* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    151    236     445
    1     0 S   NP   _N1_     1    29.52213    93.18778   -25.87089
    2     1 S   H    _HN1     2     1.02792   121.18679  -102.46201
    3     1 S   H    _H1_     3     1.02950    90.37980     9.39796
    4     1 S   H    _H2_     4     1.02829    18.11031  -148.32551
    5     1 S   CT   _CA1     5     1.50121   111.86249   121.64674
    6     5 S   HC   _HA1     6     1.09576   105.17599    78.70005
    7     5 S   CO3  _C1_     7     1.53779   112.43581   -41.51926
    8     7 S   O2Z  _O11     8     1.26377   115.00704   -43.20870
    9     7 S   O2Z  _O12     9     1.26238   114.93935   135.82433
   10     5 S   CT   _CB1    10     1.53067   107.40851  -163.33751
   11    10 S   HC   HB11    11     1.09840   109.34789   -49.53267
   12    10 S   HC   HB12    12     1.09813   110.47250    67.06695
   13    10 S   CT   _CG1    13     1.53011   112.62074  -170.47738
   14    13 S   HC   HG11    14     1.09577   110.69268   -66.55836
   15    13 S   HC   HG12    15     1.09672   109.73599    52.68605
   16    13 S   C    _CD1    16     1.51810   112.07373   173.15364
   17    16 S   O    _OE1    17     1.22757   123.21807    10.19507
   18    16 S   N    _N2_    18     1.38647   111.77862  -169.90613
   19    18 S   H    _HN2    19     1.01582   119.03560     1.06551
   20    18 S   CT1  _CA2    20     1.46168   123.34061   177.01384
   21    20 S   HC   _HA2    21     1.09755   109.23494     5.32543
   22    20 S   C    _C2_    22     1.53612   109.07850  -110.07839
   23    22 S   O    _O2_    23     1.23077   122.21459  -150.42736
   24    20 S   CT   _CB2    32     1.53247   111.67753   127.13794
   25    24 S   HC   HB21    33     1.09584   110.46379    56.22823
   26    24 S   HC   HB22    34     1.09368   109.95028   175.15374
   27    22 S   N    _N3_    24     1.38303   113.84334    37.19637
   28    27 S   H    _HN3    25     1.01558   119.57591    -3.61688
   29    24 S   S    _SG2    35     1.82654   111.44057   -64.42384
   30    27 S   CT   _CA3    26     1.45278   123.26896   177.00651
   31    30 S   HC   HA31    27     1.09549   107.54129   -63.85532
   32    30 S   HC   HA32    28     1.09555   107.96168    52.59392
   33    29 S   CT   _C19    36     1.86116    99.61108  -168.98000
   34    33 S   HC   _H3_    37     1.10148   103.79538   -15.25093
   35    30 S   CO3  _C3_    29     1.52969   114.04080   174.55655
   36    35 S   O2Z  _O31    30     1.26382   116.06382    -0.83087
   37    35 S   O2Z  _O32    31     1.26424   114.42079   179.22848
   38    33 S   CT   _C17    38     1.56838   114.37437    98.28632
   39    38 S   HC   _H39    39     1.08358   109.21312   125.54516
   40    33 S   CT   _C20    62     1.60320   112.36687  -128.60193
   41    40 S   OM   _O20    63     1.33495   106.10828    69.98004
   42    38 S   CT   _C16    40     1.54545   121.46752    -3.49547
   43    42 S   HC   _H38    41     1.09259   114.24433    22.77222
   44    40 S   CT   _C22    64     1.55165   111.72884  -177.39241
   45    44 S   HC   _H45    65     1.09897   111.65736   -51.43643
   46    44 S   HC   _H46    66     1.09930   111.94882  -171.37031
   47    44 S   HC   _H47    67     1.09124   113.12100    68.81636
   48    42 S   CM   _C6_    42     1.49275   100.01047   -95.10650
   49    42 S   CT   _C18    49     1.56284   111.92876   144.66328
   50    49 S   HC   _H40    50     1.09837   109.42497    40.63742
   51    48 S   CO4  _C8_    43     1.47042   109.62861   -23.00286
   52    51 S   O    _O22    44     1.21701   127.21141  -168.60428
   53    48 S   CM   _C9_    46     1.33592   128.37939   152.33410
   54    53 S   HC   _H29    47     1.08488   120.70186     2.28139
   55    53 S   HC   _H30    48     1.08503   121.79164  -177.33435
   56    49 S   CT   _C13    51     1.55325   112.93055   -82.74451
   57    56 S   HC   _H33    52     1.09896   108.67479   -72.26512
