* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    153    215     442
    1     0 S   NP   _N1_     1    28.79626    97.01871   -19.72582
    2     1 S   H    _HN1     2     1.02959    78.64775    22.34498
    3     1 S   H    _H1_     3     1.02829    46.49749   149.38504
    4     1 S   H    _H2_     4     1.02777    83.25003   -87.96926
    5     1 S   CT   _CA1     5     1.50074   156.90522   138.08089
    6     5 S   HC   _HA1     6     1.09569   105.28756    67.83928
    7     5 S   CO3  _C1_     7     1.53835   112.47311   -52.49704
    8     7 S   O2Z  _O11     8     1.26334   114.95536   -42.22785
    9     7 S   O2Z  _O12     9     1.26243   114.99427   137.10773
   10     5 S   CT   _CB1    10     1.53116   107.45549  -174.08553
   11    10 S   HC   HB11    11     1.09813   109.57111   -50.45097
   12    10 S   HC   HB12    12     1.09819   110.36111    66.25255
   13    10 S   CT   _CG1    13     1.52878   112.39959  -171.50888
   14    13 S   HC   HG11    14     1.09507   110.25647   -61.59344
   15    13 S   HC   HG12    15     1.09649   110.03088    57.56218
   16    13 S   C    _CD1    16     1.51691   112.64592   178.32965
   17    16 S   O    _OE1    17     1.22687   123.41730    -2.69246
   18    16 S   N    _N2_    18     1.38618   111.33447   177.27372
   19    18 S   H    _HN2    19     1.01580   118.94401     2.70371
   20    18 S   CT1  _CA2    20     1.46204   123.61480  -178.92589
   21    20 S   HC   _HA2    21     1.09727   109.42850    -3.07326
   22    20 S   C    _C2_    22     1.53436   108.67022  -118.74771
   23    22 S   O    _O2_    23     1.23039   122.33561  -149.37320
   24    20 S   CT   _CB2    32     1.53384   110.97377   118.89638
   25    24 S   HC   HB21    33     1.09551   109.49408    55.46590
   26    24 S   HC   HB22    34     1.09468   110.52508   174.37186
   27    22 S   N    _N3_    24     1.38360   113.62961    38.18635
   28    27 S   H    _HN3    25     1.01618   119.51483    -3.60793
   29    24 S   S    _SG2    35     1.82933   111.12853   -66.26142
   30    27 S   CT   _CA3    26     1.45286   123.12928   176.95676
   31    30 S   HC   HA31    27     1.09552   107.50810   -64.17144
   32    30 S   HC   HA32    28     1.09558   107.96709    52.23713
   33    29 S   CT   _C13    36     1.85353   100.57373   147.01858
   34    33 S   HC   _H8_    37     1.09701   106.21168   -42.09611
   35    30 S   CO3  _C3_    29     1.52933   114.14536   174.21758
   36    35 S   O2Z  _O31    30     1.26366   116.07218    -1.34013
   37    35 S   O2Z  _O32    31     1.26432   114.40835   178.72928
   38    33 S   CT   _C12    38     1.54066   110.81055    77.53676
   39    38 S   HC   _H7_    39     1.09718   111.16352    46.13423
   40    38 S   CT   _C11    40     1.53867   112.27105   169.22495
   41    40 S   HC   _H6_    41     1.09704   109.60318    70.82236
   42    38 S   OH   _O40    84     1.43174   108.48244   -71.11484
   43    42 S   HO   _H18    85     0.97745   108.02649  -160.40194
   44    40 S   CT   _C10    42     1.52850   112.24738   -51.49980
   45    44 S   HC   _H5_    43     1.09459   110.66965  -179.30086
   46    40 S   OS   _O41    79     1.43150   108.34435  -169.81223
   47    44 S   CT   _C9_    44     1.52901   110.24899    57.20502
   48    47 S   HC   _H4_    45     1.09718   110.09741    61.64757
   49    44 S   OH   _O45    77     1.43347   109.21571   -62.88024
   50    49 S   HO   _H19    78     0.97418   106.39276   -55.24929
   51    46 S   P3   _P2_    80     1.64731   119.66458  -111.66640
   52    51 S   O2Z  _O43    81     1.52442   103.51432  -177.56418
   53    51 S   O2Z  _O44    82     1.52510   104.05180    62.92263
   54    51 S   O2Z  _O42    83     1.52428   104.60198   -57.62308
   55    33 S   CT   _C14    46     1.54246   107.76255  -158.30559
   56    55 S   HC   _H9_    47     1.09723   111.15672   -51.09415
   57    47 S   OS   _O38    50     1.42964   109.65898  -178.95845
   58    55 S   OH   _O39    48     1.43239   109.42872    65.89637
   59    58 S   HO   _H17    49     0.97223   108.27931    70.93973
   60    57 S   P2   _P1_    51     1.63484   119.94934   -94.90949
   61    60 S   O2Z  _O37    52     1.51228   109.31757    45.37183
   62    60 S   O2Z  _O36    53     1.51331   108.26465   178.26472
   63    60 S   OS   _O35    54     1.63468    99.91847   -67.72935
   64    63 S   CT   _C8_    55     1.42416   119.06832   -74.28307
   65    64 S   HC   _H15    56     1.09458   108.31272   -66.76949
   66    64 S   HC   _H16    57     1.09436   109.02388    51.97600
