* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    163    237     474
    1     0 S   NP   _N1_     1    29.81608   100.78862   -19.98274
    2     1 S   H    _HN1     2     1.02950    50.70737    23.37214
    3     1 S   H    _H1_     3     1.02829    72.05437   154.95641
    4     1 S   H    _H2_     4     1.02785    85.68578   -94.66393
    5     1 S   CT   _CA1     5     1.50119   158.77045    53.78226
    6     5 S   HC   _HA1     6     1.09574   105.18608   152.92643
    7     5 S   CO3  _C1_     7     1.53794   112.44977    32.72320
    8     7 S   O2Z  _O11     8     1.26373   115.00223   -42.37053
    9     7 S   O2Z  _O12     9     1.26240   114.94882   136.69927
   10     5 S   CT   _CB1    10     1.53077   107.41470   -89.10638
   11    10 S   HC   HB11    11     1.09831   109.36758   -49.66971
   12    10 S   HC   HB12    12     1.09812   110.45361    66.94647
   13    10 S   CT   _CG1    13     1.52973   112.59681  -170.65325
   14    13 S   HC   HG11    14     1.09597   110.60315   -65.61307
   15    13 S   HC   HG12    15     1.09671   109.81624    53.61054
   16    13 S   C    _CD1    16     1.51806   112.27297   174.05195
   17    16 S   O    _OE1    17     1.22722   123.30508     5.65908
   18    16 S   N    _N2_    18     1.38592   111.55824  -174.40998
   19    18 S   H    _HN2    19     1.01571   118.96242     1.90351
   20    18 S   CT1  _CA2    20     1.46203   123.58008   178.76046
   21    20 S   HC   _HA2    21     1.09741   109.32629     1.38282
   22    20 S   C    _C2_    22     1.53582   108.92725  -114.02145
   23    22 S   O    _O2_    23     1.23058   122.29406  -151.38733
   24    20 S   CT   _CB2    32     1.53405   111.24472   123.36970
   25    24 S   HC   HB21    33     1.09288   109.62899    55.37734
   26    24 S   HC   HB22    34     1.09391   109.85538   173.84059
   27    22 S   N    _N3_    24     1.38348   113.74465    36.35085
   28    27 S   H    _HN3    25     1.01582   119.48794    -3.76546
   29    24 S   S    _SG2    35     1.83047   110.93052   -67.24967
   30    27 S   CT   _CA3    26     1.45274   123.23726   176.92891
   31    30 S   HC   HA31    27     1.09551   107.56963   -62.79025
   32    30 S   HC   HA32    28     1.09556   107.91231    53.63382
   33    29 S   CT   _C15    36     1.87060   102.40169   157.87681
   34    33 S   OM   _O36    37     1.32402   107.80356   148.44435
   35    30 S   CO3  _C3_    29     1.52963   114.08037   175.56059
   36    35 S   O2Z  _O31    30     1.26378   116.06931    -1.30686
   37    35 S   O2Z  _O32    31     1.26431   114.42386   178.73948
   38    33 S   CT   _C16    38     1.61579   110.48101   -94.67804
   39    33 S   OS   _O35    51     1.45246   113.39015    23.13726
   40    38 S   CT   _C17    39     1.55277   113.96466   -58.06467
   41    40 S   HC   _H16    40     1.09507   111.99547   -59.94074
   42    40 S   HC   _H17    41     1.09451   112.09244    61.82299
   43    40 S   HC   _H18    42     1.09686   110.71052  -179.06414
   44    38 S   CT   _C18    43     1.55098   111.68358    63.09255
   45    44 S   HC   _H19    44     1.09398   111.78310    53.32694
   46    44 S   HC   _H20    45     1.09345   111.90075   -68.51077
   47    44 S   HC   _H21    46     1.09681   111.05153   172.82304
   48    38 S   CT   _C19    47     1.55856   110.91369  -179.43145
   49    48 S   HC   _H22    48     1.09502   111.63953   -56.91052
   50    48 S   HC   _H23    49     1.09529   111.87920    64.26178
   51    48 S   HC   _H24    50     1.09661   111.05384  -176.53327
   52    39 S   CA   _C14    52     1.36583   125.73448    70.59962
   53    52 S   CA   _C13    53     1.39552   126.50327    -6.88205
   54    53 S   HA   _H15    54     1.08498   120.95072    -0.55778
   55    53 S   CA   _C12    55     1.40903   121.25190   179.87180
   56    55 S   CA   _C11    56     1.40139   119.29283     0.15949
   57    56 S   HA   _H14    57     1.08706   120.66120  -179.70993
   58    55 S   CT   _C20    77     1.51368   120.60479  -179.57942
