* LIGAND DATABASE FILE (OPLS2005)
*
001      96   100    191    315     575
    1     0 S   NP   _N1_     1    28.85179    95.53512   -25.89499
    2     1 S   H    _HN1     2     1.02788   118.73314   -91.20661
    3     1 S   H    _H1_     3     1.02948    74.65912    11.63074
    4     1 S   H    _H2_     4     1.02828    32.42889  -169.09443
    5     1 S   CT   _CA1     5     1.50117   123.94066   116.18183
    6     5 S   HC   _HA1     6     1.09572   105.19012    92.85962
    7     5 S   CO3  _C1_     7     1.53776   112.44187   -27.39191
    8     7 S   O2Z  _O11     8     1.26374   115.00559   -42.94388
    9     7 S   O2Z  _O12     9     1.26231   114.93906   136.14151
   10     5 S   CT   _CB1    10     1.53067   107.41753  -149.14765
   11    10 S   HC   HB11    11     1.09837   109.37266   -49.47034
   12    10 S   HC   HB12    12     1.09812   110.45162    67.12999
   13    10 S   CT   _CG1    13     1.53006   112.62459  -170.42180
   14    13 S   HC   HG11    14     1.09579   110.69029   -66.00869
   15    13 S   HC   HG12    15     1.09668   109.75392    53.24424
   16    13 S   C    _CD1    16     1.51802   112.10068   173.72233
   17    16 S   O    _OE1    17     1.22741   123.24031     9.26548
   18    16 S   N    _N2_    18     1.38649   111.75624  -170.90698
   19    18 S   H    _HN2    19     1.01584   118.95239     1.75189
   20    18 S   CT1  _CA2    20     1.46218   123.33449   177.18937
   21    20 S   HC   _HA2    21     1.09733   109.36664     3.78341
   22    20 S   C    _C2_    22     1.53568   108.68482  -111.73522
   23    22 S   O    _O2_    23     1.23063   122.25225  -148.28851
   24    20 S   CT   _CB2    32     1.53265   111.54090   125.80470
   25    24 S   HC   HB21    33     1.09532   109.97790    56.80127
   26    24 S   HC   HB22    34     1.09525   110.28843   175.67614
   27    22 S   N    _N3_    24     1.38316   113.74685    39.16001
   28    27 S   H    _HN3    25     1.01575   119.59305    -3.27734
   29    24 S   S    _SG2    35     1.82893   111.52044   -64.74346
   30    27 S   CT   _CA3    26     1.45285   123.24812   177.17652
   31    30 S   HC   HA31    27     1.09548   107.50926   -64.78444
   32    30 S   HC   HA32    28     1.09556   107.99461    51.66562
   33    29 S   CT   _C20    36     1.82976    99.31541   174.61337
   34    33 S   HC   _H8_    37     1.09498   105.43308    42.22941
   35    30 S   CO3  _C3_    29     1.52968   114.05437   173.66856
   36    35 S   O2Z  _O31    30     1.26380   116.06547    -0.47929
   37    35 S   O2Z  _O32    31     1.26425   114.41608   179.58129
   38    33 S   CM   _C21    38     1.52580   116.22651   -79.24731
   39    33 S   CT   _C19    52     1.53237   108.03437   157.95259
   40    39 S   HC   _H25    53     1.09779   109.61898   -54.83473
   41    39 S   HC   _H26    54     1.09929   110.36142    62.72288
   42    38 S   CM   _C22    39     1.34658   124.56958    -6.12314
   43    42 S   HC   _H27    40     1.08341   123.14552     1.03458
   44    42 S   CO4  _C23    41     1.47798   122.68856  -178.20223
   45    44 S   O    _O37    42     1.22618   121.12792  -179.39802
   46    44 S   CM   _C24    43     1.46994   117.82088     0.53887
   47    46 S   HC   _H28    44     1.08349   118.04352  -179.45500
   48    46 S   CM   _C25    45     1.33528   120.22970    -0.01978
   49    48 S   HC   _H29    46     1.08823   116.97719  -178.51681
   50    38 S   CT   _C26    47     1.54718   113.53504   176.44664
   51    50 S   CT   _C8_    48     1.58052   107.23230    58.47298
   52    51 S   HC   _H4_    49     1.10378   105.73500    61.24544
   53    50 S   CT   _C27    93     1.54652   108.63065   -65.37091
   54    53 S   HC   _H30    94     1.09383   112.76615    74.96622
   55    53 S   HC   _H31    95     1.09798   111.02454   -45.27786
   56    53 S   HC   _H32    96     1.09579   112.41204  -163.98798
   57    51 S   CT   _C9_    50     1.56607   112.33435   -53.36696
   58    57 S   HC   _H5_    51     1.09469   109.62686   -65.28431
   59    51 S   CT   _C7_    67     1.56005   116.09364   176.49731
   60    59 S   HC   _H3_    68     1.09569   108.99748   -61.72665
   61    57 S   CT   _C10    55     1.53597   108.46547   175.10175
   62    61 S   HC   _H6_    56     1.10093   105.53558   -57.19285
   63    59 S   OH   _O38    69     1.42088   111.03133    55.23859
   64    63 S   HO   _H33    70     0.97239   107.85103  -176.47480
   65    61 S   CT   _C11    57     1.52721   118.96442  -175.80862
   66    65 S   HC   _H14    58     1.09587   110.20338   -44.53279
   67    65 S   HC   _H15    59     1.09474   111.93277    75.97596
   68    65 S   CT   _C12    60     1.54180   103.98907  -162.57202
   69    68 S   HC   _H7_    61     1.09420   109.31178   134.82815
   70    68 S   CT   _C13    62     1.54071   107.18079     9.66544
   71    61 S   CT   _C5_    63     1.54825   113.78417    61.45401
   72    70 S   OS   _O33    75     1.42791   104.15092   -98.11154
   73    70 S   CO4  _C17    86     1.53836   113.24514   144.06435
   74    73 S   O    _O35    87     1.23263   121.42278   -22.76206
   75    71 S   CT   _C6_    64     1.54272   106.76555   -61.51226
   76    75 S   HC   _H12    65     1.09705   109.83225   -66.33360
   77    75 S   HC   _H13    66     1.09508   109.70112   176.53468
