* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    154    218     447
    1     0 S   NP   _N1_     1    28.98552    95.49061   -25.12118
    2     1 S   H    _HN1     2     1.02825    33.02552  -176.48531
    3     1 S   H    _H1_     3     1.02802   118.13336   -97.07087
    4     1 S   H    _H2_     4     1.02947    74.09682     5.60294
    5     1 S   CT   _CA1     5     1.50121   124.84039   109.71979
    6     5 S   HC   _HA1     6     1.09572   105.17169    93.28194
    7     5 S   CO3  _C1_     7     1.53747   112.48058   -27.00891
    8     7 S   O2Z  _O11     8     1.26381   115.00259   -42.51602
    9     7 S   O2Z  _O12     9     1.26219   114.92999   136.51723
   10     5 S   CT   _CB1    10     1.53037   107.41714  -148.68488
   11    10 S   HC   HB11    11     1.09850   109.36218   -48.95068
   12    10 S   HC   HB12    12     1.09813   110.45831    67.63017
   13    10 S   CT   _CG1    13     1.53052   112.66752  -169.84487
   14    13 S   HC   HG11    14     1.09560   110.85106   -67.80035
   15    13 S   HC   HG12    15     1.09660   109.65399    51.47822
   16    13 S   C    _CD1    16     1.51788   111.67297   172.12057
   17    16 S   O    _OE1    17     1.22775   123.05416    17.92444
   18    16 S   N    _N2_    18     1.38587   112.02664  -162.31070
   19    18 S   H    _HN2    19     1.01635   119.15464     0.89351
   20    18 S   CT1  _CA2    20     1.46230   123.33534   175.96828
   21    20 S   HC   _HA2    21     1.09734   109.31813     8.89470
   22    20 S   C    _C2_    22     1.53716   108.92788  -106.65123
   23    22 S   O    _O2_    23     1.23087   122.19381  -149.36598
   24    20 S   CT   _CB2    32     1.53278   111.45904   130.94589
   25    24 S   HC   HB21    33     1.09437   109.69874    56.07766
   26    24 S   HC   HB22    34     1.09511   110.31865   174.93577
   27    22 S   N    _N3_    24     1.38297   113.92088    38.19264
   28    27 S   H    _HN3    25     1.01525   119.63488    -3.35649
   29    24 S   S    _SG2    35     1.82775   111.51856   -65.46279
   30    27 S   CT   _CA3    26     1.45283   123.35101   177.22307
   31    30 S   HC   HA31    27     1.09546   107.51661   -64.71072
   32    30 S   HC   HA32    28     1.09553   108.00439    51.76686
   33    29 S   CT   _C12    36     1.84142    99.51669   178.06730
   34    33 S   HC   _H7_    37     1.09741   106.28138    44.70717
   35    30 S   CO3  _C3_    29     1.52997   113.98993   173.73831
   36    35 S   O2Z  _O31    30     1.26397   116.07042    -1.09539
   37    35 S   O2Z  _O32    31     1.26424   114.42778   178.96353
   38    33 S   CT   _C11    38     1.54193   109.33670   160.12228
   39    38 S   HC   _H6_    39     1.09705   110.78276   -57.33992
   40    38 S   CT   _C10    40     1.53503   109.12621  -177.04249
   41    40 S   HC   _H5_    41     1.09743   108.06489    63.42906
   42    38 S   OH   _O44    85     1.42672   111.93256    61.41914
   43    42 S   HO   _H19    86     0.97267   107.43352   -42.15764
   44    40 S   CT   _C9_    42     1.53822   113.35281   -56.61572
   45    44 S   HC   _H4_    43     1.09721   107.10618   173.28665
   46    40 S   OH   _O45    83     1.42504   109.63925   178.80450
   47    46 S   HO   _H20    84     0.97248   107.63071   165.88223
   48    44 S   CT   _C14    44     1.53946   111.27975    53.28806
   49    48 S   HC   _H9_    45     1.09632   109.28149  -171.37589
   50    44 S   OS   _O38    56     1.42602   110.58922   -68.45902
   51    33 S   CT   _C13    46     1.54614   112.71234   -74.15283
   52    51 S   HC   _H8_    47     1.09617   108.60766    62.64592
   53    48 S   OH   _O39    54     1.42921   108.91446    70.94711
   54    53 S   HO   _H17    55     0.97313   107.05531    66.18921
   55    50 S   P2   _P1_    57     1.63476   119.31629  -134.72809
   56    55 S   O2Z  _O37    58     1.51368   109.28230   -35.46628
   57    55 S   O2Z  _O36    59     1.51268   108.59311  -168.62357
   58    51 S   OS   _O40    48     1.42610   110.78145   -57.57295
   59    55 S   OS   _O35    60     1.63680    99.37972    77.42935
   60    58 S   P2   _P2_    49     1.63186   119.83691   136.37686
   61    60 S   O2Z  _O43    50     1.51146   110.28306    39.78619
   62    60 S   O2Z  _O41    51     1.51118   108.61818   174.46218
   63    59 S   CT   _C8_    61     1.42473   118.91089    76.66742
   64    63 S   HC   _H15    62     1.09378   108.53954   -65.97402
   65    63 S   HC   _H16    63     1.09458   109.01542    52.44641