   59    58 S   HC   _H3_    78     1.09673   109.54099  -174.82964
   60    56 S   CA   _C10    58     1.39170   120.28739     0.28667
   61    60 S   HA   _H13    59     1.08588   120.11202  -179.85329
   62    58 S   CT   _C21    79     1.53099   111.78136    63.56254
   63    62 S   HC   _H25    80     1.09507   112.05264    56.22842
   64    62 S   HC   _H26    81     1.09529   111.96628   -68.07994
   65    58 S   OH   _O37    89     1.42962   110.52955   -57.79881
   66    65 S   HO   _H32    90     0.97321   108.34725   -32.38476
   67    52 S   CA   _C9_    60     1.40040   115.66786   174.16810
   68    62 S   NP   _N4_    82     1.50071   108.86238   174.72452
   69    68 S   H    _H27    83     1.03038   108.44119    55.28078
   70    68 S   H    _H28    84     1.02900   109.58834   -59.88340
   71    67 S   OS   _O34    61     1.40165   120.46771    -2.08300
   72    68 S   CT   _C22    85     1.48651   114.19750   177.30950
   73    72 S   HC   _H29    86     1.09243   108.31396    60.59837
   74    72 S   HC   _H30    87     1.09217   107.39631  -179.92338
   75    72 S   HC   _H31    88     1.09246   108.37428   -60.44858
   76    71 S   CO4  _C8_    62     1.39269   113.48952    83.30928
   77    76 S   O    _O33    63     1.22586   125.65737     1.17935
   78    76 S   CT   _C5_    64     1.53350   110.06645   178.22062
   79    78 S   CT   _C4_    65     1.53541   111.49820    42.55176
   80    79 S   HC   _H4_    66     1.09589   111.15744   176.13872
   81    79 S   HC   _H5_    67     1.09571   111.87428   -63.98438
   82    79 S   HC   _H6_    68     1.09482   111.10958    56.03361
   83    78 S   CT   _C6_    69     1.53721   109.03100   162.33152
   84    83 S   HC   _H7_    70     1.09575   111.31306  -179.59700
   85    83 S   HC   _H8_    71     1.09620   111.43540    60.31139
   86    83 S   HC   _H9_    72     1.09629   111.08275   -59.28332
   87    78 S   CT   _C7_    73     1.53322   108.11133   -78.62213
   88    87 S   HC   _H10    74     1.09557   111.28703  -177.71904
   89    87 S   HC   _H11    75     1.09618   111.15439   -57.35961
   90    87 S   HC   _H12    76     1.09605   111.30577    61.97566
  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   8   5   4   3
  18   6   2   1   1  14  10  11   4   3   2   7   3   2   1   3
   2   1   1  10  11   4  13   9   4  11   6   4   2  11   6   5
   2   1   4   6   5   4   6   3   2   1   1  14   4  12  11   4
   3   2   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    44    48    39    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    43    44    45    46    47    48    49    50    51    39    52    53    67  
   38    40    44    48    39    52  
   36    37  
   37  
    0  
   40    41    42    43    44    45    46    47    48    49    50    51    39    52  
   52    53    54    55    60    67    71    40    44    48  
   41    42    43    44    45    46    47    48    49    50    51  
   42    43    44    48  
   43    44    48  
   44    48  
   45    46    47    48    49    50    51  
   46    47    48  
   47    48  
   48  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    60    61    67    71    76    58  
   54    55    56    57    60    67    71    58    59    62    65  
   55    56    67    58  
   56    57    60    61    67    58    59    62    63    64    68    65    66  
   57    60    61    67    71    58    59    62    65  
   60    61    67    58  
   59    62    63    64    68    69    70    72    65    66    60  
   62    63    64    68    65    66  
   61    67    71    76  
   67    71  
   63    64    68    69    70    72    73    74    75    65    66  
   64    68    69    70    72    65  
   68    69    70    72    65  
   66    68  
    0  
   71    76    77    78  
   69    70    72    73    74    75  
   70    72    73    74    75  
   72    73    74    75  
   76    77    78    79    83    87  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81    82    83    84    85    86    87    88    89    90  
   78    79    83    87  
