* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    146    219     423
    1     0 S   NP   _N1_     1    28.49097    97.70199   -19.48335
    2     1 S   H    _HN1     2     1.02954    69.19129    -5.83301
    3     1 S   H    _H1_     3     1.02839    50.66015   130.16417
    4     1 S   H    _H2_     4     1.02788    89.15640  -115.75161
    5     1 S   CT   _CA1     5     1.50101   156.62575    87.83835
    6     5 S   HC   _HA1     6     1.09590   105.22321    93.17286
    7     5 S   CO3  _C1_     7     1.53950   112.16042   -26.74995
    8     7 S   O2Z  _O11     8     1.26333   115.03889   -50.98311
    9     7 S   O2Z  _O12     9     1.26321   115.04356   128.14205
   10     5 S   CT   _CB1    10     1.53241   107.33845  -149.25118
   11    10 S   HC   HB11    11     1.09808   109.54655   -52.46987
   12    10 S   HC   HB12    12     1.09802   110.46135    64.26630
   13    10 S   CT   _CG1    13     1.52819   112.22334  -173.52256
   14    13 S   HC   HG11    14     1.09309   109.70720   -63.88350
   15    13 S   HC   HG12    15     1.09643   110.01172    55.14222
   16    13 S   C    _CD1    16     1.51728   113.06944   176.60137
   17    16 S   O    _OE1    17     1.22721   123.35103     5.02484
   18    16 S   N    _N2_    18     1.38633   111.54545  -175.56337
   19    18 S   H    _HN2    19     1.01548   118.85244     5.55524
   20    18 S   CT1  _CA2    20     1.45711   123.00390   178.78598
   21    20 S   HC   _HA2    21     1.09715   108.77708    27.78855
   22    20 S   C    _C2_    22     1.52936   106.93033   -89.42869
   23    22 S   O    _O2_    23     1.22961   122.89437   -28.37855
   24    20 S   CT   _CB2    32     1.53282   112.51039   151.19689
   25    24 S   HC   HB21    33     1.09482   110.54198    57.02848
   26    24 S   HC   HB22    34     1.09567   110.11064   174.43577
   27    22 S   N    _N3_    24     1.38611   112.42236   154.63774
   28    27 S   H    _HN3    25     1.01492   119.75493     0.77025
   29    24 S   S    _SG2    35     1.82862   111.85055   -66.96461
   30    27 S   CT   _CA3    26     1.45437   122.71492   175.17485
   31    30 S   HC   HA31    27     1.09546   108.82928    32.58505
   32    30 S   HC   HA32    28     1.09476   107.20310   149.70096
   33    29 S   CT   _C16    36     1.84315   100.38922   125.18829
   34    33 S   HC   _H3_    37     1.09716   106.99867    45.26891
   35    30 S   CO3  _C3_    29     1.53072   113.68052   -90.31815
   36    35 S   O2Z  _O31    30     1.26369   115.86485   -30.15002
   37    35 S   O2Z  _O32    31     1.26419   114.65341   150.69787
   38    33 S   CA   _C17    38     1.51941   111.24564   -74.53551
   39    33 S   CT   _C15    50     1.53952   108.35706   160.92316
   40    39 S   HC   _H12    51     1.09746   110.98993   -57.59930
   41    39 S   HC   _H13    52     1.09580   110.88857    61.24153
   42    38 S   CA   _C18    39     1.40489   119.62010   112.19191
   43    42 S   HA   _H14    40     1.08758   120.40078     0.21761
   44    39 S   CO4  _C14    53     1.52056   110.88558  -176.03617
   45    44 S   O    _O34    54     1.22765   122.85357    55.52828
   46    42 S   CA   _C19    41     1.39564   120.79640  -179.30114
   47    46 S   HA   _H15    42     1.08615   119.89345   179.14889
   48    44 S   CA   _C12    55     1.48260   117.99277  -120.58699
   49    46 S   CA   _C20    43     1.39004   119.59958    -0.06561
   50    48 S   CA   _C11    56     1.40441   120.31614   -56.67932
   51    49 S   CA   _C21    44     1.39116   120.71376    -1.27580
   52    51 S   HA   _H16    45     1.08636   120.88435  -179.42291
   53    49 S   OH   _O35    48     1.36590   118.32675   177.90997
   54    53 S   HO   _H18    49     0.97672   108.41344  -165.09746
