* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    156    251     469
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02134    79.86596   -83.95946
    3     1 S   H    _H1_     3     1.02104    98.81073    23.57784
    4     1 S   H    _H2_     4     1.02063    36.16027   133.39752
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.82701    98.13378  -178.14544
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C13    37     1.51733   107.61777  -160.00618
   38    37 S   O    _O23    38     1.23150   121.68315    93.54560
   39    33 S   OH   _O30    87     1.42036   110.37429   -42.28968
   40    39 S   HO   _H53    88     0.96996   106.70139   -57.39160
   41    37 S   CM   _C11    39     1.49786   118.80052   -84.31675
   42    41 S   CM   _C10    40     1.34753   120.77667   -11.94709
   43    41 S   OS1  _O34    64     1.38006   113.89318   167.81194
   44    42 S   CO4  _C12    41     1.49544   120.45482    -4.17364
   45    44 S   O    _O22    42     1.23104   120.61600   175.09683
   46    42 S   CO4  _C16    46     1.47460   120.65095   176.40234
   47    46 S   O    _O24    47     1.22432   121.24840    59.98551
   48    43 S   CO1  _C22    65     1.42663   114.81057   -89.81305
   49    48 S   HC   _H46    66     1.09752   107.43901    40.08554
   50    33 S   CT   _C17    43     1.51655   112.01139    78.31188
   51    50 S   HC   _H40    44     1.10160   112.10360   -48.33605
   52    50 S   HC   _H41    45     1.10220   110.16885  -168.90158
   53    46 S   CM   _C15    48     1.48612   114.65695  -120.02423
   54    53 S   HC   _H39    49     1.08447   118.02443     0.00000
   55    48 S   CT   _C20    67     1.52940   107.83198   159.64908
   56    55 S   HC   _H44    68     1.09713   110.62642    51.40633
   57    53 S   CM   _C14    50     1.34083   119.67237   179.44822
   58    57 S   HC   _H38    51     1.08783   120.16635    -0.81229
   59    55 S   CT   _C18    69     1.52847   111.34027   173.94663
   60    59 S   HC   _H42    70     1.09696   110.90798    74.81955
   61    55 S   OH5  _O29    85     1.42681   109.49096   -66.26620
   62    61 S   HO   _H52    86     0.96927   106.42432   -61.60051
   63    57 S   CA   _C8_    52     1.47370   124.66806  -179.62154
   64    59 S   CT   _C19    71     1.52867   111.23106   -48.55140
   65    64 S   HC   _H43    72     1.09747   108.93191   -72.61990
   66    59 S   OH5  _O27    83     1.42895   109.16608  -168.27148
   67    66 S   HO   _H50    84     0.96890   106.29495    61.41280
   68    63 S   CA   _C4_    53     1.39455   120.01534   159.98816
   69    68 S   HA   _H34    54     1.08730   120.84628     0.00000
   70    64 S   CT   _C21    73     1.53045   110.78842    49.57531
   71    70 S   HC   _H45    74     1.09750   110.54150    64.77658
   72    64 S   OH5  _O28    81     1.42546   108.04312   170.66251
   73    72 S   HO   _H51    82     0.96998   106.55285   -60.05778
   74    68 S   CA   _C6_    55     1.39546   119.98687  -179.96574
   75    74 S   HA   _H36    56     1.08649   119.63720  -179.97202
   76    48 S   OS1  _O25    75     1.42527   109.87785   -79.82752
   77    70 S   CT   _C24    76     1.52602   112.22192  -175.04370
   78    77 S   HC   _H47    77     1.09035   109.91384   -60.06821
   79    77 S   HC   _H48    78     1.08978   109.96735   179.07338
   80    74 S   CA   _C9_    57     1.39495   119.97103    -0.01978
   81    77 S   OH5  _O33    79     1.41531   108.57815    59.48547
   82    81 S   HO   _H54    80     0.97235   107.09175   179.98022
   83    80 S   CA   _C7_    58     1.39455   120.04210     0.02798
   84    83 S   HA   _H37    59     1.08685   120.33608   179.97202
   85    80 S   OH   _O26    62     1.36150   119.93816  -179.97202
   86    85 S   HO   _H49    63     0.97034   110.27075    -0.00000
   87    63 S   CA   _C5_    60     1.39576   119.95579   -19.97361
   88    87 S   HA   _H35    61     1.08678   120.86151    -0.03956
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  12   2   1   1  12   5   6   1  12  12  10   7   4   7   3  13
   6   2   1   1   6   3  12   7   8   3  13   7   4   1   9  12