   79    80    81    82    83    84    85    86    87    88    89    90  
   80    81    82    83    84    85    86    87    88    89    90  
   81    82    83    87  
   82    83    87  
   83    87  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   69   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   70   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   570.000  1.307
   33    38   268.000  1.529
   33    39   320.000  1.410
   38    40   268.000  1.529
   38    44   268.000  1.529
   38    48   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   39    52   450.000  1.364
   52    53   469.000  1.400
   52    67   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   469.000  1.400
   55    58   317.000  1.510
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    71   450.000  1.364
   71    76   214.000  1.327
   76    77   570.000  1.229
   76    78   317.000  1.522
   78    79   268.000  1.529
   78    83   268.000  1.529
   78    87   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   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
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   367.000  1.471
   68    69   434.000  1.010
   68    70   434.000  1.010
   68    72   367.000  1.471
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   65    66   553.000  0.945
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    38    40    58.35000  112.70000
   33    38    44    58.35000  112.70000
   33    38    48    58.35000  112.70000
   33    39    52    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    43    37.50000  110.70000
   38    44    45    37.50000  110.70000
   38    44    46    37.50000  110.70000
   38    44    47    37.50000  110.70000
   38    48    49    37.50000  110.70000
   38    48    50    37.50000  110.70000
   38    48    51    37.50000  110.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
   44    38    40    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    38    40    58.35000  112.70000
   48    38    44    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   39    33    34   110.00000  112.65000
   39    33    38    50.00000  109.50000
   39    52    53    70.00000  120.00000
   39    52    67    70.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    55    63.00000  120.00000
   52    67    60    63.00000  120.00000
   52    67    71    70.00000  120.00000
   53    55    56    63.00000  120.00000
   53    55    58    70.00000  120.00000
   55    53    54    35.00000  120.00000
   55    56    57    35.00000  120.00000
   55    56    60    63.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    62    70.00000  112.17500
   55    58    65    90.00000  112.51600
   56    60    61    35.00000  120.00000
   56    60    67    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    67    71    70.00000  120.00000
   67    52    53    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    71    76    85.00000  115.98000
   71    76    77    83.00000  123.40000
   71    76    78    81.00000  111.40000
   76    78    79    63.00000  111.10000
   76    78    83    63.00000  111.10000
   76    78    87    63.00000  111.10000
   78    76    77    80.00000  120.40000
   78    79    80    37.50000  110.70000
   78    79    81    37.50000  110.70000
   78    79    82    37.50000  110.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    86    37.50000  110.70000
   78    87    88    37.50000  110.70000
   78    87    89    37.50000  110.70000
   78    87    90    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    78    79    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    78    79    58.35000  112.70000
   87    78    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   58    55    56    70.00000  120.00000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    68    80.00000  111.20000
   58    65    66    55.00000  108.50000
   62    58    59    37.50000  110.70000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    72    75.00000  113.01200
