157.78172
   48    45 S   HC   _H50    88     1.09442   110.48232    81.31345
   49    43 S   OS   _O28    41     1.41534   110.76816  -174.54946
   50    49 S   CT   _C16    42     1.42925   119.28592  -163.90019
   51    50 S   HC   _H38    43     1.09826   109.91906    31.06614
   52    50 S   CM   _C5_    44     1.51695   114.08771   -89.52686
   53    52 S   HC   _H32    45     1.09185   110.64949   161.89434
   54    50 S   CT   _C19    59     1.54810   107.99347   148.03084
   55    54 S   HC   _H41    60     1.10028   109.32402   176.44604
   56    52 S   CM   _C7_    46     1.35052   133.14313   -18.16842
   57    54 S   CM   _C8_    61     1.49761   116.53183   -62.67266
   58    56 S   CT   _C18    47     1.51693   126.56241    -0.36850
   59    58 S   HC   _H40    48     1.08774   112.40522     5.19554
   60    57 S   CO4  _C9_    62     1.47849   108.39611   148.46203
   61    60 S   O    _O24    63     1.21749   127.10813   168.19957
   62    57 S   CM   _C10    65     1.33605   130.39907   -29.64620
   63    62 S   HC   _H33    66     1.08448   121.39697    -1.07082
   64    62 S   HC   _H34    67     1.08529   121.62829   178.79829
   65    56 S   CT   _C21    81     1.51518   117.99434   178.52395
   66    65 S   HC   _H45    82     1.09322   110.92289   115.91830
   67    65 S   HC   _H46    83     1.09559   112.46502    -3.84904
   68    65 S   HC   _H47    84     1.09460   110.79068  -123.36089
   69    58 S   CT   _C14    49     1.54246   115.69024  -119.34042
   70    69 S   HC   _H35    50     1.09620   110.63737   -50.38469
   71    69 S   HC   _H36    51     1.09893   106.88035  -163.70006
   72    87 S   OS   _O26    64     1.44266   107.71625   123.62476
   73    58 S   OH   _O27    79     1.43412   106.63394   120.62540
   74    73 S   HO   _H58    80     0.97175   107.71012  -173.95934
   75    69 S   CT   _C17    52     1.54109   116.66974    77.00533
   76    75 S   HC   _H39    53     1.09910   105.76652   175.25996
   77    75 S   CM   _C6_    54     1.52395   114.79585   -66.24847
   78    75 S   OS   _O29    72     1.44284   107.62604    61.04530
   79    77 S   CM   _C4_    55     1.35013   128.55560   101.40695
   80    79 S   HC   _H31    56     1.09101   116.99159   178.34542
   81    77 S   CT   _C20    68     1.51348   113.08940   -80.31942
   82    81 S   HC   _H42    69     1.09514   110.15295   -60.86928
   83    81 S   HC   _H43    70     1.09519   112.66161   179.18531
   84    81 S   HC   _H44    71     1.09403   110.65152    59.07688
   85    78 S   CO4  _C13    73     1.36380   117.69146   147.72039
   86    85 S   O    _O25    74     1.22311   126.51329    -0.17017
   87    79 S   CT   _C15    57     1.50308   130.18205    -2.83089
   88    87 S   HC   _H37    58     1.08907   112.53778     6.94060
   89    85 S   CT   _C23    75     1.49857   109.37198   179.03653
   90    89 S   HC   _H51    76     1.09269   109.84441   -64.82511
   91    89 S   HC   _H52    77     1.09350   109.30293   176.03701
   92    89 S   HC   _H53    78     1.09274   109.91238    57.02776
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
   9  15   7  14   4  14   7  12   9  14   7   8   3   4   1   1
   5   2   1   1  11   6   5   5   2   1  13   5  10   8   7   3
   4   2   1   1   5   4   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    54    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    56    87    54    55    57  
   51    52    53    56    58    79    87    88    54    55    57    60    72    62    65  
   52    53    56    87    54    55    57  
   53    56    58    59    69    87    54    55    57    73    65    66    67    68  
   56    58    54    65  
   55    57    60    61    72    62    63    64    56    77    79    80    87    88  
   57    60    72    62    79    87    88  
   58    59    69    70    71    75    73    74    65    66    67    68  
   60    61    72    62    63    64    79    87    88  
   59    69    70    71    75    76    77    78    73    74    65    66    67    68  
   69    70    71    75    73    74    65  
   61    72    62    63    64    79    87    88  
   72    62    87  
   63    64    72    87  
   64  
    0  
   66    67    68    69    73  
   67    68  
   68  