   55    50 S   CA   _C10    57     1.39723   118.72652   176.14745
   56    55 S   HA   _H10    58     1.08560   121.17986  -179.66428
   57    50 S   OS   _O36    80     1.37085   116.73094    -4.84816
   58    38 S   CA   _C22    46     1.40526   121.88043   -68.05649
   59    58 S   HA   _H17    47     1.08712   120.70896     0.28871
   60    55 S   CA   _C9_    59     1.40031   120.30595     0.13417
   61    57 S   CT   _C23    81     1.42233   117.56017   178.55260
   62    61 S   HC   _H19    82     1.09427   107.72014  -178.80450
   63    61 S   HC   _H20    83     1.09487   111.10459    63.50188
   64    61 S   HC   _H21    84     1.09496   111.16044   -61.08788
   65    60 S   CA   _C8_    60     1.40183   121.67272     1.29709
   66    60 S   OH   _O37    78     1.37068   119.23528  -178.95096
   67    66 S   HO   _H22    79     0.97203   109.13040     0.99564
   68    48 S   CA   _C13    61     1.40604   119.05593   121.58581
   69    65 S   CT   _C7_    64     1.51480   121.14043  -178.39331
   70    69 S   HC   _H8_    65     1.09784   109.42156  -143.15632
   71    69 S   HC   _H9_    66     1.09399   110.26200   -29.67288
   72    68 S   OH   _O33    62     1.37244   121.62177     3.27990
   73    72 S   HO   _H11    63     0.97256   109.64547    10.35064
   74    69 S   CM   _C6_    67     1.50509   112.14424    96.42750
   75    74 S   HC   _H7_    68     1.08996   113.91907    70.88331
   76    74 S   CM   _C5_    69     1.34671   128.41053  -109.99600
   77    76 S   CT   _C4_    70     1.50635   120.30722  -179.82196
   78    77 S   HC   _H4_    71     1.09493   110.24875   120.71580
   79    77 S   HC   _H5_    72     1.09496   110.24023  -119.44426
   80    77 S   HC   _H6_    73     1.09468   112.46324     0.64163
   81    76 S   CT   _C24    74     1.50207   125.43952     0.66027
   82    81 S   HC   _H23    75     1.09517   110.02083   119.51007
   83    81 S   HC   _H24    76     1.09517   110.03273  -121.25323
   84    81 S   HC   _H25    77     1.09124   113.73100    -0.91064
  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
  14   7   2   1   1  13   9   4   3   8   4   8   3   7   3  11
   6  12   5   3   2   1   9   4   6   1   1   9   3   2   1   1
  11   3   1   6   8   4   3   1   1  10   3   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    58    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    51    58    59    39    40    41    44    45    48  
   38    42    58    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    51    52    58    59    39    40    41    44  
   40    41    44    45    48    50    68    42    58  
   41    44    45    48  
   44    45    48  
   43    46    47    49    51    58    59    53  
   46    47    49    58  
   45    48    50    55    65    68    72    57  
   48    50    68  
   47    49    51    52    58    53    54  
   49    51    53  
   50    55    56    60    65    68    72    73    69    57    61  
   51    52    58    59    53    54  
   55    56    60    65    68    72    66    57    61    62    63    64  
   52    58    59    53    54  
   58    59    53  
   54    58  
    0  
   56    60    65    68    69    66    67    57    61  
   60    65    66    57  
   61    62    63    64    60    68  
   59  
    0  
   65    68    72    69    70    71    74    66    67  
   62    63    64  
   63    64  
   64  
    0  
   68    72    73    69    70    71    74    75    76    66    67  
   67    68    69  
    0  
   72    73    69    70    71    74  
   70    71    74    75    76    77    81    72  
   71    74    75    76  
   74    75    76  
   73  
    0  
   75    76    77    78    79    80    81    82    83    84  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   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    42   469.000  1.400