   66    60 S   OS   _O42    52     1.63178    99.19977   -73.85060
   67    66 S   HO   _H18    53     0.97917   115.35330   -81.19554
   68    63 S   CT   _C7_    64     1.52960   110.15675   172.20112
   69    68 S   HC   _H3_    65     1.09716   109.90557  -172.00218
   70    68 S   CT   _C6_    66     1.53024   112.14480   -50.64903
   71    70 S   HC   _H13    67     1.09622   110.97712    71.27008
   72    70 S   HC   _H14    68     1.09580   110.44905   -51.26925
   73    68 S   OS   _O46    76     1.44810   109.43426    68.06745
   74    70 S   OS   _O34    69     1.44104   108.01480  -170.08906
   75    73 S   CO4  _C15    77     1.36291   117.27147    89.81508
   76    75 S   O    _O47    78     1.22322   126.45272    -1.48872
   77    74 S   CO4  _C5_    70     1.36238   115.56504  -179.91153
   78    77 S   O    _O33    71     1.22326   126.29236    -0.23573
   79    75 S   CT   _C16    79     1.49885   109.56071   177.13843
   80    79 S   HC   _H21    80     1.09258   109.66065   -71.80364
   81    79 S   HC   _H22    81     1.09373   109.32052   168.55643
   82    79 S   HC   _H23    82     1.09305   110.17742    49.94941
   83    77 S   CT   _C4_    72     1.49841   109.57638   179.79633
   84    83 S   HC   _H10    73     1.09292   109.83455   -60.73961
   85    83 S   HC   _H11    74     1.09380   109.36072  -179.76845
   86    83 S   HC   _H12    75     1.09289   109.83436    61.17510
  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  10   5   4   3
  16   8   2   1   1  14   7  13   7   4   1  15   7   3   1   9
   6   7   8   3   2   1   7   3   2   5   7   4   3   2  10   5
   4   1   1  10   6   8   4   3   7   6   5   4   5   4   3   2
   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    51    52    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    52    58    60    53    46    42    43  
   38    39    40    48    51    52    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    51    52    58    50    46    47    42    43  
   40    41    44    51    46    42    43  
   41    44    45    48    49    51    53    50    55    46    47    42    43  
   44    45    48    50    46    47    42  
   43    44    46    51  
    0  
   45    48    49    51    52    58    53    54    50    55    56    57    59    46    47  
   48    49    51    53    50    55    46  
   47    48    50  
    0  
   49    51    52    58    60    53    54    50    55  
   51    52    58    53    54    50  
   55    56    57    59    63    51    53  
   52    58    60    61    62    66    53    54  
   58    60    53  
   54    58  
    0  
   56    57    59    63    64    65    68  
   57    59    63  
   59    63  
   60    61    62    66    67  
   63    64    65    68    69    70    73  
   61    62    66    67  
   62    66    67  
   66    67  
   64    65    68    69    70    71    72    74    73    75  
   65    68    69    70    73  
   68    69    70    73  
   67  
    0  
   69    70    71    72    74    77    73    75    76    79  
   70    71    72    74    73    75  
   71    72    74    77    78    83    73    75  
   72    74    77    73  
   74    77    73  
   75    76    79    80    81    82    74  
   77    78    83    84    85    86  
   76    79    80    81    82  
   79    80    81    82  
   78    83    84    85    86  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   56   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   57   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   58   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   59   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   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   2.4200   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   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    53   320.000  1.410
   51    52   340.000  1.090
   51    58   320.000  1.410
   58    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    66   230.000  1.697
   66    67   553.000  0.945
   53    54   553.000  0.945
   50    55   230.000  1.697
   55    56   525.000  1.480
   55    57   525.000  1.480
   55    59   230.000  1.697
   59    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   320.000  1.410
   74    77   214.000  1.327
   77    78   570.000  1.229
   77    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   46    47   553.000  0.945
   42    43   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    51    48    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    51    58.35000  112.70000