    0  
   70    71    75    76    77    79    81    78    85    73    74  
   71    75    76    77    78    73  
   75    76    77    78    73  
   77    79    80    87    88  
   74    75  
    0  
   76    77    79    80    87    81    82    83    84    78    85    86    89  
   77    79    81    78    85  
   79    80    87    88    81    82    83    84    78    85  
   85    86    89    90    91    92    79    81  
   80    87    88    81    82    83    84  
   87    88    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86    89    90    91    92  
   89    90    91    92  
   88  
    0  
   90    91    92  
   91    92  
   92  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    54   268.000  1.529
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    58   317.000  1.510
   56    65   317.000  1.510
   58    59   340.000  1.090
   58    69   268.000  1.529
   58    73   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   317.000  1.510
   75    78   320.000  1.410
   77    79   549.000  1.340
   77    81   317.000  1.510
   79    80   340.000  1.080
   79    87   317.000  1.510
   87    88   340.000  1.090
   87    54   268.000  1.529
   87    72   320.000  1.410
   54    55   340.000  1.090
   54    57   317.000  1.510
   57    60   320.000  1.462
   57    62   549.000  1.340
   60    61   570.000  1.229
   60    72   214.000  1.327
   62    63   340.000  1.080
   62    64   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   78    85   214.000  1.327
   85    86   570.000  1.229
   85    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   73    74   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  110.90400
   49    50    54    50.00000  109.50000
   50    52    53    35.00000  117.00000
   50    52    56    70.00000  124.00000
   50    54    87    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    57    70.00000  112.02700
   52    50    51    35.00000  109.50000
   52    56    58    70.00000  124.00000
   52    56    65    70.00000  124.00000
   56    52    53    35.00000  120.00000
   56    58    59    35.00000  109.50000
   56    58    69    70.00000  112.02700
   56    58    73    90.00000  110.39200
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    35.00000  109.50000
   58    69    70    37.50000  110.70000
   58    69    71    37.50000  110.70000
   58    69    75    58.35000  112.70000
   58    73    74    55.00000  108.50000
   69    58    59    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    70.00000  112.02700
   69    75    78    50.00000  109.50000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    77    79    70.00000  124.00000
   75    77    81    65.00000  117.92700
   75    78    85    83.00000  116.90000
   77    75    76    35.00000  109.50000
   77    79    80    35.00000  120.00000
   77    79    87    70.00000  124.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    54    70.00000  112.02700
   79    87    72    85.00000  110.90400
   87    79    80    35.00000  117.00000
   87    54    55    37.50000  110.70000
   87    54    57    70.00000  112.02700
   87    72    60    83.00000  116.90000
   54    50    51    37.50000  110.70000
   54    50    52    70.00000  112.02700
   54    87    88    37.50000  110.70000
   54    57    60    65.00000  116.34900
   54    57    62    70.00000  124.00000
   57    54    55    35.00000  109.50000
   57    60    61    80.00000  123.72100
   57    60    72    90.00000  111.29400
   57    62    63    35.00000  120.00000
   57    62    64    35.00000  120.00000
   72    87    88    35.00000  109.50000
   72    87    54    50.00000  109.50000
   72    60    61    83.00000  123.40000
   62    57    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   81    77    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    85.00000  110.90400
   78    85    86    83.00000  123.40000
   78    85    89    81.00000  111.40000
   85    89    90    35.00000  109.50000
   85    89    91    35.00000  109.50000
   85    89    92    35.00000  109.50000
   89    85    86    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   73    58    59    35.00000  109.50000
   73    58    69    50.00000  109.50000
   65    56    58    65.00000  117.92700
