* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    165    261     494
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02124    80.51749   -83.08459
    3     1 S   H    _H1_     3     1.02060    98.34445    24.58819
    4     1 S   H    _H2_     4     1.02132    35.79415   135.07951
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C5_    36     1.80962    98.53275  -178.17587
   34    33 S   HC   _H3_    37     1.08990   109.39216    43.40263
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C6_    38     1.51152   107.25382   160.01348
   39    33 S   CT   _C4_    84     1.51393   111.14098   -79.69629
   40    39 S   HC   _H9_    85     1.09585   110.91726   -57.93223
   41    39 S   HC   _H10    86     1.09625   112.35281  -179.43317
   42    39 S   HC   _H11    87     1.09658   110.53349    61.27968
   43    38 S   CM   _C7_    39     1.35673   123.40807    62.25604
   44    38 S   CT   _C18    66     1.51926   113.51518  -119.55288
   45    44 S   HC   _H20    67     1.09945   108.35462  -162.25523
   46    44 S   HC   _H21    68     1.09661   111.18607   -49.25212
   47    43 S   OS   _O33    40     1.38451   121.92461  -178.51312
   48    43 S   OH   _O38    82     1.38538   122.55846    -6.06282
   49    48 S   HO   _H29    83     0.96072   109.57480   179.97202
   50    47 S   CT   _C8_    41     1.42914   114.95730   -90.95247
   51    50 S   HC   _H4_    42     1.11266   112.34009    63.82222
   52    50 S   CT   _C9_    43     1.53136   113.23165   -63.50628
   53    52 S   HC   _H12    44     1.09699   110.44006   168.80812
   54    52 S   HC   _H13    45     1.09506   113.21775    46.92640
   55    52 S   CT   _C10    46     1.51489   103.08063   -73.21820
   56    55 S   HC   _H14    47     1.09499   112.20985    76.54524
   57    55 S   HC   _H15    48     1.09391   113.75899  -157.20693
   58    55 S   NP   _N4_    49     1.50816   103.23149   -40.09220
   59    58 S   H    _H5_    50     1.01959   108.30741   -97.42457
   60    58 S   CT   _C21    51     1.51028   115.90343   140.76591
   61    60 S   HC   _H26    52     1.10215   107.11270   129.30362
   62    60 S   HC   _H27    53     1.10211   107.78908    11.00636
   63    60 S   CT   _C20    54     1.51888   104.72966  -108.82454
   64    63 S   HC   _H8_    55     1.10232   111.43648    88.01176
   65    63 S   CT   _C12    56     1.52738   103.14692   -33.40180
   66    65 S   HC   _H7_    57     1.11403   109.24789   -69.57490
   67    63 S   OH   _O37    80     1.41699   111.02562  -151.64137
   68    67 S   HO   _H28    81     0.96972   106.41059   -60.00923
   69    65 S   CT   _C13    58     1.52847   115.64033   172.59652
   70    69 S   HC   _H16    59     1.09800   108.71817    72.17267
   71    69 S   HC   _H17    60     1.09731   110.57095  -169.86050
   72    50 S   CT   _C11    78     1.54220   110.97095  -176.80524
   73    72 S   HC   _H6_    79     1.07667   110.06187  -161.71286
   74    69 S   OS   _O34    61     1.42962   111.28241   -45.31470
   75    74 S   CO4  _C14    62     1.36402   116.48369  -171.94651
   76    75 S   O    _O35    63     1.22565   125.45777    -6.21325
   77    75 S   CT   _C15    64     1.53254   110.37260   170.39450
   78    77 S   CM   _C16    65     1.52923   106.40303  -102.04351
   79    77 S   CT   _C19    72     1.53574   107.84215   132.50056
   80    79 S   HC   _H22    73     1.08556   109.37947   -60.61013
   81    79 S   HC   _H23    74     1.08538   109.39706   179.38261
   82    79 S   HC   _H24    75     1.08601   109.38179    59.37271
   83    77 S   OH   _O36    76     1.42140   111.37523    15.92456
   84    83 S   HO   _H25    77     0.96964   106.61033  -176.77305
   85    78 S   CM   _C17    69     1.34535   123.46371  -120.09391
   86    85 S   HC   _H18    70     1.07904   120.21185    -2.55780
   87    85 S   HC   _H19    71     1.07853   120.28127   177.38641
  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   9   5   4   3
