* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    148    220     433
    1     0 S   NP   _N1_     1    29.20522    95.76832   -27.06099
    2     1 S   H    _HN1     2     1.02837    16.24421   167.41155
    3     1 S   H    _H1_     3     1.02779   118.72133  -141.56394
    4     1 S   H    _H2_     4     1.02971    91.53298   -29.66471
    5     1 S   CT   _CA1     5     1.50128   113.38799    83.40192
    6     5 S   HC   _HA1     6     1.09570   105.26230    76.62596
    7     5 S   CO3  _C1_     7     1.53811   112.40611   -43.62433
    8     7 S   O2Z  _O11     8     1.26360   115.04165   -43.00682
    9     7 S   O2Z  _O12     9     1.26226   114.94514   136.21229
   10     5 S   CT   _CB1    10     1.53075   107.37220  -165.42658
   11    10 S   HC   HB11    11     1.09825   109.46134   -50.93906
   12    10 S   HC   HB12    12     1.09680   110.13119    65.43138
   13    10 S   CT   _CG1    13     1.52993   112.76429  -172.06259
   14    13 S   HC   HG11    14     1.09576   110.65041   -63.25098
   15    13 S   HC   HG12    15     1.09660   109.75368    55.86656
   16    13 S   C    _CD1    16     1.51833   112.43695   176.46687
   17    16 S   O    _OE1    17     1.22750   123.40452     4.73913
   18    16 S   N    _N2_    18     1.38587   111.69033  -175.26534
   19    18 S   H    _HN2    19     1.01557   119.09379     3.77419
   20    18 S   CT1  _CA2    20     1.45734   122.64158   178.30384
   21    20 S   HC   _HA2    21     1.09558   108.47093    31.12547
   22    20 S   C    _C2_    22     1.52792   106.83178   -86.07325
   23    22 S   O    _O2_    23     1.22982   122.82445   -36.88149
   24    20 S   CT   _CB2    32     1.53145   112.16017   155.07640
   25    24 S   HC   HB21    33     1.09670   109.85160    50.70734
   26    24 S   HC   HB22    34     1.09452   111.36377   167.95859
   27    22 S   N    _N3_    24     1.38476   112.63592   145.64535
   28    27 S   H    _HN3    25     1.01630   120.41565    -2.62450
   29    24 S   S    _SG2    35     1.82787   112.92457   -68.32286
   30    27 S   CT   _CA3    26     1.45355   122.41691   178.88408
   31    30 S   HC   HA31    27     1.09567   107.36995   -64.02294
   32    30 S   HC   HA32    28     1.09559   108.05718    52.30946
   33    29 S   CT   _C12    36     1.84343   100.21103   -78.31519
   34    33 S   HC   _H3_    37     1.09326   105.89095    47.11729
   35    30 S   CO3  _C3_    29     1.52868   114.29356   174.09051
   36    35 S   O2Z  _O31    30     1.26336   116.02056   -10.52517
   37    35 S   O2Z  _O32    31     1.26418   114.46947   169.50223
   38    33 S   CA   _C7_    38     1.52317   112.10433   -71.10315
   39    33 S   CM   _C13    58     1.51474   108.35852   164.50687
   40    39 S   HC   _H18    59     1.09155   115.60565    64.38886
   41    38 S   CA   _C6_    39     1.40749   119.33524   117.63627
   42    41 S   HA   _H12    40     1.08670   118.34247     0.45197
   43    39 S   CMA  _C14    60     1.35582   127.03313  -115.89831
   44    43 S   OM   _O36    61     1.26779   123.91929  -178.21118
   45    41 S   CA   _C5_    41     1.39792   120.94015  -179.63577
   46    43 S   OS1  _O37    62     1.41417   111.92705     0.11364
   47    45 S   CA   _C10    42     1.39903   118.74279    -0.98774
   48    45 S   OS   _O33    53     1.37074   125.08185   179.71061
   49    46 S   CO1  _C15    63     1.44012   114.73735   136.56003
   50    49 S   HC   _H4_    64     1.09870   109.21230    58.42391
   51    47 S   CA   _C9_    43     1.40027   121.61616     0.85843
   52    47 S   OH   _O34    51     1.37375   118.65465  -179.47029
   53    52 S   HO   _H14    52     0.97361   107.31941   179.89721
   54    48 S   CT   _C4_    54     1.42279   116.78664   -12.07003
   55    54 S   HC   _H9_    55     1.09422   107.79161  -173.59706
   56    54 S   HC   _H10    56     1.09466   111.03156    68.67869
   57    54 S   HC   _H11    57     1.09470   111.03642   -55.84525
   58    49 S   CT   _C16    65     1.53486   106.81731   176.71699
   59    58 S   HC   _H5_    66     1.09694   109.96904    53.85445
   60    38 S   CA   _C8_    44     1.40791   121.69619   -62.44734
   61    60 S   HA   _H13    45     1.08610   118.48091     0.23821
   62    51 S   OS   _O35    46     1.37102   115.57943   179.67857
   63    58 S   CT   _C17    67     1.53087   111.13599   175.83778
   64    63 S   HC   _H6_    68     1.09665   110.22603    74.22026
