* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    152    225     433
    1     0 S   NP   _N1_     1    28.73926    96.65209   -21.23910
    2     1 S   H    _HN1     2     1.02782    88.83565   -85.12213
    3     1 S   H    _H1_     3     1.02953    75.46416    24.18442
    4     1 S   H    _H2_     4     1.02830    44.90471   157.78109
    5     1 S   CT   _CA1     5     1.50103   153.57346   130.89969
    6     5 S   HC   _HA1     6     1.09570   105.23223    79.11487
    7     5 S   CO3  _C1_     7     1.53819   112.46179   -41.17756
    8     7 S   O2Z  _O11     8     1.26369   115.00817   -42.40844
    9     7 S   O2Z  _O12     9     1.26241   114.96478   136.83679
   10     5 S   CT   _CB1    10     1.53100   107.44319  -162.85436
   11    10 S   HC   HB11    11     1.09825   109.46451   -49.69704
   12    10 S   HC   HB12    12     1.09816   110.39847    66.94276
   13    10 S   CT   _CG1    13     1.52961   112.55505  -170.70439
   14    13 S   HC   HG11    14     1.09571   110.51042   -63.32281
   15    13 S   HC   HG12    15     1.09663   109.89102    55.84876
   16    13 S   C    _CD1    16     1.51787   112.38562   176.32113
   17    16 S   O    _OE1    17     1.22710   123.35128     1.42875
   18    16 S   N    _N2_    18     1.38606   111.52573  -178.62570
   19    18 S   H    _HN2    19     1.01589   118.95669     1.87618
   20    18 S   CT1  _CA2    20     1.46195   123.53124   179.04387
   21    20 S   HC   _HA2    21     1.09731   109.44410    -2.24402
   22    20 S   C    _C2_    22     1.53490   108.55735  -117.76840
   23    22 S   O    _O2_    23     1.23048   122.33124  -148.68637
   24    20 S   CT   _CB2    32     1.53371   111.23670   119.89466
   25    24 S   HC   HB21    33     1.09413   109.44642    55.78600
   26    24 S   HC   HB22    34     1.09480   110.08996   174.17961
   27    22 S   N    _N3_    24     1.38352   113.62130    38.85694
   28    27 S   H    _HN3    25     1.01610   119.53426    -3.55985
   29    24 S   S    _SG2    35     1.83031   111.14962   -67.18961
   30    27 S   CT   _CA3    26     1.45283   123.15496   177.00742
   31    30 S   HC   HA31    27     1.09551   107.52201   -64.04874
   32    30 S   HC   HA32    28     1.09558   107.95671    52.36685
   33    29 S   CT   _C19    36     1.89838   101.91079   144.02565
   34    30 S   CO3  _C3_    29     1.52941   114.12568   174.35507
   35    34 S   O2Z  _O31    30     1.26370   116.07383    -0.70081
   36    34 S   O2Z  _O32    31     1.26433   114.40777   179.35441
   37    33 S   CT   _C18    37     1.54374   106.54606  -167.56264
   38    37 S   HC   _H13    38     1.09671   110.84763   171.25156
   39    37 S   HC   _H14    39     1.09762   110.74016    53.73094
   40    33 S   OS   _O36    80     1.44100   109.44162   -46.42135
   41    37 S   CO4  _C17    40     1.51520   113.52788   -67.10072
   42    41 S   O    _O35    41     1.23091   120.38478   156.84541
   43    40 S   CT   _C20    81     1.41987   117.64605   -74.00955
   44    43 S   HC   _H15    82     1.09368   107.88809   169.32654
   45    43 S   HC   _H16    83     1.09246   112.10909    50.34681
   46    43 S   HC   _H17    84     1.09347   110.47946   -73.19633
   47    41 S   CM   _C16    42     1.49357   119.04441   -25.00572
   48    47 S   CM   _C15    43     1.34522   118.97377    -3.52031
   49    48 S   HC   _H12    44     1.08678   117.00788  -177.05350
   50    47 S   CT   _C21    72     1.50566   118.19321   176.84390
   51    50 S   HC   _H18    73     1.09768   110.12577  -158.35831
   52    50 S   HC   _H19    74     1.09726   109.68138   -42.83041
   53    33 S   CT   _C14    45     1.59974   112.20682    74.11198
   54    50 S   CM   _C22    75     1.50193   112.12784    81.42968
   55    54 S   HC   _H20    76     1.08745   117.40623    63.38131
   56    53 S   CM   _C5_    46     1.56885   111.47735  -173.88932