   78    71 S   CT   _C4_    71     1.55176   113.25953    60.63022
   79    78 S   HC   _H9_    72     1.09504   112.41100    67.05712
   80    78 S   HC   _H10    73     1.09121   113.38107   -53.23667
   81    78 S   HC   _H11    74     1.09611   110.55121  -173.39859
   82    72 S   CO   _C14    76     1.43011   107.13278   -21.42651
   83    73 S   CT   _C18    88     1.52097   117.36637   158.58231
   84    83 S   HC   _H22    89     1.09023   109.71709    62.79120
   85    83 S   HC   _H23    90     1.09252   109.67975   -58.74765
   86    68 S   OS   _O34    77     1.42498   110.63884  -106.11040
   87    82 S   CT   _C15    78     1.52617   109.45373  -103.79419
   88    87 S   HC   _H16    79     1.09532   110.96384    62.96775
   89    87 S   HC   _H17    80     1.09499   111.26840   -56.37983
   90    87 S   HC   _H18    81     1.09526   111.21975  -178.36374
   91    82 S   CT   _C16    82     1.52367   108.84555   135.46357
   92    91 S   HC   _H19    83     1.09517   110.77785   -61.36401
   93    91 S   HC   _H20    84     1.09515   111.30531   179.87028
   94    91 S   HC   _H21    85     1.09503   111.31301    57.76535
   95    83 S   OH   _O36    91     1.41475   110.28623  -178.00032
   96    95 S   HO   _H24    92     0.97224   107.27270   178.37033
  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
  15   7   2   1   1  19  13   5   4   9   4   6   3   6   3  10
   3  13  18   8   5   2   1   1  14   5  10   6  18   8   5   1
  12   6   5  13   6  19  13  15  10   4   6   2   1   3   2   1
   1   9   4   3   2   8   7   3   2   1   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    42    50    57    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    48    50    51    57    58    39    40    41    61    53  
   38    42    50    57    39    40    41  
   36    37  
   37  
    0  
   42    43    44    45    46    48    49    50    51    52    57    39    40    41    59    53    54    55    56  
   40    41    61    62    65    71    59    42    50    51    52    57    58  
   41    61    51    57    58  
   61    51    57    58  
   43    44    45    46    47    48    50    51    53  
   44    45    46    50  
   45    46    47    48    49    50  
   46    47    48  
   47    48    49    50    51    53  
   48    49    50  
   49    50    51    52    57    59    53    54    55    56  
   50    51    53  
   51    52    57    58    61    75    59    60    63    53    54    55    56  
   52    57    58    61    62    65    71    75    76    77    59    60    63    64    53    54    55    56  
   57    58    61    75    59    60    63    53  
   54    55    56    57    59  
   55    56  
   56  
    0  
   58    61    62    65    66    67    68    70    71    75    59    60    63    78  
   61    62    65    71    59  
   60    63    64    78    61    70    71    75    76    77  
   63    64    71    75    76    77  
   62    65    66    67    68    69    70    71    75    76    77    78    79    80    81    72    86    73  
   65    66    67    68    70    71    75    78  
   64    71    75    76    77  
   75  
   66    67    68    69    70    71    75    78    72    82    86    73  
   67    68    69    70    71    86  
   68    69    70    71    86  
   69    70    71    75    78    72    82    86    87    91    73    74    83  
   70    71    72    82    86    73  
   71    75    76    77    78    79    80    81    72    82    86    87    91    73    74    83    84    85    95  
   75    76    77    78    79    80    81    72    82    86    73    74    83  
   82    86    87    88    89    90    91    92    93    94    73    74    83    75    78  
   74    83    84    85    95    96    75    78    82    86  
   83    84    85    95  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   86    87    88    89    90    91    92    93    94  
   84    85    95    96  
   85    95    96  
   95    96  
   87    88    89    90    91    92    93    94  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91  
   91  
   92    93    94  
   93    94  
   94  
    0  
   96  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    42   549.000  1.340
   38    50   317.000  1.510
   42    43   340.000  1.080
   42    44   320.000  1.462
   44    45   570.000  1.229
   44    46   320.000  1.462
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   340.000  1.080
   48    50   317.000  1.510
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    59   268.000  1.529
   57    58   340.000  1.090
   57    39   268.000  1.529
   57    61   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    71   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    86   320.000  1.410
   70    71   268.000  1.529
   70    72   320.000  1.410
   70    73   317.000  1.522
   71    75   268.000  1.529
   71    78   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    59   268.000  1.529
   59    60   340.000  1.090
   59    63   320.000  1.410
   63    64   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   72    82   320.000  1.380
   82    86   320.000  1.380
   82    87   250.000  1.527
   82    91   250.000  1.527
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   73    74   570.000  1.229
   73    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    95   320.000  1.410