   38    58   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    51   469.000  1.400
   49    53   450.000  1.364
   51    52   367.000  1.080
   51    58   469.000  1.400
   58    59   367.000  1.080
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   310.000  1.470
   48    50   469.000  1.400
   48    68   469.000  1.400
   50    55   469.000  1.400
   50    57   450.000  1.364
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    65   469.000  1.400
   60    66   450.000  1.364
   65    68   469.000  1.400
   65    69   317.000  1.510
   68    72   450.000  1.364
   72    73   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   317.000  1.510
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   317.000  1.510
   76    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   66    67   553.000  0.945
   57    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    58    51    63.00000  120.00000
   38    58    59    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    51    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    51    52    35.00000  120.00000
   49    51    58    63.00000  120.00000
   49    53    54    35.00000  113.00000
   51    58    59    35.00000  120.00000
   58    38    42    63.00000  120.00000
   58    51    52    35.00000  120.00000
   53    49    51    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    65.00000  115.47100
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    60.00000  119.52600
   44    48    68    60.00000  119.52600
   48    44    45    75.00000  123.78400
   48    50    55    63.00000  120.00000
   48    50    57    70.00000  120.00000
   48    68    65    63.00000  120.00000
   48    68    72    70.00000  120.00000
   50    55    56    35.00000  120.00000
   50    55    60    63.00000  120.00000
   50    57    61    75.00000  111.00000
   55    60    65    63.00000  120.00000
   55    60    66    70.00000  120.00000
   60    55    56    35.00000  120.00000
   60    65    68    63.00000  120.00000
   60    65    69    70.00000  120.00000
   60    66    67    35.00000  113.00000
   65    68    72    70.00000  120.00000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    74    70.00000  112.99600
   68    48    50    63.00000  120.00000
   68    72    73    35.00000  113.00000
   69    65    68    70.00000  120.00000
   69    74    75    35.00000  117.00000
   69    74    76    70.00000  124.00000
   71    69    70    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    35.00000  109.50000
   74    76    77    70.00000  124.00000
   74    76    81    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   66    60    65    70.00000  120.00000
   57    50    55    70.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  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    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    58    51   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.05850 -1.0 2.0
   33    39    44    48   0.17250  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    58    51   3.62500 -1.0 2.0
   42    38    58    59   3.62500 -1.0 2.0
   42    46   -49    51   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    51    52   3.62500 -1.0 2.0
   46    49    51    58   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    51   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    51   -58    38   3.62500 -1.0 2.0
   49    51    58    59   3.62500 -1.0 2.0
   51    49    53    54   0.84100 -1.0 2.0
   52    51    58    38   3.62500 -1.0 2.0
   52    51    58    59   3.62500 -1.0 2.0
   58    38    42    43   3.62500 -1.0 2.0
   58    38   -42    46   3.62500 -1.0 2.0
   53    49    51    52   3.62500 -1.0 2.0