   64    62    63    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    35.00000  109.50000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    75    35.00000  109.50000
   70    68    69    35.00000  109.50000
   72    68    69    35.00000  109.50000
   72    68    70    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   65    58    59    35.00000  109.50000
   65    58    62    50.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    44   0.44750  1.0 1.0
   29    33    38    44  -0.17800 -1.0 2.0
   29    33    38    44   0.20200  1.0 3.0
   29    33    38    48   0.44750  1.0 1.0
   29    33    38    48  -0.17800 -1.0 2.0
   29    33    38    48   0.20200  1.0 3.0
   29    33    39    52   0.14700  1.0 1.0
   29    33    39    52  -1.16150 -1.0 2.0
   29    33    39    52   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    43   0.15000  1.0 3.0
   33    38    44    45   0.15000  1.0 3.0
   33    38    44    46   0.15000  1.0 3.0
   33    38    44    47   0.15000  1.0 3.0
   33    38    48    49   0.15000  1.0 3.0
   33    38    48    50   0.15000  1.0 3.0
   33    38    48    51   0.15000  1.0 3.0
   33    39    52    53   1.63200 -1.0 2.0
   33    39    52    67   1.63200 -1.0 2.0
   34    33    38    40   0.62750  1.0 1.0
   34    33    38    40  -0.30950 -1.0 2.0
   34    33    38    40   0.27300  1.0 3.0
   34    33    38    44   0.62750  1.0 1.0
   34    33    38    44  -0.30950 -1.0 2.0
   34    33    38    44   0.27300  1.0 3.0
   34    33    38    48   0.62750  1.0 1.0
   34    33    38    48  -0.30950 -1.0 2.0
   34    33    38    48   0.27300  1.0 3.0
   34    33    39    52  -0.25600  1.0 1.0
   34    33    39    52  -0.40050 -1.0 2.0
   34    33    39    52   0.34700  1.0 3.0
   38    33    39    52  -0.32850  1.0 1.0
   38    33    39    52  -0.35800 -1.0 2.0
   38    33    39    52   0.33950  1.0 3.0
   40    38    44    45   0.15000  1.0 3.0
   40    38    44    46   0.15000  1.0 3.0
   40    38    44    47   0.15000  1.0 3.0
   40    38    48    49   0.15000  1.0 3.0
   40    38    48    50   0.15000  1.0 3.0
   40    38    48    51   0.15000  1.0 3.0
   44    38    40    41   0.15000  1.0 3.0
   44    38    40    42   0.15000  1.0 3.0
   44    38    40    43   0.15000  1.0 3.0
   44    38    48    49   0.15000  1.0 3.0
   44    38    48    50   0.15000  1.0 3.0
   44    38    48    51   0.15000  1.0 3.0
   48    38    40    41   0.15000  1.0 3.0
   48    38    40    42   0.15000  1.0 3.0
   48    38    40    43   0.15000  1.0 3.0
   48    38    44    45   0.15000  1.0 3.0
   48    38    44    46   0.15000  1.0 3.0
   48    38    44    47   0.15000  1.0 3.0
   39    33    38    40   0.62750  1.0 1.0
   39    33    38    40  -0.30950 -1.0 2.0
   39    33    38    40   0.27300  1.0 3.0
   39    33    38    44   0.62750  1.0 1.0
   39    33    38    44  -0.30950 -1.0 2.0
   39    33    38    44   0.27300  1.0 3.0
   39    33    38    48   0.62750  1.0 1.0
   39    33    38    48  -0.30950 -1.0 2.0
   39    33    38    48   0.27300  1.0 3.0
   39    52    53    54   3.62500 -1.0 2.0
   39    52    53    55   3.62500 -1.0 2.0
   39    52    67    60   3.62500 -1.0 2.0
   39    52    67    71   3.62500 -1.0 2.0
   52    53    55    56   3.62500 -1.0 2.0
   52    53    55    58   3.62500 -1.0 2.0
   52    67    71    76   0.01300  1.0 1.0
   52    67    71    76   0.97950 -1.0 2.0
   52    67    71    76  -0.55700  1.0 3.0
   53    52    67    60   3.62500 -1.0 2.0
   53    52    67    71   3.62500 -1.0 2.0
   53    55    56    57   3.62500 -1.0 2.0
   53    55   -56    60   3.62500 -1.0 2.0
   53    55    58    59   0.00000  1.0 1.0
   53    55    58    62   0.04150 -1.0 2.0
   53    55    58    65   0.14300 -1.0 2.0
   53    55    58    65   0.00300  1.0 3.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    58   3.62500 -1.0 2.0
   55    56    60    61   3.62500 -1.0 2.0
   55    56    60    67   3.62500 -1.0 2.0
   55    58    62    63   0.43200  1.0 3.0
   55    58    62    64   0.43200  1.0 3.0
   55    58    62    68   1.24050  1.0 1.0