   44    48    53    50.00000  109.50000
   44    50    55   100.00000  120.50000
   48    44    45    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    58    50.00000  109.50000
   48    53    54    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    58    60   100.00000  120.50000
   58    51    52    35.00000  109.50000
   58    60    61   100.00000  108.23000
   58    60    62   100.00000  108.23000
   58    60    66    45.00000  102.60000
   60    66    67    45.00000  108.50000
   62    60    61   140.00000  119.90000
   66    60    61   100.00000  108.23000
   66    60    62   100.00000  108.23000
   53    48    49    35.00000  109.50000
   53    48    51    50.00000  109.50000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   50    55    56   100.00000  108.23000
   50    55    57   100.00000  108.23000
   50    55    59    45.00000  102.60000
   55    59    63   100.00000  120.50000
   57    55    56   140.00000  119.90000
   59    55    56   100.00000  108.23000
   59    55    57   100.00000  108.23000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    63    68    50.00000  109.50000
   63    68    69    37.50000  110.70000
   63    68    70    58.35000  112.70000
   63    68    73    50.00000  109.50000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    74    50.00000  109.50000
   68    73    75    83.00000  116.90000
   70    68    69    37.50000  110.70000
   70    74    77    83.00000  116.90000
   72    70    71    33.00000  107.80000
   74    70    71    35.00000  109.50000
   74    70    72    35.00000  109.50000
   74    77    78    83.00000  123.40000
   74    77    83    81.00000  111.40000
   77    83    84    35.00000  109.50000
   77    83    85    35.00000  109.50000
   77    83    86    35.00000  109.50000
   83    77    78    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    50.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    79    81.00000  111.40000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   79    75    76    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    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   0.32350  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    39   0.15000  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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    51    48   0.44750  1.0 1.0
   29    33    51    48  -0.17800 -1.0 2.0
   29    33    51    48   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    58   0.56750  1.0 1.0
   29    33    51    58  -0.07550 -1.0 2.0
   29    33    51    58   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    51    58    60  -2.65550  1.0 1.0
   33    51    58    60  -0.22350 -1.0 2.0
   33    51    58    60   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    58   0.23400  1.0 3.0
   38    33    51    48   0.56750  1.0 1.0
   38    33    51    48  -0.07550 -1.0 2.0
   38    33    51    48   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    58   0.62750  1.0 1.0
   38    33    51    58  -0.30950 -1.0 2.0
   38    33    51    58   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.62750  1.0 1.0
   38    40    44    50  -0.30950 -1.0 2.0
   38    40    44    50   0.27300  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    51   0.56750  1.0 1.0
   40    44    48    51  -0.07550 -1.0 2.0
   40    44    48    51   0.20000  1.0 3.0
   40    44    48    53   0.86500  1.0 1.0
   40    44    48    53  -0.17500 -1.0 2.0
   40    44    48    53   0.20800  1.0 3.0
   40    44    50    55  -2.65550  1.0 1.0
   40    44    50    55  -0.22350 -1.0 2.0
   40    44    50    55   0.24150  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -51    33   0.56750  1.0 1.0
   44    48   -51    33  -0.07550 -1.0 2.0
   44    48   -51    33   0.20000  1.0 3.0
   44    48    51    52   0.15000  1.0 3.0
   44    48    51    58   0.62750  1.0 1.0
   44    48    51    58  -0.30950 -1.0 2.0
   44    48    51    58   0.27300  1.0 3.0
   44    48    53    54  -0.11600  1.0 1.0
   44    48    53    54  -0.09450 -1.0 2.0
   44    48    53    54   0.21250  1.0 3.0
   44    50    55    56   0.00000  1.0 1.0
   44    50    55    57   0.00000  1.0 1.0
   44    50    55    59   0.05050  1.0 1.0
   44    50    55    59  -1.30700 -1.0 2.0
   44    50    55    59   0.91550  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   45    44    48    53   0.23400  1.0 3.0
   45    44    50    55   0.03000  1.0 3.0
   48    44    50    55  -2.65550  1.0 1.0
   48    44    50    55  -0.22350 -1.0 2.0