   65    58 S   OH5  _O42    83     1.42986   110.21982   -63.03199
   66    65 S   HO   _H24    84     0.97234   108.10133   -55.49318
   67    62 S   CT   _C11    47     1.42280   116.96448   179.22848
   68    67 S   HC   _H15    48     1.09428   107.73138  -179.45751
   69    67 S   HC   _H16    49     1.09498   111.11432    62.83299
   70    67 S   HC   _H17    50     1.09501   111.15827   -61.71833
   71    63 S   CT   _C18    69     1.53117   111.61736   -48.64978
   72    71 S   HC   _H7_    70     1.09476   108.85371   -72.80789
   73    63 S   OH5  _O41    81     1.43044   109.56362  -169.93116
   74    73 S   HO   _H23    82     0.97295   107.91867    59.17756
   75    71 S   CT   _C19    71     1.53220   111.04751    48.54943
   76    75 S   HC   _H8_    72     1.09827   110.92425    65.14391
   77    71 S   OH5  _O40    79     1.42679   109.62888   170.76409
   78    77 S   HO   _H22    80     0.97258   108.05502   -60.11980
   79    49 S   OS1  _O38    73     1.43167   111.56234   -64.00084
   80    75 S   CT   _C20    74     1.52967   111.42526  -174.10671
   81    80 S   HC   _H19    75     1.09405   110.92950    71.41818
   82    80 S   HC   _H20    76     1.09371   111.51783   -51.08446
   83    80 S   OH5  _O39    77     1.42458   109.30429  -170.02823
   84    83 S   HO   _H21    78     0.97266   106.79819  -177.60281
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  12   7   3   9   4   6   2  11   8   9   6
  13   6   9   3   1   3   2   1   1  12   7   3   1   4  13   7
   4   1   3   2   1   1  12   7   3   1   9   6   3   1   4   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    60    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    60    61    39    40    43    44    46  
   38    41    60    39    40    43  
   36    37  
   37  
    0  
   41    42    45    47    51    60    61    62    48    39    40    43  
   40    43    44    46    49    41    60  
   43    44    46  
   42    45    47    51    60    61    52    48    54  
   45    47    60    48  
   44    46    49    50    58    79  
   46    49  
   47    51    60    62    52    53    48    54    55    56    57  
   49    50    58    59    63    75    79    65  
   51    60    61    62    67    52    53    48    54  
   54    55    56    57    51    52  
   50    58    59    63    64    71    75    76    79    80    73    65    66  
   58    59    63    75    79    65  
   60    61    62    67    68    69    70    52    53  
   53    60    62  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    63    64    71    72    75    79    77    73    74    65    66  
   63    64    71    79    73    65    66  
   61    62    67  
   62  
   67    68    69    70  
   64    71    72    75    76    79    80    77    78    73    74    65    66  
   71    72    75    77    73    74    65  
   66    71    73    79  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    75    76    79    80    81    82    83    77    78    73    74  
   75    76    79    80    77    78    73  
   74    75    77  
    0  
   76    79    80    81    82    83    84    77    78  
   79    80    81    82    83    77  
   78    79    80  
    0  
   80    81    82    83  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   2.9000   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    60   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    47   469.000  1.400
   45    48   450.000  1.364
   47    51   469.000  1.400
   47    52   450.000  1.364
   51    60   469.000  1.400
   51    62   450.000  1.364
   60    61   367.000  1.080
   62    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   52    53   553.000  0.945
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    46   440.000  1.360
   46    49   370.000  1.399
   49    50   360.000  1.097
   49    58   255.000  1.525
   49    79   370.000  1.399
   58    59   340.000  1.090
   58    63   268.000  1.529
   58    65   355.000  1.421
   63    64   340.000  1.090
   63    71   268.000  1.529
   63    73   355.000  1.421
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    77   355.000  1.421
   75    76   340.000  1.090
   75    79   335.000  1.422
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   355.000  1.421
   83    84   580.000  0.967
   77    78   580.000  0.967
   73    74   580.000  0.967
   65    66   580.000  0.967
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    60    51    63.00000  120.00000
   38    60    61    35.00000  120.00000