   7   3   1   8   4   9   6   3   1   7   3   4   4   3   2   6
   1   1   5   3   2   1   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    50    51    52    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    44    45    50    51    52    43    39    40  
   35    36  
   36  
    0  
   38    41    42    44    50    51    52    46    43    48    39    40  
   41    42    50    43    39  
   40    41    44    50    51    52  
   50  
   42    44    45    50    46    47    53    43    48    49    55    76  
   44    45    50    51    52    46    47    53    54    57    43    48  
   48    49    55    56    59    70    76    61    44    46  
   45    50    51    52    46    47    53  
   50    51    52    46  
   47    53    54    57    58    63    50  
   53    54    57  
   49    55    56    59    60    64    70    71    76    77    66    61    62  
   55    56    59    70    76    61  
   51    52  
   52  
    0  
   54    57    58    63    68    87  
   57    58    63  
   56    59    60    64    65    70    76    72    66    67    61    62  
   59    60    64    76    66    61    62  
   58    63    68    69    74    83    87    88  
   63    68    87  
   60    64    65    70    71    76    77    72    73    66    67    61    62  
   64    65    70    72    66    67    61  
   62    64    66    76  
    0  
   68    69    74    75    80    83    84    87    88  
   65    70    71    76    77    78    79    81    72    73    66    67  
   70    71    76    77    72    73    66  
   67    70    72  
    0  
   69    74    75    80    83    87    88    85  
   74    75    80    87  
   71    76    77    78    79    81    82    72    73  
   76    77    78    79    81    72  
   73    76    77  
    0  
   75    80    83    84    87    85    86  
   80    83    85  
   77    78    79    81  
   78    79    81    82  
   79    81    82  
   81    82  
   83    84    87    88    85    86  
   82  
    0  
   84    87    88    85    86  
   87    88    85  
   86    87  
    0  
   88  
    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   0.432500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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   317.000  1.522
   33    50   268.000  1.529
   33    39   320.000  1.410
   37    38   570.000  1.229
   37    41   320.000  1.462
   41    42   549.000  1.340
   41    43   440.000  1.360
   42    44   320.000  1.462
   42    46   320.000  1.462
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   46    47   570.000  1.229
   46    53   320.000  1.462
   53    54   340.000  1.080
   53    57   549.000  1.340
   57    58   340.000  1.080
   57    63   320.000  1.460
   63    68   469.000  1.400
   63    87   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   367.000  1.080
   74    80   469.000  1.400
   80    83   469.000  1.400
   80    85   450.000  1.364
   83    84   367.000  1.080
   83    87   469.000  1.400
   87    88   367.000  1.080
   85    86   553.000  0.945
   43    48   370.000  1.399
   48    49   360.000  1.097
   48    55   255.000  1.525
   48    76   370.000  1.399
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   355.000  1.421
   59    60   340.000  1.090
   59    64   268.000  1.529
   59    66   355.000  1.421
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    72   355.000  1.421
   70    71   340.000  1.090
   70    76   335.000  1.422
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    81   355.000  1.421
   81    82   580.000  0.967
   72    73   580.000  0.967
   66    67   580.000  0.967
   61    62   580.000  0.967
   39    40   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  118.62400
   33    50    44    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    52    37.50000  110.70000
   33    39    40    55.00000  108.50000
   37    41    42    65.00000  118.96000
   37    41    43    85.00000  116.28000
   41    37    38    80.00000  123.72100
   41    42    44    65.00000  118.96000
   41    42    46    65.00000  118.96000
   41    43    48    90.00000  111.18400