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.48150  1.0 1.0
   43    49    50    52   0.09250 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    54  -0.46850  1.0 1.0
   43    49    50    54   0.09300 -1.0 2.0
   43    49    50    54  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.00000  1.0 1.0
   49    50    52    56   0.39000  1.0 1.0
   49    50    52    56  -0.05800 -1.0 2.0
   49    50    52    56  -0.55150  1.0 3.0
   49    50    54    87   0.62750  1.0 1.0
   49    50    54    87  -0.30950 -1.0 2.0
   49    50    54    87   0.27300  1.0 3.0
   49    50    54    55   0.23400  1.0 3.0
   49    50    54    57   0.61850  1.0 1.0
   49    50    54    57  -0.22750 -1.0 2.0
   49    50    54    57   0.15300  1.0 3.0
   50    52    56    58   7.00000 -1.0 2.0
   50    52    56    65   7.00000 -1.0 2.0
   50    54    57    60   0.09700  1.0 1.0
   50    54    57    60   0.15600 -1.0 2.0
   50    54    57    60  -0.50800  1.0 3.0
   50    54    57    62   0.09850  1.0 1.0
   50    54    57    62   0.15250 -1.0 2.0
   50    54    57    62  -0.50650  1.0 3.0
   51    50    52    53   0.33100  1.0 3.0
   51    50    52    56   0.00000  1.0 1.0
   51    50    54    87   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    87   0.34400  1.0 1.0
   52    50    54    87   0.09450 -1.0 2.0
   52    50    54    87   0.11100  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    57   0.31000  1.0 1.0
   52    50    54    57   0.14700 -1.0 2.0
   52    50    54    57   0.07550  1.0 3.0
   52    56    58    59   0.00000  1.0 1.0
   52    56    58    69   0.09850  1.0 1.0
   52    56    58    69   0.15250 -1.0 2.0
   52    56    58    69  -0.50650  1.0 3.0
   52    56    58    73   0.67800  1.0 1.0
   52    56    58    73   0.47050 -1.0 2.0
   52    56    58    73  -0.62500  1.0 3.0
   52    56    65    66   0.00000  1.0 1.0
   52    56    65    67   0.00000  1.0 1.0
   52    56    65    68   0.00000  1.0 1.0
   53    52    56    58   7.00000 -1.0 2.0
   53    52    56    65   7.00000 -1.0 2.0
   56    58    69    70   0.15000  1.0 3.0
   56    58    69    71   0.15000  1.0 3.0
   56    58    69    75   0.34400  1.0 1.0
   56    58    69    75   0.09450 -1.0 2.0
   56    58    69    75   0.11100  1.0 3.0
   56    58    73    74  -0.07800  1.0 1.0
   56    58    73    74  -0.21500 -1.0 2.0
   56    58    73    74  -0.03150  1.0 3.0
   58    56    65    66   0.34800  1.0 3.0
   58    56    65    67   0.34800  1.0 3.0
   58    56    65    68   0.34800  1.0 3.0
   58    69    75    76   0.15000  1.0 3.0
   58    69    75    77   0.34400  1.0 1.0
   58    69    75    77   0.09450 -1.0 2.0
   58    69    75    77   0.11100  1.0 3.0
   58    69    75    78   0.62750  1.0 1.0
   58    69    75    78  -0.30950 -1.0 2.0
   58    69    75    78   0.27300  1.0 3.0
   59    58    69    70   0.15000  1.0 3.0
   59    58    69    71   0.15000  1.0 3.0
   59    58    69    75   0.15000  1.0 3.0
   59    58    73    74   0.19450  1.0 3.0
   69    58    73    74  -0.11600  1.0 1.0
   69    58    73    74  -0.09450 -1.0 2.0
   69    58    73    74   0.21250  1.0 3.0
   69    75    77    79   0.09850  1.0 1.0
   69    75    77    79   0.15250 -1.0 2.0
   69    75    77    79  -0.50650  1.0 3.0
   69    75    77    81   0.46850  1.0 1.0
   69    75    77    81   0.08550 -1.0 2.0
   69    75    77    81   0.09800  1.0 3.0
   69    75    78    85  -0.25900  1.0 1.0
   69    75    78    85  -0.47000 -1.0 2.0
   69    75    78    85   0.11750  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    78   0.23400  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    78   0.23400  1.0 3.0
   75    77    79    80   7.00000 -1.0 2.0
   75    77    79    87   7.00000 -1.0 2.0
   75    77    81    82   0.34800  1.0 3.0
   75    77    81    83   0.34800  1.0 3.0
   75    77    81    84   0.34800  1.0 3.0
   75    78    85    86   3.00000 -1.0 2.0
   75    78    85    89   1.63150  1.0 1.0
   75    78    85    89   2.92000 -1.0 2.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    81   0.34800  1.0 3.0
   76    75    78    85   0.08050  1.0 3.0
   77    75    78    85  -0.82050  1.0 1.0
   77    75    78    85   0.00600 -1.0 2.0
   77    75    78    85   0.04400  1.0 3.0