   48    44    50    55   0.24150  1.0 3.0
   48    51    58    60  -2.65550  1.0 1.0
   48    51    58    60  -0.22350 -1.0 2.0
   48    51    58    60   0.24150  1.0 3.0
   49    48    51    33   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    58   0.23400  1.0 3.0
   49    48    53    54   0.19450  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40   0.56750  1.0 1.0
   51    33   -38    40  -0.07550 -1.0 2.0
   51    33   -38    40   0.20000  1.0 3.0
   51    33    38    42   0.86500  1.0 1.0
   51    33    38    42  -0.17500 -1.0 2.0
   51    33    38    42   0.20800  1.0 3.0
   51    48    53    54  -0.11600  1.0 1.0
   51    48    53    54  -0.09450 -1.0 2.0
   51    48    53    54   0.21250  1.0 3.0
   51    58    60    61   0.00000  1.0 1.0
   51    58    60    62   0.00000  1.0 1.0
   51    58    60    66   0.05050  1.0 1.0
   51    58    60    66  -1.30700 -1.0 2.0
   51    58    60    66   0.91550  1.0 3.0
   52    51    58    60   0.03000  1.0 3.0
   58    60    66    67   0.00000  1.0 1.0
   61    60    66    67   0.00000  1.0 1.0
   62    60    66    67   0.00000  1.0 1.0
   53    48    51    33   0.86500  1.0 1.0
   53    48    51    33  -0.17500 -1.0 2.0
   53    48    51    33   0.20800  1.0 3.0
   53    48    51    52   0.23400  1.0 3.0
   53    48    51    58   3.69350  1.0 1.0
   53    48    51    58  -1.82950 -1.0 2.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    51   0.62750  1.0 1.0
   50    44    48    51  -0.30950 -1.0 2.0
   50    44    48    51   0.27300  1.0 3.0
   50    44    48    53   3.69350  1.0 1.0
   50    44    48    53  -1.82950 -1.0 2.0
   50    55    59    63   0.05050  1.0 1.0
   50    55    59    63  -1.30700 -1.0 2.0
   50    55    59    63   0.91550  1.0 3.0
   55    59    63    64   0.03000  1.0 3.0
   55    59    63    65   0.03000  1.0 3.0
   55    59    63    68  -2.65550  1.0 1.0
   55    59    63    68  -0.22350 -1.0 2.0
   55    59    63    68   0.24150  1.0 3.0
   56    55    59    63   0.00000  1.0 1.0
   57    55    59    63   0.00000  1.0 1.0
   59    63    68    69   0.23400  1.0 3.0
   59    63    68    70   0.62750  1.0 1.0
   59    63    68    70  -0.30950 -1.0 2.0
   59    63    68    70   0.27300  1.0 3.0
   59    63    68    73   1.11900  1.0 1.0
   59    63    68    73  -1.16350 -1.0 2.0
   59    63    68    73  -0.34150  1.0 3.0
   63    68    70    71   0.15000  1.0 3.0
   63    68    70    72   0.15000  1.0 3.0
   63    68    70    74   0.62750  1.0 1.0
   63    68    70    74  -0.30950 -1.0 2.0
   63    68    70    74   0.27300  1.0 3.0
   63    68    73    75  -0.25900  1.0 1.0
   63    68    73    75  -0.47000 -1.0 2.0
   63    68    73    75   0.11750  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    73   0.23400  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    73   0.23400  1.0 3.0
   68    70    74    77  -0.25900  1.0 1.0
   68    70    74    77  -0.47000 -1.0 2.0
   68    70    74    77   0.11750  1.0 3.0
   68    73    75    76   3.00000 -1.0 2.0
   68    73    75    79   1.63150  1.0 1.0
   68    73    75    79   2.92000 -1.0 2.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    74   0.23400  1.0 3.0
   69    68    73    75   0.08050  1.0 3.0
   70    68    73    75  -0.25900  1.0 1.0
   70    68    73    75  -0.47000 -1.0 2.0
   70    68    73    75   0.11750  1.0 3.0
   70    74    77    78   3.00000 -1.0 2.0
   70    74    77    83   1.63150  1.0 1.0
   70    74    77    83   2.92000 -1.0 2.0
   71    70    74    77   0.08050  1.0 3.0
   72    70    74    77   0.08050  1.0 3.0
   74    77    83    84   0.00000  1.0 1.0
   74    77    83    85   0.00000  1.0 1.0
   74    77    83    86   0.00000  1.0 1.0
   78    77    83    84   0.00000  1.0 1.0
   78    77    83    85   0.00000  1.0 1.0
   78    77    83    86   0.00000  1.0 1.0
   73    68    70    71   0.23400  1.0 3.0
   73    68    70    72   0.23400  1.0 3.0
   73    68    70    74   1.11900  1.0 1.0
   73    68    70    74  -1.16350 -1.0 2.0
   73    68    70    74  -0.34150  1.0 3.0
   73    75    79    80   0.00000  1.0 1.0
   73    75    79    81   0.00000  1.0 1.0
   73    75    79    82   0.00000  1.0 1.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   0.00000  1.0 1.0
   76    75    79    82   0.00000  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.69350  1.0 1.0
   46    40    44    50  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   74    83    77    78  10.50000 -1.0 2.0
   73    79    75    76  10.50000 -1.0 2.0
END