   42    44    45    80.00000  123.72100
   42    44    50    65.00000  118.62400
   42    46    47    80.00000  123.72100
   42    46    53    65.00000  118.65900
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   50    33    37    63.00000  111.10000
   50    44    45    80.00000  120.40000
   52    50    51    33.00000  107.80000
   46    42    44    65.00000  115.30000
   46    53    54    40.00000  117.72500
   46    53    57    65.00000  118.96000
   53    46    47    80.00000  123.72100
   53    57    58    35.00000  120.00000
   53    57    63    60.00000  123.20500
   57    53    54    35.00000  120.00000
   57    63    68    60.00000  120.93500
   57    63    87    60.00000  120.93500
   63    57    58    40.00000  117.26300
   63    68    69    35.00000  120.00000
   63    68    74    63.00000  120.00000
   63    87    83    63.00000  120.00000
   63    87    88    35.00000  120.00000
   68    74    75    35.00000  120.00000
   68    74    80    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    80    83    63.00000  120.00000
   74    80    85    70.00000  120.00000
   80    74    75    35.00000  120.00000
   80    83    84    35.00000  120.00000
   80    83    87    63.00000  120.00000
   80    85    86    35.00000  113.00000
   83    87    88    35.00000  120.00000
   87    63    68    63.00000  120.00000
   87    83    84    35.00000  120.00000
   85    80    83    70.00000  120.00000
   43    41    42    80.00000  120.01400
   43    48    49    60.00000  105.75400
   43    48    55    90.00000  109.70700
   43    48    76   110.00000  113.16000
   48    55    56    45.00000  109.54000
   48    55    59    70.00000  111.10000
   48    55    61    90.00000  109.42000
   48    76    70    90.00000  112.10700
   55    48    49    45.00000  111.65000
   55    59    60    37.50000  110.70000
   55    59    64    58.35000  112.70000
   55    59    66    90.00000  111.45300
   55    61    62    65.00000  108.53500
   59    55    56    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    70    58.35000  112.70000
   59    64    72    90.00000  111.45300
   59    66    67    65.00000  108.53500
   64    59    60    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    76    95.00000  107.88500
   64    70    77    58.35000  112.70000
   64    72    73    65.00000  108.53500
   70    64    65    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    81    90.00000  111.45300
   76    48    49    60.00000  105.75400
   76    48    55    90.00000  109.70700
   76    70    71    55.00000  108.98800
   77    70    71    37.50000  110.70000
   77    70    76    95.00000  107.88500
   77    81    82    65.00000  108.53500
   79    77    78    33.00000  107.80000
   81    77    78    60.00000  109.39000
   81    77    79    60.00000  109.39000
   72    64    65    60.00000  109.39000
   72    64    70    90.00000  111.45300
   66    59    60    60.00000  109.39000
   66    59    64    90.00000  111.45300
   61    55    56    60.00000  109.39000
   61    55    59    90.00000  111.45300
   39    33    37    90.00000  109.61100
   39    33    50    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    50    44   0.56750  1.0 1.0
   29    33    50    44  -0.07550 -1.0 2.0
   29    33    50    44   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.15000  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42  -0.33500  1.0 1.0
   33    37    41    42   1.06600 -1.0 2.0
   33    37    41    42  -0.14000  1.0 3.0
   33    37    41    43   0.32450 -1.0 2.0
   33    37    41    43   0.17400  1.0 3.0
   37    33    50    44   0.11950  1.0 1.0
   37    33    50    44   0.20300 -1.0 2.0
   37    33    50    44  -0.70800  1.0 3.0
   37    33    50    51  -0.11250  1.0 3.0
   37    33    50    52  -0.11250  1.0 3.0
   37    33    39    40   0.91850  1.0 1.0
   37    33    39    40   0.57950  1.0 3.0
   37    41   -42    44   7.00000 -1.0 2.0
   37    41    42    46   7.00000 -1.0 2.0
   37    41    43    48   0.15100 -1.0 2.0
   38    37    41    42   1.00000 -1.0 2.0
   38    37    41    43  -0.11900  1.0 1.0
   38    37    41    43   0.76850 -1.0 2.0