   41    45    47    63.00000  120.00000
   41    45    48    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    47    51    63.00000  120.00000
   45    47    52    70.00000  120.00000
   45    48    54    75.00000  111.00000
   47    51    60    63.00000  120.00000
   47    51    62    70.00000  120.00000
   47    52    53    35.00000  113.00000
   51    60    61    35.00000  120.00000
   51    62    67    75.00000  111.00000
   60    38    41    63.00000  120.00000
   62    51    60    70.00000  120.00000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   52    47    51    70.00000  120.00000
   48    45    47    70.00000  120.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    46    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    46    49    90.00000  111.18400
   46    43    44    65.00000  121.00000
   46    49    50    60.00000  105.75400
   46    49    58    90.00000  109.70700
   46    49    79   110.00000  113.16000
   49    58    59    45.00000  109.54000
   49    58    63    70.00000  111.10000
   49    58    65    90.00000  109.42000
   49    79    75    90.00000  112.10700
   58    49    50    45.00000  111.65000
   58    63    64    37.50000  110.70000
   58    63    71    58.35000  112.70000
   58    63    73    90.00000  111.45300
   58    65    66    65.00000  108.53500
   63    58    59    37.50000  110.70000
   63    71    72    37.50000  110.70000
   63    71    75    58.35000  112.70000
   63    71    77    90.00000  111.45300
   63    73    74    65.00000  108.53500
   71    63    64    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    79    95.00000  107.88500
   71    75    80    58.35000  112.70000
   71    77    78    65.00000  108.53500
   75    71    72    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    90.00000  111.45300
   79    49    50    60.00000  105.75400
   79    49    58    90.00000  109.70700
   79    75    76    55.00000  108.98800
   80    75    76    37.50000  110.70000
   80    75    79    95.00000  107.88500
   80    83    84    65.00000  108.53500
   82    80    81    33.00000  107.80000
   83    80    81    60.00000  109.39000
   83    80    82    60.00000  109.39000
   77    71    72    60.00000  109.39000
   77    71    75    90.00000  111.45300
   73    63    64    60.00000  109.39000
   73    63    71    90.00000  111.45300
   65    58    59    60.00000  109.39000
   65    58    63    90.00000  111.45300
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    60    51   3.62500 -1.0 2.0
   33    38    60    61   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    46   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    47   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    60    51   3.62500 -1.0 2.0
   41    38    60    61   3.62500 -1.0 2.0
   41    45   -47    51   3.62500 -1.0 2.0
   41    45    47    52   3.62500 -1.0 2.0
   41    45    48    54   1.63200 -1.0 2.0
   42    41    45    47   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    47    51    60   3.62500 -1.0 2.0
   45    47    51    62   3.62500 -1.0 2.0
   45    47    52    53   0.84100 -1.0 2.0
   45    48    54    55   0.08050  1.0 3.0
   45    48    54    56   0.08050  1.0 3.0
   45    48    54    57   0.08050  1.0 3.0
   47    45    48    54   1.63200 -1.0 2.0
   47    51   -60    38   3.62500 -1.0 2.0
   47    51    60    61   3.62500 -1.0 2.0
   47    51    62    67   1.63200 -1.0 2.0
   51    47    52    53   0.84100 -1.0 2.0
   51    62    67    68   0.08050  1.0 3.0
   51    62    67    69   0.08050  1.0 3.0
   51    62    67    70   0.08050  1.0 3.0
   60    38    41    42   3.62500 -1.0 2.0
   60    38   -41    45   3.62500 -1.0 2.0
   60    51    62    67   1.63200 -1.0 2.0
   62    51    60    38   3.62500 -1.0 2.0
   62    51    60    61   3.62500 -1.0 2.0
   52    47    51    60   3.62500 -1.0 2.0
   52    47    51    62   3.62500 -1.0 2.0
   48    45    47    51   3.62500 -1.0 2.0
   48    45    47    52   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    60   0.18050 -1.0 2.0
   39    43    46    49  -2.26850  1.0 1.0
   39    43    46    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    46   7.00000 -1.0 2.0
   43    46    49    50   0.08050  1.0 3.0
   43    46    49    58  -0.46850  1.0 1.0
   43    46    49    58   0.09300 -1.0 2.0
   43    46    49    58  -0.12850  1.0 3.0
   43    46    49    79  -0.48150  1.0 1.0