   58    56 S   HC   _H34    53     1.09702   109.62226   174.06225
   59    49 S   OS   _O26    71     1.45225   108.33766   160.14274
   60    38 S   OS   _O25    45     1.45945   107.55100  -123.65275
   61    56 S   CM   _C5_    54     1.48116   114.31502    50.22646
   62    59 S   CO4  _C12    72     1.36004   117.52054  -152.43121
   63    62 S   O    _O23    73     1.22243   125.94358     0.66852
   64    61 S   CM   _C4_    55     1.33034   128.30078   -93.60185
   65    64 S   HC   _H28    56     1.08055   124.70937    -4.85837
   66    62 S   CM   _C11    74     1.48957   109.62422  -178.96316
   67    64 S   CT   _C15    57     1.47296   111.06278   169.97308
   68    67 S   HC   _H37    58     1.09711   108.80203   117.09043
   69    66 S   CM   _C10    75     1.34155   117.37007  -178.01485
   70    69 S   HC   _H31    76     1.08558   120.95984  -179.77358
   71    69 S   HC   _H32    77     1.08539   122.49975     0.30519
   72    66 S   CT   _C21    78     1.49745   120.25663     2.48585
   73    72 S   HC   _H42    79     1.09430   110.53632   -63.59707
   74    72 S   HC   _H43    80     1.09497   110.68738    57.03568
   75    72 S   HC   _H44    81     1.09542   111.87719   176.71944
   76    67 S   CT   _C14    59     1.54130   115.65772  -121.00165
   77    76 S   HC   _H35    60     1.10374   104.51282  -173.39244
   78    76 S   HC   _H36    61     1.10111   106.80373   -63.02582
   79    67 S   OS   _O24    68     1.42999   104.01146     3.17484
   80    61 S   CO4  _C7_    69     1.46785   124.85054    80.18104
   81    80 S   O    _O21    70     1.21843   125.59040     7.88720
  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
  19   8   2   1   1  16   7  14   8  16   8   7   3   2   1  10
  14   6   5   2   3   1   1  11   5   4   6   1   8   9   3   9
   5   7   7   5   6   2   1   3   2   1   1   4   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    60    76    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    51    60    49    67    76    77    78    40    41    44    45    46    47  
   38    39    42    60    76    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    51    52    60    53    49    50    56    76    40    41    44    59  
   42    43    48    51    60    49    40  
   41    44    45    46    47    79    42    60    64    67    68    76    77    78  
   44    45    46    47    67    76    77    78  
   43    48    51    52    60    53    54    55    49    50    56    57    58    61    59    62  
   48    51    60    53    49    50    56    59  
   45    46    47    67    76    77    78  
   46    47    76  
   47    76  
   76  
   51    52    60    53    54    55    49    50    56    59  
   50    56    57    58    61    64    80    59    62    63    66    51    53    60  
   56    57    58    61    59    62  
   52    60    53    54    55  
   60    53  
   54    55    60  
   55  
    0  
   57    58    61    64    65    67    79    80    81    59    62  
   58    61    64    80    59  
   61    64    80    59  
   62    63    66    69    72    61  
    0  
   64    65    67    68    76    79    80    81  
   63    66    69    70    71    72    73    74    75  
   66    69    72  
   65    67    68    76    77    78    79    80    81  
   67    68    76    79    80  
   69    70    71    72    73    74    75  
   68    76    77    78    79    80    81  
   76    77    78    79    80  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80  
   78    79  
   79  
   80    81  
   81  
    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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    60   320.000  1.410
   42    43   340.000  1.090
   42    48   317.000  1.510
   42    49   268.000  1.529
   48    51   320.000  1.462
   48    53   549.000  1.340
   51    52   570.000  1.229
   51    60   214.000  1.327
   53    54   340.000  1.080
   53    55   340.000  1.080
   49    50   340.000  1.090
   49    56   268.000  1.529