   38    37    41    43   0.14100  1.0 3.0
   41    42    44    45   1.00000 -1.0 2.0
   41    42    44    50  -0.33500  1.0 1.0
   41    42    44    50   1.06600 -1.0 2.0
   41    42    44    50  -0.14000  1.0 3.0
   41    42    46    47   1.00000 -1.0 2.0
   41    42    46    53  -1.18350  1.0 1.0
   41    42    46    53   1.45950 -1.0 2.0
   41    43    48    49   0.08050  1.0 3.0
   41    43    48    55  -0.46850  1.0 1.0
   41    43    48    55   0.09300 -1.0 2.0
   41    43    48    55  -0.12850  1.0 3.0
   41    43    48    76  -0.48150  1.0 1.0
   41    43    48    76   0.09250 -1.0 2.0
   41    43    48    76  -0.12850  1.0 3.0
   42    41    43    48  -2.26850  1.0 1.0
   42    41    43    48   3.39050 -1.0 2.0
   42    44   -50    33   0.65300  1.0 1.0
   42    44   -50    33  -0.03850 -1.0 2.0
   42    44   -50    33   0.33900  1.0 3.0
   42    44    50    51   0.00000  1.0 1.0
   42    44    50    52   0.00000  1.0 1.0
   42    46    53    54   0.93700 -1.0 2.0
   42    46    53    57  -1.18350  1.0 1.0
   42    46    53    57   1.45950 -1.0 2.0
   44    42    46    47   2.50000 -1.0 2.0
   44    42    46    53   1.50000 -1.0 2.0
   45    44    50    33   0.30150 -1.0 2.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    41   0.65300  1.0 1.0
   50    33   -37    41  -0.03850 -1.0 2.0
   50    33   -37    41   0.33900  1.0 3.0
   50    33    39    40  -0.11600  1.0 1.0
   50    33    39    40  -0.09450 -1.0 2.0
   50    33    39    40   0.21250  1.0 3.0
   46    42    44    45   2.50000 -1.0 2.0
   46    42    44    50   1.50000 -1.0 2.0
   46    53    57    58   7.00000 -1.0 2.0
   46    53    57    63   7.00000 -1.0 2.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    57   1.00000 -1.0 2.0
   53    57    63    68   0.15800  1.0 1.0
   53    57    63    68   1.85350 -1.0 2.0
   53    57    63    68  -0.48700  1.0 3.0
   53    57    63    87   0.15800  1.0 1.0
   53    57    63    87   1.85350 -1.0 2.0
   53    57    63    87  -0.48700  1.0 3.0
   54    53    57    58   7.00000 -1.0 2.0
   54    53    57    63   7.00000 -1.0 2.0
   57    63    68    69   3.62500 -1.0 2.0
   57    63    68    74   3.62500 -1.0 2.0
   57    63    87    83   3.62500 -1.0 2.0
   57    63    87    88   3.62500 -1.0 2.0
   58    57    63    68   0.56550  1.0 3.0
   58    57    63    87   0.56550  1.0 3.0
   63    68    74    75   3.62500 -1.0 2.0
   63    68    74    80   3.62500 -1.0 2.0
   68    63    87    83   3.62500 -1.0 2.0
   68    63    87    88   3.62500 -1.0 2.0
   68    74   -80    83   3.62500 -1.0 2.0
   68    74    80    85   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   69    68    74    80   3.62500 -1.0 2.0
   74    80    83    84   3.62500 -1.0 2.0
   74    80    83    87   3.62500 -1.0 2.0
   74    80    85    86   0.84100 -1.0 2.0
   75    74    80    83   3.62500 -1.0 2.0
   75    74    80    85   3.62500 -1.0 2.0
   80    83   -87    63   3.62500 -1.0 2.0
   80    83    87    88   3.62500 -1.0 2.0
   83    80    85    86   0.84100 -1.0 2.0
   84    83    87    63   3.62500 -1.0 2.0
   84    83    87    88   3.62500 -1.0 2.0
   87    63    68    69   3.62500 -1.0 2.0
   87    63   -68    74   3.62500 -1.0 2.0
   85    80    83    84   3.62500 -1.0 2.0
   85    80    83    87   3.62500 -1.0 2.0
   43    41    42    44   7.00000 -1.0 2.0
   43    41    42    46   7.00000 -1.0 2.0
   43    48    55    56   0.23400  1.0 3.0
   43    48    55    59   0.62750  1.0 1.0
   43    48    55    59  -0.30950 -1.0 2.0
   43    48    55    59   0.27300  1.0 3.0
   43    48    55    61   1.51850  1.0 1.0
   43    48    76    70  -0.70400  1.0 1.0
   43    48    76    70  -0.90350 -1.0 2.0
   48    55    59    60   0.15000  1.0 3.0
   48    55    59    64   0.56750  1.0 1.0
   48    55    59    64  -0.07550 -1.0 2.0
   48    55    59    64   0.20000  1.0 3.0
   48    55    59    66  -0.47750  1.0 1.0
   48    55    61    62   0.29150  1.0 1.0
   48    55    61    62  -0.28350 -1.0 2.0
   48    55    61    62   0.43600  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    59   0.15000  1.0 3.0