   43    46    49    79   0.09250 -1.0 2.0
   43    46    49    79  -0.12850  1.0 3.0
   44    43    46    49   2.00000 -1.0 2.0
   46    49    58    59   0.23400  1.0 3.0
   46    49    58    63   0.62750  1.0 1.0
   46    49    58    63  -0.30950 -1.0 2.0
   46    49    58    63   0.27300  1.0 3.0
   46    49    58    65   1.51850  1.0 1.0
   46    49    79    75  -0.70400  1.0 1.0
   46    49    79    75  -0.90350 -1.0 2.0
   49    58    63    64   0.15000  1.0 3.0
   49    58    63    71   0.56750  1.0 1.0
   49    58    63    71  -0.07550 -1.0 2.0
   49    58    63    71   0.20000  1.0 3.0
   49    58    63    73  -0.47750  1.0 1.0
   49    58    65    66   0.29150  1.0 1.0
   49    58    65    66  -0.28350 -1.0 2.0
   49    58    65    66   0.43600  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    63   0.15000  1.0 3.0
   50    49    58    65   0.23400  1.0 3.0
   50    49    79    75   0.37050  1.0 3.0
   58    49    79    75   0.06250  1.0 1.0
   58    49    79    75  -0.01100 -1.0 2.0
   58    49    79    75   0.28050  1.0 3.0
   58    63    71    72   0.15000  1.0 3.0
   58    63   -71    75   0.56750  1.0 1.0
   58    63   -71    75  -0.07550 -1.0 2.0
   58    63   -71    75   0.20000  1.0 3.0
   58    63    71    77  -0.47750  1.0 1.0
   58    63    73    74   0.29150  1.0 1.0
   58    63    73    74  -0.28350 -1.0 2.0
   58    63    73    74   0.43600  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    71   0.15000  1.0 3.0
   59    58    63    73   0.23400  1.0 3.0
   59    58    65    66   0.19450  1.0 3.0
   63    58    65    66   0.29150  1.0 1.0
   63    58    65    66  -0.28350 -1.0 2.0
   63    58    65    66   0.43600  1.0 3.0
   63    71    75    76   0.15000  1.0 3.0
   63    71    75    79   0.62750  1.0 1.0
   63    71    75    79  -0.30950 -1.0 2.0
   63    71    75    79   0.27300  1.0 3.0
   63    71    75    80   0.56750  1.0 1.0
   63    71    75    80  -0.07550 -1.0 2.0
   63    71    75    80   0.20000  1.0 3.0
   63    71    77    78   0.29150  1.0 1.0
   63    71    77    78  -0.28350 -1.0 2.0
   63    71    77    78   0.43600  1.0 3.0
   64    63    71    72   0.15000  1.0 3.0
   64    63    71    75   0.15000  1.0 3.0
   64    63    71    77   0.23400  1.0 3.0
   64    63    73    74   0.19450  1.0 3.0
   71    63    73    74   0.29150  1.0 1.0
   71    63    73    74  -0.28350 -1.0 2.0
   71    63    73    74   0.43600  1.0 3.0
   71    75   -79    49   0.06250  1.0 1.0
   71    75   -79    49  -0.01100 -1.0 2.0
   71    75   -79    49   0.28050  1.0 3.0
   71    75    80    81   0.15000  1.0 3.0
   71    75    80    82   0.15000  1.0 3.0
   71    75    80    83  -0.47750  1.0 1.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    79   0.23400  1.0 3.0
   72    71    75    80   0.15000  1.0 3.0
   72    71    77    78   0.19450  1.0 3.0
   75    71    77    78   0.29150  1.0 1.0
   75    71    77    78  -0.28350 -1.0 2.0
   75    71    77    78   0.43600  1.0 3.0
   75    80    83    84   0.29150  1.0 1.0
   75    80    83    84  -0.28350 -1.0 2.0
   75    80    83    84   0.43600  1.0 3.0
   76    75    79    49   0.37050  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.23400  1.0 3.0
   79    49    58    59   0.23400  1.0 3.0
   79    49   -58    63   0.62750  1.0 1.0
   79    49   -58    63  -0.30950 -1.0 2.0
   79    49   -58    63   0.27300  1.0 3.0
   79    49    58    65   1.51850  1.0 1.0
   79    75    80    81   0.23400  1.0 3.0
   79    75    80    82   0.23400  1.0 3.0
   79    75    80    83   1.51850  1.0 1.0
   80    75    79    49   0.06250  1.0 1.0
   80    75    79    49  -0.01100 -1.0 2.0
   80    75    79    49   0.28050  1.0 3.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
   77    71    75    76   0.23400  1.0 3.0
   77    71    75    79   1.51850  1.0 1.0
   77    71    75    80  -0.47750  1.0 1.0
   73    63    71    72   0.23400  1.0 3.0
   73    63    71    75  -0.47750  1.0 1.0
   73    63    71    77   3.77950  1.0 1.0
   65    58    63    64   0.23400  1.0 3.0
   65    58    63    71  -0.47750  1.0 1.0
   65    58    63    73   3.77950  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
   41    60    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    48    45    41   4.00000 -1.0 2.0
   51    52    47    45   4.00000 -1.0 2.0
   60    62    51    47   4.00000 -1.0 2.0
   51    61    60    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    46    43    39  15.00000 -1.0 2.0
END