   49    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   317.000  1.510
   61    64   549.000  1.340
   61    80   320.000  1.462
   64    65   340.000  1.080
   64    67   317.000  1.510
   67    68   340.000  1.090
   67    76   268.000  1.529
   67    79   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   79    80   214.000  1.327
   80    81   570.000  1.229
   59    62   214.000  1.327
   62    63   570.000  1.229
   62    66   320.000  1.462
   66    69   549.000  1.340
   66    72   317.000  1.510
   69    70   340.000  1.080
   69    71   340.000  1.080
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    60    50.00000  109.50000
   33    40    76    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    48    70.00000  112.02700
   38    42    49    58.35000  112.70000
   38    60    51    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    48    51    65.00000  116.34900
   42    48    53    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    56    58.35000  112.70000
   42    49    59    50.00000  109.50000
   48    42    43    35.00000  109.50000
   48    51    52    80.00000  123.72100
   48    51    60    90.00000  111.29400
   48    53    54    35.00000  120.00000
   48    53    55    35.00000  120.00000
   60    38    39    35.00000  109.50000
   60    38    42    50.00000  109.50000
   60    51    52    83.00000  123.40000
   53    48    51    65.00000  118.96000
   55    53    54    35.00000  117.00000
   49    42    43    37.50000  110.70000
   49    42    48    70.00000  112.02700
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    61    70.00000  112.02700
   49    59    62    83.00000  116.90000
   56    49    50    37.50000  110.70000
   56    61    64    70.00000  124.00000
   56    61    80    65.00000  116.34900
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    64    65    35.00000  120.00000
   61    64    67    70.00000  124.00000
   61    80    79    90.00000  111.29400
   61    80    81    80.00000  123.72100
   64    67    68    35.00000  109.50000
   64    67    76    70.00000  112.02700
   64    67    79    85.00000  110.90400
   67    64    65    35.00000  117.00000
   67    76    77    37.50000  110.70000
   67    76    78    37.50000  110.70000
   67    76    40    58.35000  112.70000
   67    79    80    83.00000  116.90000
   76    67    68    37.50000  110.70000
   76    40    41    50.00000  109.50000
   76    40    44    58.35000  112.70000
   78    76    77    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    76    77    37.50000  110.70000
   40    76    78    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   79    67    68    35.00000  109.50000
   79    67    76    50.00000  109.50000
   79    80    81    83.00000  123.40000
   80    61    64    65.00000  118.96000
   59    49    50    35.00000  109.50000
   59    49    56    50.00000  109.50000
   59    62    63    83.00000  123.40000
   59    62    66    90.00000  111.29400
   62    66    69    65.00000  118.96000
   62    66    72    65.00000  116.34900
   66    62    63    80.00000  123.72100
   66    69    70    35.00000  120.00000
   66    69    71    35.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   71    69    70    35.00000  117.00000
   72    66    69    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    60   0.56750  1.0 1.0
   29    33    38    60  -0.07550 -1.0 2.0
   29    33    38    60   0.20000  1.0 3.0
   29    33    40    76   0.44750  1.0 1.0
   29    33    40    76  -0.17800 -1.0 2.0
   29    33    40    76   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    48   0.34400  1.0 1.0
   33    38    42    48   0.09450 -1.0 2.0
   33    38    42    48   0.11100  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    60    51  -0.25900  1.0 1.0
   33    38    60    51  -0.47000 -1.0 2.0
   33    38    60    51   0.11750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    60   0.23400  1.0 3.0