   57    53 S   OS   _O37    67     1.44676   106.56338   -55.68062
   58    54 S   CM   _C23    77     1.33809   124.02800  -117.47689
   59    58 S   HC   _H21    78     1.08464   120.53141  -179.63309
   60    58 S   HC   _H22    79     1.08467   121.52248     0.69210
   61    56 S   CM   _C6_    47     1.35344   123.27439  -112.69508
   62    61 S   HC   _H6_    48     1.08552   121.64617    -0.57471
   63    56 S   CT   _C4_    63     1.51804   116.43442    69.37423
   64    63 S   HC   _H3_    64     1.09433   110.47417   -92.91729
   65    63 S   HC   _H4_    65     1.09501   112.08952   146.37741
   66    63 S   HC   _H5_    66     1.09387   112.00218    27.90225
   67    57 S   CT   _C24    68     1.42144   118.32539   175.59136
   68    67 S   HC   _H23    69     1.09392   107.67473   164.36699
   69    67 S   HC   _H24    70     1.09276   112.58897    45.31318
   70    67 S   HC   _H25    71     1.09294   110.58980   -78.65325
   71    61 S   CA   _C7_    49     1.46925   125.89227   178.85945
   72    71 S   CA   _C8_    50     1.41149   119.20707   113.97292
   73    72 S   HA   _H7_    51     1.08804   120.24847    -0.88382
   74    72 S   CA   _C9_    52     1.39802   120.77320   179.36204
   75    74 S   HA   _H8_    53     1.08410   120.87736   179.75451
   76    74 S   CA   _C10    54     1.37883   117.73451    -0.31153
   77    76 S   CA   _C11    55     1.37534   121.76052    -0.11869
   78    71 S   CA   _C12    56     1.40289   120.73487   -67.43383
   79    78 S   HA   _H9_    57     1.08521   121.56392     0.59807
   80    77 S   OS   _O33    58     1.36095   112.33976  -179.79537
   81    80 S   CO   _C13    59     1.44228   100.97690    -0.10087
   82    81 S   HC   _H10    60     1.09609   108.67121  -120.81025
   83    81 S   HC   _H11    61     1.09608   108.66673   121.03664
   84    76 S   OS   _O34    62     1.36070   125.88268  -179.95154
  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  11   5   4   3
  19   2   1   1  12   6   5   9   9   3   4   2   1   1  11  11
   4   8   4   3  13   4   3  11   6   2   1   1  12   4   4   2
   1   1   3   2   1   1   9   8   4   7   3   8   7   4   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    48    53    56    57    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    48    49    53    56    61    63    57    67    40    43    44    45    46  
   35    36  
   36  
    0  
   38    39    41    42    47    48    53    56    57    50    40    43  
   39    41    42    47    53    40  
   41    42    47    53    40  
   43    44    45    46    41    48    53    56    57  
   42    47    48    49    53    50    51    52    54  
   47    48    50  
   44    45    46    53  
   45    46  
   46  
    0  
   48    49    53    56    57    50    51    52    54    55    58  
   49    53    56    61    63    57    67    50    51    52    54  
   53    56    57    50  
   51    52    54    55    58    59    60    53  
   52    54    55    58  
   54    55    58  
   56    61    62    71    63    64    65    66    57    67    68    69    70  
   55    58    59    60  
   58    59    60  
   61    62    71    72    78    63    64    65    66    57    67  
   67    68    69    70    61    63  
   59    60  
   60  
    0  
   62    71    72    73    74    77    78    79    63    64    65    66  
   71    72    78    63  
   64    65    66    71  
   65    66  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77    78    79    84  
   74    75    76    78  
   75    76    77    78    80    81    84  
   76    77    84  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81    84  
   80  
   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  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.338000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    53   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    47   320.000  1.462
   47    48   549.000  1.340