   67    64 S   CT   _C7_    58     1.52732   108.44579   173.18989
   68    67 S   HC   _H3_    59     1.09689   109.59643    50.44816
   69    67 S   CT   _C6_    60     1.52909   110.70843   173.20061
   70    69 S   HC   _H13    61     1.09583   110.55710    69.56601
   71    69 S   HC   _H14    62     1.09596   110.25879   -52.24442
   72    67 S   OS   _O46    70     1.45003   107.11917   -68.29855
   73    69 S   OS   _O34    63     1.43818   108.69560  -171.44678
   74    72 S   CO4  _C15    71     1.36236   117.99833   144.67668
   75    74 S   O    _O47    72     1.22319   126.70007    -0.44146
   76    73 S   CO4  _C5_    64     1.36191   115.73965   175.66225
   77    76 S   O    _O33    65     1.22354   126.33639    -1.93178
   78    74 S   CT   _C16    73     1.49880   109.41736  -179.05374
   79    78 S   HC   _H20    74     1.09230   109.98534   -51.05310
   80    78 S   HC   _H21    75     1.09364   109.38315  -169.64434
   81    78 S   HC   _H22    76     1.09260   109.72702    70.68246
   82    76 S   CT   _C4_    66     1.49846   109.59425   179.44893
   83    82 S   HC   _H10    67     1.09298   110.08215   -51.84341
   84    82 S   HC   _H11    68     1.09374   109.33032  -170.47862
   85    82 S   HC   _H12    69     1.09260   109.70906    69.95072
  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  16   7   4   1  12   7   6  12   6
   3   1   3   2   1   1   5   3   6   1   1   7   3   2   7  10
   5   4  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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    55    56    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    55    56    58    59    57    46    42    43  
   38    39    40    47    55    56    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    55    56    58    49    46    51    42    43  
   40    41    44    55    46    42    43  
   41    44    45    47    48    55    57    49    50    46    51    52    53    54    42    43  
   44    45    47    49    46    51    42  
   43    44    46    55  
    0  
   45    47    48    55    56    58    57    60    49    50    46    51  
   47    48    55    57    49    50    46  
   51    52    53    54    47    49  
   48    55    56    58    59    57    60    61    62    63    49    50  
   55    56    58    57    60    49  
   50    55    57  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    58    59    57    60  
   58    59    57  
   60    61    62    63    64    58  
   59  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64    65    66    67    68    69    72  
   65    66    67    68    69    70    71    73    72    74  
   66    67    68    69    72  
   67    68    69    72  
   68    69    70    71    73    76    72    74    75    78  
   69    70    71    73    72    74  
   70    71    73    76    77    82    72    74  
   71    73    76    72  
   73    76    72  
   74    75    78    79    80    81    73  
   76    77    82    83    84    85  
   75    78    79    80    81  
   78    79    80    81  
   77    82    83    84    85  
   82    83    84    85  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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   0.140000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7400   0.2000   1.760000   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   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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
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    55   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    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    57   320.000  1.410
   55    56   340.000  1.090
   55    58   320.000  1.410
   58    59   553.000  0.945
   57    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    63   230.000  1.697
   63    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   320.000  1.410
   73    76   214.000  1.327
   76    77   570.000  1.229
   76    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    78   317.000  1.522
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   49    50   553.000  0.945
   46    51   230.000  1.630
   51    52   525.000  1.516
   51    53   525.000  1.516
   51    54   525.000  1.516
   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    55    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    55    47    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    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    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    51    80.00000  112.68000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    55    58.35000  112.70000