  13   7   2   1   1  15   5   2   1   1  11  12   4   3  12   2
   1  16   8  11   6   5  11   5   4  12   7  11   6   5  11   6
  10   7   3   1   8   4   3   2   1   6  10   4  10   9   6   3
   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    44    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    47    78    44    45    46    48    39    40    41    42  
   38    43    44    39    40    41    42  
   36    37  
   37  
    0  
   43    47    50    77    78    44    45    46    85    48    49    39    40    41    42  
   40    41    42    43    44  
   41    42  
   42  
    0  
   47    50    51    52    78    44    45    46    72    48    49  
   45    46    85    86    87    79    83    48    47    75    77    78  
   46    85    77    78  
   85    77    78  
   50    51    52    53    54    55    58    65    72    73    48    49  
   49    50  
    0  
   51    52    53    54    55    56    57    58    59    60    63    65    66    69    72    73  
   52    53    54    55    58    65    72    73  
   53    54    55    56    57    58    59    60    65    72    73  
   54    55    56    57    58    72  
   55    56    57    58    72  
   56    57    58    59    60    61    62    63    65    72    73  
   57    58    59    60    72  
   58    59    60    72  
   59    60    61    62    63    64    65    66    69    72    73    67  
   60    61    62    63    65    72    73  
   61    62    63    64    65    66    69    72    73    67    68  
   62    63    64    65    72    67  
   63    64    65    72    67  
   64    65    66    69    70    71    74    72    73    67    68  
   65    66    69    72    67    68  
   66    69    70    71    74    75    72    73    67    68  
   69    70    71    74    72    73    67  
   68    69    72  
    0  
   70    71    74    75    76    77    72    73  
   71    74    75    72  
   74    75    72  
   73    74  
    0  
   75    76    77    78    79    83  
   76    77    78    85    79    80    81    82    83    84  
   77    78    79    83  
   78    85    86    87    79    80    81    82    83    84  
   85    86    87    79    80    81    82    83    84  
   80    81    82    83    84    85  
   81    82    83  
   82    83  
   83  
   84    85  
    0  
   86    87  
   87  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.120000   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   59   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   85   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   549.000  1.340
   38    44   317.000  1.510
   43    47   440.000  1.360
   43    48   510.000  1.338
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    72   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   367.000  1.471
   58    59   434.000  1.010
   58    60   367.000  1.471
   58    72   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   320.000  1.410
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   320.000  1.410
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   317.000  1.510
   77    79   268.000  1.529
   77    83   320.000  1.410
   78    44   317.000  1.510
   78    85   549.000  1.340
   44    45   340.000  1.090
   44    46   340.000  1.090
   85    86   340.000  1.080
   85    87   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   553.000  0.945
   72    73   340.000  1.090
   67    68   553.000  0.945
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    47    80.00000  120.01400
   38    43    48    80.00000  121.38400
   38    44    78    70.00000  110.12100
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   43    47    50    90.00000  111.18400
   43    48    49    70.00000  107.45700
   47    50    51    35.00000  109.50000
   47    50    52    50.00000  109.50000
   47    50    72    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    72    58    80.00000  111.20000
   50    72    65    58.35000  112.70000