   47    50   317.000  1.510
   48    49   340.000  1.080
   48    53   317.000  1.510
   53    56   317.000  1.510
   53    57   320.000  1.410
   56    61   549.000  1.340
   56    63   317.000  1.510
   61    62   340.000  1.080
   61    71   320.000  1.460
   71    72   469.000  1.400
   71    78   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    84   450.000  1.364
   77    78   469.000  1.400
   77    80   450.000  1.364
   78    79   367.000  1.080
   80    81   320.000  1.380
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.380
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   57    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   317.000  1.510
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    60   340.000  1.080
   40    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    53    48    70.00000  112.02700
   33    53    56    70.00000  112.02700
   33    53    57    50.00000  109.50000
   33    40    43    60.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    47    65.00000  118.62400
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    47    48    65.00000  118.96000
   41    47    50    65.00000  116.34900
   47    41    42    80.00000  123.72100
   47    48    49    35.00000  120.00000
   47    48    53    70.00000  124.00000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    54    70.00000  110.12100
   48    53    56    70.00000  110.12100
   48    53    57    85.00000  110.90400
   53    33    37    58.35000  112.70000
   53    48    49    35.00000  117.00000
   53    56    61    70.00000  124.00000
   53    56    63    65.00000  117.92700
   53    57    67    60.00000  109.50000
   56    61    62    35.00000  120.00000
   56    61    71    60.00000  123.20500
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    66    35.00000  109.50000
   61    71    72    60.00000  120.93500
   61    71    78    60.00000  120.93500
   71    61    62    40.00000  117.26300
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    78    77    63.00000  120.00000
   71    78    79    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    84    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    63.00000  120.00000
   76    77    80    70.00000  120.00000
   76    84    81   100.00000  112.36700
   77    78    79    35.00000  120.00000
   77    80    81   100.00000  112.36700
   78    71    72    63.00000  120.00000
   80    77    78    70.00000  120.00000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    92.60000  111.55000
   83    81    82    33.00000  109.50000
   84    76    77    70.00000  120.00000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   63    56    61    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   57    53    56    85.00000  110.90400
   57    67    68    35.00000  109.50000
   57    67    69    35.00000  109.50000
   57    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
   50    47    48    70.00000  124.00000
   50    54    55    35.00000  117.00000
   50    54    58    70.00000  124.00000
   52    50    51    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    52    35.00000  109.50000
   54    58    59    35.00000  120.00000
   54    58    60    35.00000  120.00000
   58    54    55    35.00000  120.00000
   60    58    59    35.00000  117.00000
   40    33    37    50.00000  109.50000
   40    33    53    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    53    48   0.56750  1.0 1.0
   29    33    53    48  -0.07550 -1.0 2.0
   29    33    53    48   0.20000  1.0 3.0
   29    33    53    56   0.56750  1.0 1.0
   29    33    53    56  -0.07550 -1.0 2.0
   29    33    53    56   0.20000  1.0 3.0
   29    33    53    57   0.56750  1.0 1.0
   29    33    53    57  -0.07550 -1.0 2.0
   29    33    53    57   0.20000  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    47   0.65300  1.0 1.0