   34    33    40    76   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    76   0.56750  1.0 1.0
   38    33    40    76  -0.07550 -1.0 2.0
   38    33    40    76   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42   -48    51   0.09700  1.0 1.0
   38    42   -48    51   0.15600 -1.0 2.0
   38    42   -48    51  -0.50800  1.0 3.0
   38    42    48    53   0.09850  1.0 1.0
   38    42    48    53   0.15250 -1.0 2.0
   38    42    48    53  -0.50650  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    56   0.56750  1.0 1.0
   38    42    49    56  -0.07550 -1.0 2.0
   38    42    49    56   0.20000  1.0 3.0
   38    42    49    59   0.62750  1.0 1.0
   38    42    49    59  -0.30950 -1.0 2.0
   38    42    49    59   0.27300  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    60    51   0.08050  1.0 3.0
   42    38   -60    51  -0.25900  1.0 1.0
   42    38   -60    51  -0.47000 -1.0 2.0
   42    38   -60    51   0.11750  1.0 3.0
   42    48    51    52  -0.64400  1.0 1.0
   42    48    51    52   0.26850 -1.0 2.0
   42    48   -51    60  -0.15000  1.0 1.0
   42    48   -51    60   0.89550 -1.0 2.0
   42    48   -51    60  -0.06900  1.0 3.0
   42    48    53    54   7.00000 -1.0 2.0
   42    48    53    55   7.00000 -1.0 2.0
   42    49    56    57   0.15000  1.0 3.0
   42    49    56    58   0.15000  1.0 3.0
   42    49    56    61   0.34400  1.0 1.0
   42    49    56    61   0.09450 -1.0 2.0
   42    49    56    61   0.11100  1.0 3.0
   42    49    59    62  -0.25900  1.0 1.0
   42    49    59    62  -0.47000 -1.0 2.0
   42    49    59    62   0.11750  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   43    42    48    53   0.00000  1.0 1.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    56   0.15000  1.0 3.0
   43    42    49    59   0.23400  1.0 3.0
   48    42    49    50   0.15000  1.0 3.0
   48    42    49    56   0.34400  1.0 1.0
   48    42    49    56   0.09450 -1.0 2.0
   48    42    49    56   0.11100  1.0 3.0
   48    42    49    59   0.61850  1.0 1.0
   48    42    49    59  -0.22750 -1.0 2.0
   48    42    49    59   0.15300  1.0 3.0
   48    51   -60    38   2.00000 -1.0 2.0
   51    48    53    54   7.00000 -1.0 2.0
   51    48    53    55   7.00000 -1.0 2.0
   52    51    60    38   3.00000 -1.0 2.0
   60    38    42    43   0.23400  1.0 3.0
   60    38   -42    48   0.61850  1.0 1.0
   60    38   -42    48  -0.22750 -1.0 2.0
   60    38   -42    48   0.15300  1.0 3.0
   60    38    42    49   0.62750  1.0 1.0
   60    38    42    49  -0.30950 -1.0 2.0
   60    38    42    49   0.27300  1.0 3.0
   53    48    51    52   1.00000 -1.0 2.0
   53    48    51    60  -0.56150  1.0 1.0
   53    48    51    60   2.19150 -1.0 2.0
   49    42    48    51   0.09700  1.0 1.0
   49    42    48    51   0.15600 -1.0 2.0
   49    42    48    51  -0.50800  1.0 3.0
   49    42    48    53   0.09850  1.0 1.0
   49    42    48    53   0.15250 -1.0 2.0
   49    42    48    53  -0.50650  1.0 3.0
   49    56    61    64   0.09850  1.0 1.0
   49    56    61    64   0.15250 -1.0 2.0
   49    56    61    64  -0.50650  1.0 3.0
   49    56    61    80   0.09700  1.0 1.0
   49    56    61    80   0.15600 -1.0 2.0
   49    56    61    80  -0.50800  1.0 3.0
   49    59    62    63   3.00000 -1.0 2.0
   49    59    62    66   2.00000 -1.0 2.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    61   0.15000  1.0 3.0
   50    49    59    62   0.08050  1.0 3.0
   56    49    59    62  -0.25900  1.0 1.0
   56    49    59    62  -0.47000 -1.0 2.0
   56    49    59    62   0.11750  1.0 3.0
   56    61    64    65   7.00000 -1.0 2.0
   56    61    64    67   7.00000 -1.0 2.0
   56    61    80    79  -0.15000  1.0 1.0
   56    61    80    79   0.89550 -1.0 2.0
   56    61    80    79  -0.06900  1.0 3.0
   56    61    80    81  -0.64400  1.0 1.0
   56    61    80    81   0.26850 -1.0 2.0
   57    56    61    64   0.00000  1.0 1.0
   57    56    61    80   0.15000  1.0 3.0
   58    56    61    64   0.00000  1.0 1.0
   58    56    61    80   0.15000  1.0 3.0