   50    72    73    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    80.00000  111.20000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    35.00000  109.50000
   55    58    60    75.00000  113.01200
   55    58    72    75.00000  113.01200
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    80.00000  111.20000
   58    72    65    80.00000  111.20000
   58    72    73    35.00000  109.50000
   60    58    59    35.00000  109.50000
   60    63    64    37.50000  110.70000
   60    63    65    58.35000  112.70000
   60    63    67    50.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    72    58.35000  112.70000
   63    67    68    55.00000  108.50000
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    74    50.00000  109.50000
   65    72    73    37.50000  110.70000
   69    65    66    37.50000  110.70000
   69    74    75    83.00000  116.90000
   71    69    70    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    35.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    81.00000  111.40000
   75    77    78    70.00000  109.06800
   75    77    79    63.00000  111.10000
   75    77    83    90.00000  109.61100
   77    75    76    80.00000  120.40000
   77    78    44    65.00000  117.92700
   77    78    85    70.00000  124.00000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    82    37.50000  110.70000
   77    83    84    55.00000  108.50000
   78    44    45    35.00000  109.50000
   78    44    46    35.00000  109.50000
   78    85    86    35.00000  120.00000
   78    85    87    35.00000  120.00000
   44    38    43    70.00000  124.00000
   46    44    45    33.00000  107.80000
   85    78    44    70.00000  124.00000
   87    85    86    35.00000  117.00000
   79    77    78    70.00000  112.02700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    77    78    90.00000  110.39200
   83    77    79    50.00000  109.50000
   72    50    51    37.50000  110.70000
   72    50    52    58.35000  112.70000
   72    58    59    35.00000  109.50000
   72    58    60    75.00000  113.01200
   72    65    66    37.50000  110.70000
   72    65    69    58.35000  112.70000
   67    63    64    35.00000  109.50000
   67    63    65    50.00000  109.50000
   48    43    47   115.00000  116.36000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    47   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    44    78   0.09700  1.0 1.0
   33    38    44    78   0.15600 -1.0 2.0
   33    38    44    78  -0.50800  1.0 3.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    46   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    47    50  -2.26850  1.0 1.0
   38    43    47    50   3.39050 -1.0 2.0
   38    43    48    49  -0.66100  1.0 1.0
   38    43    48    49   1.20850 -1.0 2.0
   38    43    48    49  -0.36000  1.0 3.0
   43    38    44    78  -0.28300  1.0 1.0
   43    38    44    78   0.26700 -1.0 2.0
   43    38    44    78  -0.63300  1.0 3.0
   43    38    44    45   0.00000  1.0 1.0
   43    38    44    46   0.00000  1.0 1.0
   43    47    50    51   0.08050  1.0 3.0
   43    47    50    52  -0.46850  1.0 1.0
   43    47    50    52   0.09300 -1.0 2.0
   43    47    50    52  -0.12850  1.0 3.0
   43    47    50    72  -0.46850  1.0 1.0
   43    47    50    72   0.09300 -1.0 2.0
   43    47    50    72  -0.12850  1.0 3.0
   47    43    48    49   2.00000 -1.0 2.0
   47    50    52    53   0.23400  1.0 3.0
   47    50    52    54   0.23400  1.0 3.0
   47    50    52    55   0.62750  1.0 1.0
   47    50    52    55  -0.30950 -1.0 2.0
   47    50    52    55   0.27300  1.0 3.0
   47    50    72    58   1.69300  1.0 1.0
   47    50    72    58  -0.48450 -1.0 2.0
   47    50    72    65   0.62750  1.0 1.0
   47    50    72    65  -0.30950 -1.0 2.0
   47    50    72    65   0.27300  1.0 3.0
   47    50    72    73   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.36600  1.0 1.0
   50    52   -55    58  -0.11450 -1.0 2.0