   55    58    62    68   0.48100 -1.0 2.0
   55    58    62    68   1.08150  1.0 3.0
   55    58    65    66   0.31900  1.0 1.0
   55    58    65    66  -0.11800 -1.0 2.0
   55    58    65    66   0.38750  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    62   0.04150 -1.0 2.0
   56    55    58    65   0.14300 -1.0 2.0
   56    55    58    65   0.00300  1.0 3.0
   56    60   -67    52   3.62500 -1.0 2.0
   56    60    67    71   3.62500 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    67   3.62500 -1.0 2.0
   60    67    71    76   0.01300  1.0 1.0
   60    67    71    76   0.97950 -1.0 2.0
   60    67    71    76  -0.55700  1.0 3.0
   61    60    67    52   3.62500 -1.0 2.0
   61    60    67    71   3.62500 -1.0 2.0
   67    52    53    54   3.62500 -1.0 2.0
   67    52   -53    55   3.62500 -1.0 2.0
   67    71    76    77   3.00000 -1.0 2.0
   67    71    76    78   0.75600  1.0 1.0
   67    71    76    78   1.63000 -1.0 2.0
   71    76    78    79   0.36750  1.0 3.0
   71    76    78    83   0.36750  1.0 3.0
   71    76    78    87   0.36750  1.0 3.0
   76    78    79    80  -0.11250  1.0 3.0
   76    78    79    81  -0.11250  1.0 3.0
   76    78    79    82  -0.11250  1.0 3.0
   76    78    83    84  -0.11250  1.0 3.0
   76    78    83    85  -0.11250  1.0 3.0
   76    78    83    86  -0.11250  1.0 3.0
   76    78    87    88  -0.11250  1.0 3.0
   76    78    87    89  -0.11250  1.0 3.0
   76    78    87    90  -0.11250  1.0 3.0
   77    76    78    79   0.30150 -1.0 2.0
   77    76    78    83   0.30150 -1.0 2.0
   77    76    78    87   0.30150 -1.0 2.0
   79    78    83    84   0.15000  1.0 3.0
   79    78    83    85   0.15000  1.0 3.0
   79    78    83    86   0.15000  1.0 3.0
   79    78    87    88   0.15000  1.0 3.0
   79    78    87    89   0.15000  1.0 3.0
   79    78    87    90   0.15000  1.0 3.0
   83    78    79    80   0.15000  1.0 3.0
   83    78    79    81   0.15000  1.0 3.0
   83    78    79    82   0.15000  1.0 3.0
   83    78    87    88   0.15000  1.0 3.0
   83    78    87    89   0.15000  1.0 3.0
   83    78    87    90   0.15000  1.0 3.0
   87    78    79    80   0.15000  1.0 3.0
   87    78    79    81   0.15000  1.0 3.0
   87    78    79    82   0.15000  1.0 3.0
   87    78    83    84   0.15000  1.0 3.0
   87    78    83    85   0.15000  1.0 3.0
   87    78    83    86   0.15000  1.0 3.0
   58    55    56    57   3.62500 -1.0 2.0
   58    55    56    60   3.62500 -1.0 2.0
   58    62    68    69   0.17350  1.0 3.0
   58    62    68    70   0.17350  1.0 3.0
   58    62    68    72   0.47100  1.0 1.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    68   0.19200  1.0 3.0
   59    58    65    66   0.19450  1.0 3.0
   62    58    65    66  -0.11600  1.0 1.0
   62    58    65    66  -0.09450 -1.0 2.0
   62    58    65    66   0.21250  1.0 3.0
   62    68    72    73   0.15000  1.0 3.0
   62    68    72    74   0.15000  1.0 3.0
   62    68    72    75   0.15000  1.0 3.0
   63    62    68    69   0.13050  1.0 3.0
   63    62    68    70   0.13050  1.0 3.0
   63    62    68    72   0.15000  1.0 3.0
   64    62    68    69   0.13050  1.0 3.0
   64    62    68    70   0.13050  1.0 3.0
   64    62    68    72   0.15000  1.0 3.0
   69    68    72    73   0.13050  1.0 3.0
   69    68    72    74   0.13050  1.0 3.0
   69    68    72    75   0.13050  1.0 3.0
   70    68    72    73   0.13050  1.0 3.0
   70    68    72    74   0.13050  1.0 3.0
   70    68    72    75   0.13050  1.0 3.0
   65    58    62    63   0.23400  1.0 3.0
   65    58    62    64   0.23400  1.0 3.0
   65    58    62    68   1.69300  1.0 1.0
   65    58    62    68  -0.48450 -1.0 2.0
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
   53    67    52    39   4.00000 -1.0 2.0
   55    54    53    52   1.10000 -1.0 2.0
   56    58    55    53   4.00000 -1.0 2.0
   60    57    56    55   1.10000 -1.0 2.0
   67    61    60    56   1.10000 -1.0 2.0
   60    71    67    52   4.00000 -1.0 2.0
   71    78    76    77  10.50000 -1.0 2.0
END