   61    64    67    68   0.00000  1.0 1.0
   61    64    67    76   0.09850  1.0 1.0
   61    64    67    76   0.15250 -1.0 2.0
   61    64    67    76  -0.50650  1.0 3.0
   61    64   -67    79   0.39000  1.0 1.0
   61    64   -67    79  -0.05800 -1.0 2.0
   61    64   -67    79  -0.55150  1.0 3.0
   64    61   -80    79  -0.56150  1.0 1.0
   64    61   -80    79   2.19150 -1.0 2.0
   64    61    80    81   1.00000 -1.0 2.0
   64    67    76    77   0.15000  1.0 3.0
   64    67    76    78   0.15000  1.0 3.0
   64    67    76    40   0.34400  1.0 1.0
   64    67    76    40   0.09450 -1.0 2.0
   64    67    76    40   0.11100  1.0 3.0
   64    67   -79    80  -0.82050  1.0 1.0
   64    67   -79    80   0.00600 -1.0 2.0
   64    67   -79    80   0.04400  1.0 3.0
   65    64    67    68   0.33100  1.0 3.0
   65    64    67    76   0.00000  1.0 1.0
   65    64    67    79   0.00000  1.0 1.0
   67    76    40    33   0.56750  1.0 1.0
   67    76    40    33  -0.07550 -1.0 2.0
   67    76    40    33   0.20000  1.0 3.0
   67    76    40    41   0.62750  1.0 1.0
   67    76    40    41  -0.30950 -1.0 2.0
   67    76    40    41   0.27300  1.0 3.0
   67    76    40    44   0.56750  1.0 1.0
   67    76    40    44  -0.07550 -1.0 2.0
   67    76    40    44   0.20000  1.0 3.0
   67    79   -80    61   2.00000 -1.0 2.0
   67    79    80    81   3.00000 -1.0 2.0
   68    67    76    77   0.15000  1.0 3.0
   68    67    76    78   0.15000  1.0 3.0
   68    67    76    40   0.15000  1.0 3.0
   68    67    79    80   0.08050  1.0 3.0
   76    67    79    80  -0.25900  1.0 1.0
   76    67    79    80  -0.47000 -1.0 2.0
   76    67    79    80   0.11750  1.0 3.0
   76    40    44    45   0.15000  1.0 3.0
   76    40    44    46   0.15000  1.0 3.0
   76    40    44    47   0.15000  1.0 3.0
   77    76    40    33   0.15000  1.0 3.0
   77    76    40    41   0.23400  1.0 3.0
   77    76    40    44   0.15000  1.0 3.0
   78    76    40    33   0.15000  1.0 3.0
   78    76    40    41   0.23400  1.0 3.0
   78    76    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    60   0.62750  1.0 1.0
   40    33    38    60  -0.30950 -1.0 2.0
   40    33    38    60   0.27300  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   79    67    76    77   0.23400  1.0 3.0
   79    67    76    78   0.23400  1.0 3.0
   79    67    76    40   0.62750  1.0 1.0
   79    67    76    40  -0.30950 -1.0 2.0
   79    67    76    40   0.27300  1.0 3.0
   80    61    64    65   7.00000 -1.0 2.0
   80    61   -64    67   7.00000 -1.0 2.0
   59    49    56    57   0.23400  1.0 3.0
   59    49    56    58   0.23400  1.0 3.0
   59    49    56    61   0.61850  1.0 1.0
   59    49    56    61  -0.22750 -1.0 2.0
   59    49    56    61   0.15300  1.0 3.0
   59    62    66    69  -0.56150  1.0 1.0
   59    62    66    69   2.19150 -1.0 2.0
   59    62    66    72  -0.15000  1.0 1.0
   59    62    66    72   0.89550 -1.0 2.0
   59    62    66    72  -0.06900  1.0 3.0
   62    66    69    70   7.00000 -1.0 2.0
   62    66    69    71   7.00000 -1.0 2.0
   62    66    72    73   0.15000  1.0 3.0
   62    66    72    74   0.15000  1.0 3.0
   62    66    72    75   0.15000  1.0 3.0
   63    62    66    69   1.00000 -1.0 2.0
   63    62    66    72  -0.64400  1.0 1.0
   63    62    66    72   0.26850 -1.0 2.0
   69    66    72    73   0.00000  1.0 1.0
   69    66    72    74   0.00000  1.0 1.0
   69    66    72    75   0.00000  1.0 1.0
   72    66    69    70   7.00000 -1.0 2.0
   72    66    69    71   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    51    48    53   1.10000 -1.0 2.0
   48    60    51    52  10.50000 -1.0 2.0
   54    55    53    48   1.10000 -1.0 2.0
   56    80    61    64   1.10000 -1.0 2.0
   67    65    64    61   1.10000 -1.0 2.0
   61    79    80    81  10.50000 -1.0 2.0
   59    66    62    63  10.50000 -1.0 2.0
   62    72    66    69  15.00000 -1.0 2.0
   70    71    69    66  15.00000 -1.0 2.0
END