   50    52   -55    58   0.24250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    72    58   0.19200  1.0 3.0
   51    50    72    65   0.15000  1.0 3.0
   51    50    72    73   0.15000  1.0 3.0
   52    50   -72    58   1.36600  1.0 1.0
   52    50   -72    58  -0.11450 -1.0 2.0
   52    50   -72    58   0.24250  1.0 3.0
   52    50    72    65   0.56750  1.0 1.0
   52    50    72    65  -0.07550 -1.0 2.0
   52    50    72    65   0.20000  1.0 3.0
   52    50    72    73   0.15000  1.0 3.0
   52    55    58    59   0.17350  1.0 3.0
   52    55    58    60   0.47100  1.0 1.0
   52    55   -58    72   0.47100  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.19200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.19200  1.0 3.0
   55    58    60    61   0.15000  1.0 3.0
   55    58    60    62   0.15000  1.0 3.0
   55    58    60    63   0.47100  1.0 1.0
   55    58   -72    50   0.47100  1.0 1.0
   55    58    72    65   0.47100  1.0 1.0
   55    58    72    73   0.15000  1.0 3.0
   56    55    58    59   0.13050  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    72   0.15000  1.0 3.0
   57    55    58    59   0.13050  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    72   0.15000  1.0 3.0
   58    60    63    64   0.19200  1.0 3.0
   58    60   -63    65   1.36600  1.0 1.0
   58    60   -63    65  -0.11450 -1.0 2.0
   58    60   -63    65   0.24250  1.0 3.0
   58    60    63    67   1.69300  1.0 1.0
   58    60    63    67  -0.48450 -1.0 2.0
   59    58    60    61   0.13050  1.0 3.0
   59    58    60    62   0.13050  1.0 3.0
   59    58    60    63   0.17350  1.0 3.0
   59    58    72    50   0.17350  1.0 3.0
   59    58    72    65   0.17350  1.0 3.0
   59    58    72    73   0.13050  1.0 3.0
   60    58    72    50   0.47100  1.0 1.0
   60    58   -72    65   0.47100  1.0 1.0
   60    58    72    73   0.15000  1.0 3.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    69   0.56750  1.0 1.0
   60    63    65    69  -0.07550 -1.0 2.0
   60    63    65    69   0.20000  1.0 3.0
   60    63   -65    72   0.56750  1.0 1.0
   60    63   -65    72  -0.07550 -1.0 2.0
   60    63   -65    72   0.20000  1.0 3.0
   60    63    67    68  -0.11600  1.0 1.0
   60    63    67    68  -0.09450 -1.0 2.0
   60    63    67    68   0.21250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    67   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    67   0.23400  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65    69    71   0.15000  1.0 3.0
   63    65    69    74   0.62750  1.0 1.0
   63    65    69    74  -0.30950 -1.0 2.0
   63    65    69    74   0.27300  1.0 3.0
   63    65    72    50   0.56750  1.0 1.0
   63    65    72    50  -0.07550 -1.0 2.0
   63    65    72    50   0.20000  1.0 3.0
   63    65   -72    58   1.36600  1.0 1.0
   63    65   -72    58  -0.11450 -1.0 2.0
   63    65   -72    58   0.24250  1.0 3.0
   63    65    72    73   0.15000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    72   0.15000  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68  -0.11600  1.0 1.0
   65    63    67    68  -0.09450 -1.0 2.0
   65    63    67    68   0.21250  1.0 3.0
   65    69    74    75  -0.25900  1.0 1.0
   65    69    74    75  -0.47000 -1.0 2.0
   65    69    74    75   0.11750  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    74   0.23400  1.0 3.0
   66    65    72    50   0.15000  1.0 3.0
   66    65    72    58   0.19200  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   69    65    72    50   0.56750  1.0 1.0
   69    65    72    50  -0.07550 -1.0 2.0
   69    65    72    50   0.20000  1.0 3.0
   69    65    72    58   1.36600  1.0 1.0
   69    65    72    58  -0.11450 -1.0 2.0
   69    65    72    58   0.24250  1.0 3.0
   69    65    72    73   0.15000  1.0 3.0
   69    74    75    76   3.00000 -1.0 2.0
   69    74    75    77   1.63150  1.0 1.0
   69    74    75    77   2.92000 -1.0 2.0