   95    96   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    42    70.00000  124.00000
   33    38    50    65.00000  117.92700
   33    39    57    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    65.00000  118.96000
   38    50    48    70.00000  110.12100
   38    50    51    70.00000  112.02700
   38    50    53    70.00000  112.02700
   42    44    45    80.00000  123.72100
   42    44    46    65.00000  118.65900
   44    42    43    40.00000  117.72500
   44    46    47    40.00000  117.72500
   44    46    48    65.00000  118.96000
   46    44    45    80.00000  123.72100
   46    48    49    35.00000  120.00000
   46    48    50    70.00000  124.00000
   48    46    47    35.00000  120.00000
   48    50    51    70.00000  112.02700
   48    50    53    70.00000  112.02700
   50    38    42    70.00000  124.00000
   50    48    49    35.00000  117.00000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    59    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    39    58.35000  112.70000
   51    57    61    58.35000  112.70000
   51    59    75    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    63    50.00000  109.50000
   57    51    52    37.50000  110.70000
   57    39    40    37.50000  110.70000
   57    39    41    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    65    58.35000  112.70000
   57    61    71    58.35000  112.70000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    57    58    37.50000  110.70000
   41    39    40    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    39    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    58.35000  112.70000
   61    71    70    58.35000  112.70000
   61    71    75    58.35000  112.70000
   61    71    78    58.35000  112.70000
   65    61    62    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    58.35000  112.70000
   65    68    86    50.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    70    71    58.35000  112.70000
   68    70    72    50.00000  109.50000
   68    70    73    63.00000  111.10000
   68    86    82    60.00000  109.50000
   70    68    69    37.50000  110.70000
   70    71    75    58.35000  112.70000
   70    71    78    58.35000  112.70000
   70    72    82    60.00000  109.50000
   70    73    74    80.00000  120.40000
   70    73    83    70.00000  116.00000
   71    61    62    37.50000  110.70000
   71    61    65    58.35000  112.70000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    59    58.35000  112.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    37.50000  110.70000
   75    59    60    37.50000  110.70000
   75    59    63    50.00000  109.50000
   77    75    76    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    57    58.35000  112.70000
   59    75    76    37.50000  110.70000
   59    75    77    37.50000  110.70000
   59    63    64    55.00000  108.50000
   63    59    60    35.00000  109.50000
   78    71    75    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   72    70    71    50.00000  109.50000
   72    82    86    92.60000  111.55000
   72    82    87    90.00000  108.56700
   72    82    91    90.00000  108.56700
   82    87    88    45.00000  108.72000
   82    87    89    45.00000  108.72000
   82    87    90    45.00000  108.72000
   82    91    92    45.00000  108.72000
   82    91    93    45.00000  108.72000
   82    91    94    45.00000  108.72000
   86    68    69    35.00000  109.50000
   86    68    70    50.00000  109.50000
   87    82    86    90.00000  108.56700
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   91    82    86    90.00000  108.56700
   91    82    87    65.00000  112.71400
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   73    70    71    63.00000  111.10000
   73    70    72    90.00000  108.74100
   73    83    84    35.00000  109.50000
   73    83    85    35.00000  109.50000
   73    83    95    90.00000  109.61100
   83    73    74    80.00000  120.40000
   83    95    96    55.00000  108.50000
   85    83    84    33.00000  107.80000
   95    83    84    35.00000  109.50000
   95    83    85    35.00000  109.50000
   53    50    51    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
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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    50   0.30250  1.0 1.0
   29    33    38    50  -0.14950 -1.0 2.0
   29    33    38    50   0.36900  1.0 3.0
   29    33    39    57   0.44750  1.0 1.0
   29    33    39    57  -0.17800 -1.0 2.0
   29    33    39    57   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   33    38    50    48   0.09700  1.0 1.0
   33    38    50    48   0.15600 -1.0 2.0
   33    38    50    48  -0.50800  1.0 3.0
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   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    59   0.56750  1.0 1.0
   53    50    51    59  -0.07550 -1.0 2.0
   53    50    51    59   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
   36    30    35    37  10.50000 -1.0 2.0
   33    50    38    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   42    46    44    45  10.50000 -1.0 2.0
   44    47    46    48   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   70    83    73    74  10.50000 -1.0 2.0
END