   49    48    55    61   0.23400  1.0 3.0
   49    48    76    70   0.37050  1.0 3.0
   55    48    76    70   0.06250  1.0 1.0
   55    48    76    70  -0.01100 -1.0 2.0
   55    48    76    70   0.28050  1.0 3.0
   55    59    64    65   0.15000  1.0 3.0
   55    59   -64    70   0.56750  1.0 1.0
   55    59   -64    70  -0.07550 -1.0 2.0
   55    59   -64    70   0.20000  1.0 3.0
   55    59    64    72  -0.47750  1.0 1.0
   55    59    66    67   0.29150  1.0 1.0
   55    59    66    67  -0.28350 -1.0 2.0
   55    59    66    67   0.43600  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    64   0.15000  1.0 3.0
   56    55    59    66   0.23400  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   59    55    61    62   0.29150  1.0 1.0
   59    55    61    62  -0.28350 -1.0 2.0
   59    55    61    62   0.43600  1.0 3.0
   59    64    70    71   0.15000  1.0 3.0
   59    64    70    76   0.62750  1.0 1.0
   59    64    70    76  -0.30950 -1.0 2.0
   59    64    70    76   0.27300  1.0 3.0
   59    64    70    77   0.56750  1.0 1.0
   59    64    70    77  -0.07550 -1.0 2.0
   59    64    70    77   0.20000  1.0 3.0
   59    64    72    73   0.29150  1.0 1.0
   59    64    72    73  -0.28350 -1.0 2.0
   59    64    72    73   0.43600  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    70   0.15000  1.0 3.0
   60    59    64    72   0.23400  1.0 3.0
   60    59    66    67   0.19450  1.0 3.0
   64    59    66    67   0.29150  1.0 1.0
   64    59    66    67  -0.28350 -1.0 2.0
   64    59    66    67   0.43600  1.0 3.0
   64    70   -76    48   0.06250  1.0 1.0
   64    70   -76    48  -0.01100 -1.0 2.0
   64    70   -76    48   0.28050  1.0 3.0
   64    70    77    78   0.15000  1.0 3.0
   64    70    77    79   0.15000  1.0 3.0
   64    70    77    81  -0.47750  1.0 1.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    76   0.23400  1.0 3.0
   65    64    70    77   0.15000  1.0 3.0
   65    64    72    73   0.19450  1.0 3.0
   70    64    72    73   0.29150  1.0 1.0
   70    64    72    73  -0.28350 -1.0 2.0
   70    64    72    73   0.43600  1.0 3.0
   70    77    81    82   0.29150  1.0 1.0
   70    77    81    82  -0.28350 -1.0 2.0
   70    77    81    82   0.43600  1.0 3.0
   71    70    76    48   0.37050  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   71    70    77    81   0.23400  1.0 3.0
   76    48    55    56   0.23400  1.0 3.0
   76    48   -55    59   0.62750  1.0 1.0
   76    48   -55    59  -0.30950 -1.0 2.0
   76    48   -55    59   0.27300  1.0 3.0
   76    48    55    61   1.51850  1.0 1.0
   76    70    77    78   0.23400  1.0 3.0
   76    70    77    79   0.23400  1.0 3.0
   76    70    77    81   1.51850  1.0 1.0
   77    70    76    48   0.06250  1.0 1.0
   77    70    76    48  -0.01100 -1.0 2.0
   77    70    76    48   0.28050  1.0 3.0
   78    77    81    82   0.19450  1.0 3.0
   79    77    81    82   0.19450  1.0 3.0
   72    64    70    71   0.23400  1.0 3.0
   72    64    70    76   1.51850  1.0 1.0
   72    64    70    77  -0.47750  1.0 1.0
   66    59    64    65   0.23400  1.0 3.0
   66    59    64    70  -0.47750  1.0 1.0
   66    59    64    72   3.77950  1.0 1.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    64  -0.47750  1.0 1.0
   61    55    59    66   3.77950  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    50    44  -0.09450  1.0 1.0
   39    33    50    44  -1.12950 -1.0 2.0
   39    33    50    44   0.54000  1.0 3.0
   39    33    50    51   0.23400  1.0 3.0
   39    33    50    52   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   37    43    41    42   1.10000 -1.0 2.0
   44    46    42    41   1.10000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   42    53    46    47  10.50000 -1.0 2.0
   46    54    53    57  15.00000 -1.0 2.0
   63    58    57    53  15.00000 -1.0 2.0
   68    87    63    57   4.00000 -1.0 2.0
   74    69    68    63   1.10000 -1.0 2.0
   80    75    74    68   1.10000 -1.0 2.0
   83    85    80    74   4.00000 -1.0 2.0
   87    84    83    80   1.10000 -1.0 2.0
   83    88    87    63   1.10000 -1.0 2.0
END