   33    37    41    47  -0.03850 -1.0 2.0
   33    37    41    47   0.33900  1.0 3.0
   33    53    56    61   0.09850  1.0 1.0
   33    53    56    61   0.15250 -1.0 2.0
   33    53    56    61  -0.50650  1.0 3.0
   33    53    56    63   0.46850  1.0 1.0
   33    53    56    63   0.08550 -1.0 2.0
   33    53    56    63   0.09800  1.0 3.0
   33    53    57    67   0.06250  1.0 1.0
   33    53    57    67  -0.01100 -1.0 2.0
   33    53    57    67   0.28050  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    45   0.37050  1.0 3.0
   33    40    43    46   0.37050  1.0 3.0
   37    33    53    48   0.34400  1.0 1.0
   37    33    53    48   0.09450 -1.0 2.0
   37    33    53    48   0.11100  1.0 3.0
   37    33    53    56   0.34400  1.0 1.0
   37    33    53    56   0.09450 -1.0 2.0
   37    33    53    56   0.11100  1.0 3.0
   37    33    53    57   0.62750  1.0 1.0
   37    33    53    57  -0.30950 -1.0 2.0
   37    33    53    57   0.27300  1.0 3.0
   37    33    40    43   0.06250  1.0 1.0
   37    33    40    43  -0.01100 -1.0 2.0
   37    33    40    43   0.28050  1.0 3.0
   37    41   -47    48  -0.33500  1.0 1.0
   37    41   -47    48   1.06600 -1.0 2.0
   37    41   -47    48  -0.14000  1.0 3.0
   37    41    47    50   0.25700  1.0 1.0
   37    41    47    50   0.66200 -1.0 2.0
   37    41    47    50   0.04450  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    47   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    47   0.00000  1.0 1.0
   41    47    48    49   7.00000 -1.0 2.0
   41    47    48    53   7.00000 -1.0 2.0
   41    47    50    51   0.15000  1.0 3.0
   41    47    50    52   0.15000  1.0 3.0
   41    47    50    54   0.09700  1.0 1.0
   41    47    50    54   0.15600 -1.0 2.0
   41    47    50    54  -0.50800  1.0 3.0
   42    41    47    48   1.00000 -1.0 2.0
   42    41    47    50  -0.64400  1.0 1.0
   42    41    47    50   0.26850 -1.0 2.0
   47    48   -53    33   0.09850  1.0 1.0
   47    48   -53    33   0.15250 -1.0 2.0
   47    48   -53    33  -0.50650  1.0 3.0
   47    48    53    56  -0.28300  1.0 1.0
   47    48    53    56   0.26700 -1.0 2.0
   47    48    53    56  -0.63300  1.0 3.0
   47    48    53    57   0.39000  1.0 1.0
   47    48    53    57  -0.05800 -1.0 2.0
   47    48    53    57  -0.55150  1.0 3.0
   47    50    54    55   0.00000  1.0 1.0
   47    50    54    58  -0.28300  1.0 1.0
   47    50    54    58   0.26700 -1.0 2.0
   47    50    54    58  -0.63300  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    52   0.00000  1.0 1.0
   48    47    50    54  -0.28300  1.0 1.0
   48    47    50    54   0.26700 -1.0 2.0
   48    47    50    54  -0.63300  1.0 3.0
   48    53    56    61  -0.28300  1.0 1.0
   48    53    56    61   0.26700 -1.0 2.0
   48    53    56    61  -0.63300  1.0 3.0
   48    53    56    63   0.09700  1.0 1.0
   48    53    56    63   0.15600 -1.0 2.0
   48    53    56    63  -0.50800  1.0 3.0
   48    53    57    67  -0.77900  1.0 1.0
   48    53    57    67  -0.36900 -1.0 2.0
   48    53    57    67   0.40400  1.0 3.0
   49    48    53    33   0.00000  1.0 1.0
   49    48    53    56   0.00000  1.0 1.0
   49    48    53    57   0.00000  1.0 1.0
   53    33    37    38   0.15000  1.0 3.0
   53    33    37    39   0.15000  1.0 3.0
   53    33   -37    41  -0.95700  1.0 1.0
   53    33   -37    41  -0.18200 -1.0 2.0
   53    33   -37    41   0.29450  1.0 3.0
   53    33    40    43   0.06250  1.0 1.0
   53    33    40    43  -0.01100 -1.0 2.0
   53    33    40    43   0.28050  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    71   7.00000 -1.0 2.0
   53    56    63    64   0.34800  1.0 3.0
   53    56    63    65   0.34800  1.0 3.0
   53    56    63    66   0.34800  1.0 3.0
   53    57    67    68   0.37050  1.0 3.0
   53    57    67    69   0.37050  1.0 3.0
   53    57    67    70   0.37050  1.0 3.0
   56    53    57    67  -0.77900  1.0 1.0
