* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    154    216     440
    1     0 S   NP   _N1_     1    28.79107    95.23035   -21.83700
    2     1 S   H    _HN1     2     1.02834    35.04901   132.39416
    3     1 S   H    _H1_     3     1.02831    93.81505  -111.86686
    4     1 S   H    _H2_     4     1.02886    82.06154    -4.01171
    5     1 S   CT   _CA1     5     1.50113   144.40049   110.71741
    6     5 S   HC   _HA1     6     1.09563   105.15152    72.89964
    7     5 S   CO3  _C1_     7     1.53899   112.43445   -47.47369
    8     7 S   O2Z  _O11     8     1.26458   115.18456   -45.33163
    9     7 S   O2Z  _O12     9     1.26170   115.08793   133.52109
   10     5 S   CT   _CB1    10     1.53086   107.44860  -168.96149
   11    10 S   HC   HB11    11     1.09823   109.88839   -45.63173
   12    10 S   HC   HB12    12     1.09813   110.32221    71.18503
   13    10 S   CT   _CG1    13     1.52953   112.28190  -166.36508
   14    13 S   HC   HG11    14     1.09606   110.56976   -59.30727
   15    13 S   HC   HG12    15     1.09652   109.84252    59.83071
   16    13 S   C    _CD1    16     1.51787   112.31690  -179.32856
   17    16 S   O    _OE1    17     1.22719   123.28156     5.23768
   18    16 S   N    _N2_    18     1.38593   111.53150  -175.83778
   19    18 S   H    _HN2    19     1.01563   119.03621     4.47444
   20    18 S   CT1  _CA2    20     1.46401   123.55578  -175.06771
   21    20 S   HC   _HA2    21     1.09729   109.34704    -1.12292
   22    20 S   C    _C2_    22     1.53360   108.96035  -117.08821
   23    22 S   O    _O2_    23     1.23049   122.30914  -149.24796
   24    20 S   CT   _CB2    32     1.53662   110.83522   120.46868
   25    24 S   HC   HB21    33     1.09405   108.54671    58.52298
   26    24 S   HC   HB22    34     1.09454   110.64497   177.74259
   27    22 S   N    _N3_    24     1.38349   113.63444    38.24751
   28    27 S   H    _HN3    25     1.01613   119.46922    -3.55848
   29    24 S   S    _SG2    35     1.82881   110.24369   -61.70440
   30    27 S   CT   _CA3    26     1.45279   123.14796   176.98500
   31    30 S   HC   HA31    27     1.09552   107.50058   -64.43378
   32    30 S   HC   HA32    28     1.09559   107.97500    51.97288
   33    29 S   CT   _C11    36     1.86192   103.38072   174.67844
   34    33 S   OM   _O34    37     1.31997   108.75035    76.41790
   35    30 S   CO3  _C3_    29     1.52937   114.15203   173.97061
   36    35 S   O2Z  _O31    30     1.26366   116.07972    -1.06054
   37    35 S   O2Z  _O32    31     1.26432   114.40527   179.01345
   38    33 S   CT   _C12    38     1.54161   111.50106   -41.42589
   39    38 S   HC   _H8_    39     1.09569   111.29119   -53.65428
   40    38 S   HC   _H9_    40     1.09965   111.01766  -170.80168
   41    38 S   HC   _H10    41     1.09709   113.91375    68.85655
   42    33 S   OS   _O33    42     1.46770   116.11203  -160.58386
   43    42 S   CA   _C10    43     1.37317   118.48059    -6.59960
   44    43 S   CA   _C5_    44     1.40439   119.25960    90.80715
   45    44 S   CA   _C6_    45     1.40031   118.86442  -177.23388
   46    45 S   HA   _H7_    46     1.08640   118.18700   178.82530
   47    44 S   CT   _C4_    82     1.50179   122.31690     0.61992
   48    47 S   HC   _H4_    83     1.09379   110.25545   -86.40469
   49    47 S   HC   _H5_    84     1.09442   111.17264    35.27993
   50    47 S   HC   _H6_    85     1.09560   110.91668   153.62047
   51    45 S   CA   _C7_    47     1.39848   120.98767    -2.09938
   52    51 S   CA   _C8_    48     1.41082   120.13576    -1.29347
   53    51 S   OS   _O35    58     1.37332   123.20166  -178.45465
   54    43 S   CA   _C9_    49     1.41062   119.61608   -92.95814
   55    52 S   CT   _C14    54     1.51015   120.04670  -178.13722
   56    55 S   HC   _H14    55     1.09494   110.91611  -139.76990