   70    69    74    75   0.08050  1.0 3.0
   71    69    74    75   0.08050  1.0 3.0
   74    75    77    78   0.40000  1.0 3.0
   74    75    77    79   0.36750  1.0 3.0
   74    75    77    83   0.30750  1.0 1.0
   74    75    77    83   1.13850 -1.0 2.0
   74    75    77    83   0.38850  1.0 3.0
   75    77    78    44   0.17250  1.0 1.0
   75    77    78    44  -0.04100 -1.0 2.0
   75    77    78    44  -0.33850  1.0 3.0
   75    77    78    85  -0.51250  1.0 1.0
   75    77    78    85  -0.88800 -1.0 2.0
   75    77    78    85   0.08850  1.0 3.0
   75    77    79    80  -0.11250  1.0 3.0
   75    77    79    81  -0.11250  1.0 3.0
   75    77    79    82  -0.11250  1.0 3.0
   75    77    83    84   0.91850  1.0 1.0
   75    77    83    84   0.57950  1.0 3.0
   76    75    77    78   0.30150 -1.0 2.0
   76    75    77    79   0.30150 -1.0 2.0
   76    75    77    83   0.30150 -1.0 2.0
   77    78    44    38   0.09700  1.0 1.0
   77    78    44    38   0.15600 -1.0 2.0
   77    78    44    38  -0.50800  1.0 3.0
   77    78    44    45   0.34800  1.0 3.0
   77    78    44    46   0.34800  1.0 3.0
   77    78    85    86   7.00000 -1.0 2.0
   77    78    85    87   7.00000 -1.0 2.0
   78    77    79    80   0.15000  1.0 3.0
   78    77    79    81   0.15000  1.0 3.0
   78    77    79    82   0.15000  1.0 3.0
   78    77    83    84  -0.07800  1.0 1.0
   78    77    83    84  -0.21500 -1.0 2.0
   78    77    83    84  -0.03150  1.0 3.0
   44    38    43    47   7.00000 -1.0 2.0
   44    38    43    48   7.00000 -1.0 2.0
   44    78    85    86   7.00000 -1.0 2.0
   44    78    85    87   7.00000 -1.0 2.0
   85    78    44    38  -0.28300  1.0 1.0
   85    78    44    38   0.26700 -1.0 2.0
   85    78    44    38  -0.63300  1.0 3.0
   85    78    44    45   0.00000  1.0 1.0
   85    78    44    46   0.00000  1.0 1.0
   79    77    78    44   0.46850  1.0 1.0
   79    77    78    44   0.08550 -1.0 2.0
   79    77    78    44   0.09800  1.0 3.0
   79    77    78    85   0.09850  1.0 1.0
   79    77    78    85   0.15250 -1.0 2.0
   79    77    78    85  -0.50650  1.0 3.0
   79    77    83    84  -0.11600  1.0 1.0
   79    77    83    84  -0.09450 -1.0 2.0
   79    77    83    84   0.21250  1.0 3.0
   83    77    78    44   0.18000  1.0 1.0
   83    77    78    44   0.16450 -1.0 2.0
   83    77    78    44   0.04450  1.0 3.0
   83    77    78    85   0.67800  1.0 1.0
   83    77    78    85   0.47050 -1.0 2.0
   83    77    78    85  -0.62500  1.0 3.0
   83    77    79    80   0.23400  1.0 3.0
   83    77    79    81   0.23400  1.0 3.0
   83    77    79    82   0.23400  1.0 3.0
   72    50    52    53   0.15000  1.0 3.0
   72    50    52    54   0.15000  1.0 3.0
   72    50   -52    55   0.56750  1.0 1.0
   72    50   -52    55  -0.07550 -1.0 2.0
   72    50   -52    55   0.20000  1.0 3.0
   72    58    60    61   0.15000  1.0 3.0
   72    58    60    62   0.15000  1.0 3.0
   72    58   -60    63   0.47100  1.0 1.0
   72    65    69    70   0.15000  1.0 3.0
   72    65    69    71   0.15000  1.0 3.0
   72    65    69    74   0.62750  1.0 1.0
   72    65    69    74  -0.30950 -1.0 2.0
   72    65    69    74   0.27300  1.0 3.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69   0.86500  1.0 1.0
   67    63    65    69  -0.17500 -1.0 2.0
   67    63    65    69   0.20800  1.0 3.0
   67    63    65    72   0.86500  1.0 1.0
   67    63    65    72  -0.17500 -1.0 2.0
   67    63    65    72   0.20800  1.0 3.0
   48    43    47    50   2.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    44   0.46850  1.0 1.0
   39    33    38    44   0.08550 -1.0 2.0
   39    33    38    44   0.09800  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
   36    30    35    37  10.50000 -1.0 2.0
   33    44    38    43   1.10000 -1.0 2.0
   47    48    43    38   1.10000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   77    44    78    85   1.10000 -1.0 2.0
   86    87    85    78   1.10000 -1.0 2.0
END