   56    53    57    67  -0.36900 -1.0 2.0
   56    53    57    67   0.40400  1.0 3.0
   56    61    71    72   0.15800  1.0 1.0
   56    61    71    72   1.85350 -1.0 2.0
   56    61    71    72  -0.48700  1.0 3.0
   56    61    71    78   0.15800  1.0 1.0
   56    61    71    78   1.85350 -1.0 2.0
   56    61    71    78  -0.48700  1.0 3.0
   61    56    63    64   0.00000  1.0 1.0
   61    56    63    65   0.00000  1.0 1.0
   61    56    63    66   0.00000  1.0 1.0
   61    71    72    73   3.62500 -1.0 2.0
   61    71    72    74   3.62500 -1.0 2.0
   61    71    78    77   3.62500 -1.0 2.0
   61    71    78    79   3.62500 -1.0 2.0
   62    61    71    72   0.56550  1.0 3.0
   62    61    71    78   0.56550  1.0 3.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    76   3.62500 -1.0 2.0
   72    71    78    77   3.62500 -1.0 2.0
   72    71    78    79   3.62500 -1.0 2.0
   72    74   -76    77   3.62500 -1.0 2.0
   72    74    76    84   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76    77    80   3.62500 -1.0 2.0
   74    76    84    81   1.63200 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    84   3.62500 -1.0 2.0
   76    77   -78    71   3.62500 -1.0 2.0
   76    77    78    79   3.62500 -1.0 2.0
   76    77   -80    81   1.63200 -1.0 2.0
   77    76   -84    81   1.63200 -1.0 2.0
   77    80    81    82   0.08050  1.0 3.0
   77    80    81    83   0.08050  1.0 3.0
   77    80   -81    84  -0.25600  1.0 1.0
   77    80   -81    84  -0.40050 -1.0 2.0
   77    80   -81    84   0.34700  1.0 3.0
   78    71    72    73   3.62500 -1.0 2.0
   78    71   -72    74   3.62500 -1.0 2.0
   78    77    80    81   1.63200 -1.0 2.0
   80    77    78    71   3.62500 -1.0 2.0
   80    77    78    79   3.62500 -1.0 2.0
   80    81   -84    76  -0.25600  1.0 1.0
   80    81   -84    76  -0.40050 -1.0 2.0
   80    81   -84    76   0.34700  1.0 3.0
   82    81    84    76   0.08050  1.0 3.0
   83    81    84    76   0.08050  1.0 3.0
   84    76    77    78   3.62500 -1.0 2.0
   84    76   -77    80   3.62500 -1.0 2.0
   63    56    61    62   7.00000 -1.0 2.0
   63    56    61    71   7.00000 -1.0 2.0
   57    53    56    61   0.39000  1.0 1.0
   57    53    56    61  -0.05800 -1.0 2.0
   57    53    56    61  -0.55150  1.0 3.0
   57    53    56    63   0.09700  1.0 1.0
   57    53    56    63   0.15600 -1.0 2.0
   57    53    56    63  -0.50800  1.0 3.0
   50    47    48    49   7.00000 -1.0 2.0
   50    47    48    53   7.00000 -1.0 2.0
   50    54    58    59   7.00000 -1.0 2.0
   50    54    58    60   7.00000 -1.0 2.0
   51    50    54    55   0.33100  1.0 3.0
   51    50    54    58   0.00000  1.0 1.0
   52    50    54    55   0.33100  1.0 3.0
   52    50    54    58   0.00000  1.0 1.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    60   7.00000 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41  -0.09450  1.0 1.0
   40    33    37    41  -1.12950 -1.0 2.0
   40    33    37    41   0.54000  1.0 3.0
   40    33    53    48   0.61850  1.0 1.0
   40    33    53    48  -0.22750 -1.0 2.0
   40    33    53    48   0.15300  1.0 3.0
   40    33    53    56   0.61850  1.0 1.0
   40    33    53    56  -0.22750 -1.0 2.0
   40    33    53    56   0.15300  1.0 3.0
   40    33    53    57   1.11900  1.0 1.0
   40    33    53    57  -1.16350 -1.0 2.0
   40    33    53    57  -0.34150  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    41    42  10.50000 -1.0 2.0
   41    50    47    48   1.10000 -1.0 2.0
   53    49    48    47   1.10000 -1.0 2.0
   53    63    56    61  15.00000 -1.0 2.0
   71    62    61    56  15.00000 -1.0 2.0
   72    78    71    61   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    84    76    74   4.00000 -1.0 2.0
   78    80    77    76   4.00000 -1.0 2.0
   77    79    78    71   1.10000 -1.0 2.0
   50    55    54    58  15.00000 -1.0 2.0
   59    60    58    54  15.00000 -1.0 2.0
END