   44    47    57    50.00000  109.50000
   44    49    50    55.00000  108.50000
   47    44    45    37.50000  110.70000
   47    55    56    37.50000  110.70000
   47    55    58    50.00000  109.50000
   47    57    60   100.00000  120.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    47    48    37.50000  110.70000
   55    58    59    55.00000  108.50000
   58    55    56    35.00000  109.50000
   57    47    48    35.00000  109.50000
   57    47    55    50.00000  109.50000
   57    60    61   100.00000  108.23000
   57    60    62   100.00000  108.23000
   57    60    63    45.00000  102.60000
   60    63    64   100.00000  120.50000
   62    60    61   140.00000  119.90000
   63    60    61   100.00000  108.23000
   63    60    62   100.00000  108.23000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    67    50.00000  109.50000
   64    67    68    37.50000  110.70000
   64    67    69    58.35000  112.70000
   64    67    72    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    73    50.00000  109.50000
   67    72    74    83.00000  116.90000
   69    67    68    37.50000  110.70000
   69    73    76    83.00000  116.90000
   71    69    70    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    35.00000  109.50000
   73    76    77    83.00000  123.40000
   73    76    82    81.00000  111.40000
   76    82    83    35.00000  109.50000
   76    82    84    35.00000  109.50000
   76    82    85    35.00000  109.50000
   82    76    77    80.00000  120.40000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    50.00000  109.50000
   72    74    75    83.00000  123.40000
   72    74    78    81.00000  111.40000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   78    74    75    80.00000  120.40000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    51    52   100.00000  107.00000
   46    51    53   100.00000  107.00000
   46    51    54   100.00000  107.00000
   53    51    52   140.00000  114.00000
   54    51    52   140.00000  114.00000
   54    51    53   140.00000  114.00000
   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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    58   0.56750  1.0 1.0
   29    33    55    58  -0.07550 -1.0 2.0
   29    33    55    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   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  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    55    58    59  -0.11600  1.0 1.0
   33    55    58    59  -0.09450 -1.0 2.0
   33    55    58    59   0.21250  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    55    47   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    58   0.23400  1.0 3.0
   38    33    55    47   0.56750  1.0 1.0
   38    33    55    47  -0.07550 -1.0 2.0
   38    33    55    47   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    58   0.86500  1.0 1.0
   38    33    55    58  -0.17500 -1.0 2.0
   38    33    55    58   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.86500  1.0 1.0
   38    40    44    49  -0.17500 -1.0 2.0
   38    40    44    49   0.20800  1.0 3.0
   38    40    46    51  -2.65550  1.0 1.0
   38    40    46    51  -0.22350 -1.0 2.0
   38    40    46    51   0.24150  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    47    48   0.15000  1.0 3.0
   40    44    47    55   0.56750  1.0 1.0
   40    44    47    55  -0.07550 -1.0 2.0
   40    44    47    55   0.20000  1.0 3.0
   40    44    47    57   0.62750  1.0 1.0
   40    44    47    57  -0.30950 -1.0 2.0
   40    44    47    57   0.27300  1.0 3.0
   40    44    49    50  -0.11600  1.0 1.0
   40    44    49    50  -0.09450 -1.0 2.0
   40    44    49    50   0.21250  1.0 3.0
   40    46    51    52   0.00000  1.0 1.0
   40    46    51    53   0.00000  1.0 1.0
   40    46    51    54   0.00000  1.0 1.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    51   0.03000  1.0 3.0
   44    40    46    51  -2.65550  1.0 1.0
   44    40    46    51  -0.22350 -1.0 2.0
   44    40    46    51   0.24150  1.0 3.0
   44    47   -55    33   0.56750  1.0 1.0
   44    47   -55    33  -0.07550 -1.0 2.0
   44    47   -55    33   0.20000  1.0 3.0
   44    47    55    56   0.15000  1.0 3.0
   44    47    55    58   0.86500  1.0 1.0
   44    47    55    58  -0.17500 -1.0 2.0
   44    47    55    58   0.20800  1.0 3.0
   44    47    57    60  -2.65550  1.0 1.0