   77    79    87    88   0.00000  1.0 1.0
   77    79    87    54   0.09850  1.0 1.0
   77    79    87    54   0.15250 -1.0 2.0
   77    79    87    54  -0.50650  1.0 3.0
   77    79    87    72   0.39000  1.0 1.0
   77    79    87    72  -0.05800 -1.0 2.0
   77    79    87    72  -0.55150  1.0 3.0
   79    77    81    82   0.00000  1.0 1.0
   79    77    81    83   0.00000  1.0 1.0
   79    77    81    84   0.00000  1.0 1.0
   79    87    54    50   0.34400  1.0 1.0
   79    87    54    50   0.09450 -1.0 2.0
   79    87    54    50   0.11100  1.0 3.0
   79    87    54    55   0.15000  1.0 3.0
   79    87    54    57   0.31000  1.0 1.0
   79    87    54    57   0.14700 -1.0 2.0
   79    87    54    57   0.07550  1.0 3.0
   79    87    72    60  -0.82050  1.0 1.0
   79    87    72    60   0.00600 -1.0 2.0
   79    87    72    60   0.04400  1.0 3.0
   80    79    87    88   0.33100  1.0 3.0
   80    79    87    54   0.00000  1.0 1.0
   80    79    87    72   0.00000  1.0 1.0
   87    54   -57    60   0.09700  1.0 1.0
   87    54   -57    60   0.15600 -1.0 2.0
   87    54   -57    60  -0.50800  1.0 3.0
   87    54    57    62   0.09850  1.0 1.0
   87    54    57    62   0.15250 -1.0 2.0
   87    54    57    62  -0.50650  1.0 3.0
   88    87    54    50   0.15000  1.0 3.0
   88    87    54    55   0.15000  1.0 3.0
   88    87    54    57   0.15000  1.0 3.0
   88    87    72    60   0.08050  1.0 3.0
   54    50    52    53   0.00000  1.0 1.0
   54    50    52    56   0.09850  1.0 1.0
   54    50    52    56   0.15250 -1.0 2.0
   54    50    52    56  -0.50650  1.0 3.0
   54    87   -72    60  -0.25900  1.0 1.0
   54    87   -72    60  -0.47000 -1.0 2.0
   54    87   -72    60   0.11750  1.0 3.0
   54    57    60    61  -0.64400  1.0 1.0
   54    57    60    61   0.26850 -1.0 2.0
   54    57   -60    72  -0.15000  1.0 1.0
   54    57   -60    72   0.89550 -1.0 2.0
   54    57   -60    72  -0.06900  1.0 3.0
   54    57    62    63   7.00000 -1.0 2.0
   54    57    62    64   7.00000 -1.0 2.0
   55    54    57    60   0.15000  1.0 3.0
   55    54    57    62   0.00000  1.0 1.0
   57    60   -72    87   2.00000 -1.0 2.0
   60    57    62    63   7.00000 -1.0 2.0
   60    57    62    64   7.00000 -1.0 2.0
   61    60    72    87   3.00000 -1.0 2.0
   72    87    54    50   0.62750  1.0 1.0
   72    87    54    50  -0.30950 -1.0 2.0
   72    87    54    50   0.27300  1.0 3.0
   72    87    54    55   0.23400  1.0 3.0
   72    87   -54    57   0.61850  1.0 1.0
   72    87   -54    57  -0.22750 -1.0 2.0
   72    87   -54    57   0.15300  1.0 3.0
   62    57    60    61   1.00000 -1.0 2.0
   62    57    60    72  -0.56150  1.0 1.0
   62    57    60    72   2.19150 -1.0 2.0
   81    77    79    80   7.00000 -1.0 2.0
   81    77    79    87   7.00000 -1.0 2.0
   78    75    77    79   0.39000  1.0 1.0
   78    75    77    79  -0.05800 -1.0 2.0
   78    75    77    79  -0.55150  1.0 3.0
   78    75    77    81   0.09700  1.0 1.0
   78    75    77    81   0.15600 -1.0 2.0
   78    75    77    81  -0.50800  1.0 3.0
   78    85    89    90   0.00000  1.0 1.0
   78    85    89    91   0.00000  1.0 1.0
   78    85    89    92   0.00000  1.0 1.0
   86    85    89    90   0.00000  1.0 1.0
   86    85    89    91   0.00000  1.0 1.0
   86    85    89    92   0.00000  1.0 1.0
   73    58    69    70   0.23400  1.0 3.0
   73    58    69    71   0.23400  1.0 3.0
   73    58    69    75   0.86500  1.0 1.0
   73    58    69    75  -0.17500 -1.0 2.0
   73    58    69    75   0.20800  1.0 3.0
   65    56    58    59   0.34800  1.0 3.0
   65    56    58    69   0.46850  1.0 1.0
   65    56    58    69   0.08550 -1.0 2.0
   65    56    58    69   0.09800  1.0 3.0
   65    56    58    73   0.18000  1.0 1.0
   65    56    58    73   0.16450 -1.0 2.0
   65    56    58    73   0.04450  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   50    53    52    56   1.10000 -1.0 2.0
   58    65    56    52   1.10000 -1.0 2.0
   75    81    77    79   1.10000 -1.0 2.0
   87    80    79    77   1.10000 -1.0 2.0
   54    60    57    62   1.10000 -1.0 2.0
   57    72    60    61  10.50000 -1.0 2.0
   63    64    62    57   1.10000 -1.0 2.0
   78    89    85    86  10.50000 -1.0 2.0
END