   53    49    51    58   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    58   0.04150 -1.0 2.0
   39    44    48    50   2.26350  1.0 1.0
   39    44    48    50   0.76750 -1.0 2.0
   39    44    48    50   0.22500  1.0 3.0
   39    44    48    68   2.26350  1.0 1.0
   39    44    48    68   0.76750 -1.0 2.0
   39    44    48    68   0.22500  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    55   3.62500 -1.0 2.0
   44    48    50    57   3.62500 -1.0 2.0
   44    48    68    65   3.62500 -1.0 2.0
   44    48    68    72   3.62500 -1.0 2.0
   45    44    48    50   1.05000 -1.0 2.0
   45    44    48    68   1.05000 -1.0 2.0
   48    50    55    56   3.62500 -1.0 2.0
   48    50    55    60   3.62500 -1.0 2.0
   48    50    57    61   1.63200 -1.0 2.0
   48    68    72    73   0.84100 -1.0 2.0
   50    48    68    65   3.62500 -1.0 2.0
   50    48    68    72   3.62500 -1.0 2.0
   50    55   -60    65   3.62500 -1.0 2.0
   50    55    60    66   3.62500 -1.0 2.0
   50    57    61    62   0.08050  1.0 3.0
   50    57    61    63   0.08050  1.0 3.0
   50    57    61    64   0.08050  1.0 3.0
   55    50    57    61   1.63200 -1.0 2.0
   55    60    65    68   3.62500 -1.0 2.0
   55    60    65    69   3.62500 -1.0 2.0
   55    60    66    67   0.84100 -1.0 2.0
   56    55    60    65   3.62500 -1.0 2.0
   56    55    60    66   3.62500 -1.0 2.0
   60    65   -68    48   3.62500 -1.0 2.0
   60    65    68    72   3.62500 -1.0 2.0
   60    65    69    70   0.00000  1.0 1.0
   60    65    69    71   0.00000  1.0 1.0
   60    65    69    74   0.18050 -1.0 2.0
   65    60    66    67   0.84100 -1.0 2.0
   65    68    72    73   0.84100 -1.0 2.0
   65    69    74    75   0.00000  1.0 1.0
   65    69    74    76   1.44450  1.0 1.0
   65    69    74    76   0.06600 -1.0 2.0
   65    69    74    76   0.29250  1.0 3.0
   68    48   -50    55   3.62500 -1.0 2.0
   68    48    50    57   3.62500 -1.0 2.0
   68    65    69    70   0.00000  1.0 1.0
   68    65    69    71   0.00000  1.0 1.0
   68    65    69    74   0.18050 -1.0 2.0
   69    65    68    48   3.62500 -1.0 2.0
   69    65    68    72   3.62500 -1.0 2.0
   69    74    76    77   7.00000 -1.0 2.0
   69    74    76    81   7.00000 -1.0 2.0
   70    69    74    75   0.33100  1.0 3.0
   70    69    74    76   0.00000  1.0 1.0
   71    69    74    75   0.33100  1.0 3.0
   71    69    74    76   0.00000  1.0 1.0
   74    76    77    78   0.00000  1.0 1.0
   74    76    77    79   0.00000  1.0 1.0
   74    76    77    80   0.00000  1.0 1.0
   74    76    81    82   0.00000  1.0 1.0
   74    76    81    83   0.00000  1.0 1.0
   74    76    81    84   0.00000  1.0 1.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    81   7.00000 -1.0 2.0
   77    76    81    82   0.34800  1.0 3.0
   77    76    81    83   0.34800  1.0 3.0
   77    76    81    84   0.34800  1.0 3.0
   81    76    77    78   0.34800  1.0 3.0
   81    76    77    79   0.34800  1.0 3.0
   81    76    77    80   0.34800  1.0 3.0
   66    60    65    68   3.62500 -1.0 2.0
   66    60    65    69   3.62500 -1.0 2.0
   57    50    55    56   3.62500 -1.0 2.0
   57    50    55    60   3.62500 -1.0 2.0
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
   42    58    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   51    53    49    46   4.00000 -1.0 2.0
   58    52    51    49   1.10000 -1.0 2.0
   51    59    58    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   50    68    48    44   4.00000 -1.0 2.0
   55    57    50    48   4.00000 -1.0 2.0
   60    56    55    50   1.10000 -1.0 2.0
   65    66    60    55   4.00000 -1.0 2.0
   68    69    65    60   4.00000 -1.0 2.0
   65    72    68    48   4.00000 -1.0 2.0
   69    75    74    76  15.00000 -1.0 2.0
   77    81    76    74  15.00000 -1.0 2.0
END