   44    47    57    60  -0.22350 -1.0 2.0
   44    47    57    60   0.24150  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    55   0.15000  1.0 3.0
   45    44    47    57   0.23400  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   47    44    49    50  -0.11600  1.0 1.0
   47    44    49    50  -0.09450 -1.0 2.0
   47    44    49    50   0.21250  1.0 3.0
   47    55    58    59  -0.11600  1.0 1.0
   47    55    58    59  -0.09450 -1.0 2.0
   47    55    58    59   0.21250  1.0 3.0
   47    57    60    61   0.00000  1.0 1.0
   47    57    60    62   0.00000  1.0 1.0
   47    57    60    63   0.05050  1.0 1.0
   47    57    60    63  -1.30700 -1.0 2.0
   47    57    60    63   0.91550  1.0 3.0
   48    47    55    33   0.15000  1.0 3.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    58   0.23400  1.0 3.0
   48    47    57    60   0.03000  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.86500  1.0 1.0
   55    33    38    42  -0.17500 -1.0 2.0
   55    33    38    42   0.20800  1.0 3.0
   55    47    57    60  -2.65550  1.0 1.0
   55    47    57    60  -0.22350 -1.0 2.0
   55    47    57    60   0.24150  1.0 3.0
   56    55    58    59   0.19450  1.0 3.0
   57    47    55    33   0.62750  1.0 1.0
   57    47    55    33  -0.30950 -1.0 2.0
   57    47    55    33   0.27300  1.0 3.0
   57    47    55    56   0.23400  1.0 3.0
   57    47    55    58   3.69350  1.0 1.0
   57    47    55    58  -1.82950 -1.0 2.0
   57    60    63    64   0.05050  1.0 1.0
   57    60    63    64  -1.30700 -1.0 2.0
   57    60    63    64   0.91550  1.0 3.0
   60    63    64    65   0.03000  1.0 3.0
   60    63    64    66   0.03000  1.0 3.0
   60    63    64    67  -2.65550  1.0 1.0
   60    63    64    67  -0.22350 -1.0 2.0
   60    63    64    67   0.24150  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   62    60    63    64   0.00000  1.0 1.0
   63    64    67    68   0.23400  1.0 3.0
   63    64    67    69   0.62750  1.0 1.0
   63    64    67    69  -0.30950 -1.0 2.0
   63    64    67    69   0.27300  1.0 3.0
   63    64    67    72   1.11900  1.0 1.0
   63    64    67    72  -1.16350 -1.0 2.0
   63    64    67    72  -0.34150  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    69    71   0.15000  1.0 3.0
   64    67    69    73   0.62750  1.0 1.0
   64    67    69    73  -0.30950 -1.0 2.0
   64    67    69    73   0.27300  1.0 3.0
   64    67    72    74  -0.25900  1.0 1.0
   64    67    72    74  -0.47000 -1.0 2.0
   64    67    72    74   0.11750  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    72   0.23400  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    72   0.23400  1.0 3.0
   67    69    73    76  -0.25900  1.0 1.0
   67    69    73    76  -0.47000 -1.0 2.0
   67    69    73    76   0.11750  1.0 3.0
   67    72    74    75   3.00000 -1.0 2.0
   67    72    74    78   1.63150  1.0 1.0
   67    72    74    78   2.92000 -1.0 2.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    73   0.23400  1.0 3.0
   68    67    72    74   0.08050  1.0 3.0
   69    67    72    74  -0.25900  1.0 1.0
   69    67    72    74  -0.47000 -1.0 2.0
   69    67    72    74   0.11750  1.0 3.0
   69    73    76    77   3.00000 -1.0 2.0
   69    73    76    82   1.63150  1.0 1.0
   69    73    76    82   2.92000 -1.0 2.0
   70    69    73    76   0.08050  1.0 3.0
   71    69    73    76   0.08050  1.0 3.0
   73    76    82    83   0.00000  1.0 1.0
   73    76    82    84   0.00000  1.0 1.0
   73    76    82    85   0.00000  1.0 1.0
   77    76    82    83   0.00000  1.0 1.0
   77    76    82    84   0.00000  1.0 1.0
   77    76    82    85   0.00000  1.0 1.0
   72    67    69    70   0.23400  1.0 3.0
   72    67    69    71   0.23400  1.0 3.0
   72    67    69    73   1.11900  1.0 1.0
   72    67    69    73  -1.16350 -1.0 2.0
   72    67    69    73  -0.34150  1.0 3.0
   72    74    78    79   0.00000  1.0 1.0
   72    74    78    80   0.00000  1.0 1.0
   72    74    78    81   0.00000  1.0 1.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    55   0.86500  1.0 1.0
   49    44    47    55  -0.17500 -1.0 2.0
   49    44    47    55   0.20800  1.0 3.0
   49    44    47    57   3.69350  1.0 1.0
   49    44    47    57  -1.82950 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -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   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -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
   73    82    76    77  10.50000 -1.0 2.0
   72    78    74    75  10.50000 -1.0 2.0
END