   57    55 S   HC   _H15    56     1.09442   112.35396   -21.66182
   58    55 S   HC   _H16    57     1.09439   109.89773    99.09940
   59    53 S   CT   _C15    59     1.43349   116.73495   -27.78481
   60    59 S   HC   _H17    60     1.09598   109.58813   -49.77848
   61    59 S   HC   _H18    61     1.09559   109.05439    71.89703
   62    54 S   CT   _C13    50     1.50778   120.18507    -1.78169
   63    62 S   HC   _H11    51     1.09469   111.28589  -144.97754
   64    62 S   HC   _H12    52     1.09434   111.66143   -27.55138
   65    62 S   HC   _H13    53     1.09404   110.12538    93.90032
   66    59 S   CT   _C16    62     1.53089   107.43586  -169.12076
   67    66 S   HC   _H3_    63     1.09662   109.25297    45.19994
   68    66 S   CT   _C17    64     1.52934   114.24014   167.93837
   69    68 S   HC   _H19    65     1.09298   109.81936   175.58421
   70    68 S   HC   _H20    66     1.09429   112.05532   -62.16549
   71    66 S   OH   _O36    80     1.43161   108.32296   -70.77136
   72    71 S   HO   _H30    81     0.97294   107.69328   167.82197
   73    68 S   NP   _N4_    67     1.50094   110.43868    57.25297
   74    73 S   H    _H21    68     1.03458   107.01168   -74.04712
   75    73 S   H    _H22    69     1.03029   109.61226    40.31124
   76    73 S   CT   _C18    70     1.50424   116.16329   165.31771
   77    76 S   HC   _H23    71     1.09553   107.19259    45.46541
   78    76 S   CT   _C19    72     1.52437   109.85749   -75.44215
   79    78 S   HC   _H24    73     1.09560   111.50472   -56.39256
   80    78 S   HC   _H25    74     1.09379   111.82503    64.61455
   81    78 S   HC   _H26    75     1.09548   110.44692  -176.22867
   82    76 S   CT   _C20    76     1.52534   107.96631   163.79168
   83    82 S   HC   _H27    77     1.09565   111.48400    59.76814
   84    82 S   HC   _H28    78     1.09454   111.26314   -60.76483
   85    82 S   HC   _H29    79     1.09522   110.59239   179.87489
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
   9   6   2   1   1   5   3   2   1   7  15  11  11   4   5   2
   1   1  12  11   9   8   4   2   1   1  10   5   4   3   2   1
   1  10   6  11   6   5   2   1  12   5   4   9   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    54  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    52    54    62    47  
   44    45    46    51    52    54    62    63    64    65    55    47    48    49    50  
   45    46    51    52    54    62    53    47    48    49    50  
   46    51    52    54    55    53    59    47    48    49    50  
   51    52    53    47  
   48    49    50    51    54  
   49    50  
   50  
    0  
   52    54    62    55    56    57    58    53    59    60    61    66  
   54    62    63    64    65    55    56    57    58    53    59  
   59    60    61    66    67    68    71    54    55  
   62    63    64    65    55    56    57    58  
   56    57    58    62  
   57    58  
   58  
    0  
   60    61    66    67    68    69    70    73    71    72  
   61    66    67    68    71  
   66    67    68    71  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    73    74    75    76    71    72  
   68    69    70    73    71    72  
   69    70    73    74    75    76    77    78    82    71    72  
   70    73    74    75    76    71  
   73    74    75    76    71  
   72    73  
    0  
   74    75    76    77    78    79    80    81    82    83    84    85  
   75    76    77    78    82  
   76    77    78    82  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   74   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    54   469.000  1.400
   44    45   469.000  1.400
   44    47   317.000  1.510
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    52   469.000  1.400
   51    53   450.000  1.364
   52    54   469.000  1.400
   52    55   317.000  1.510
   54    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   53    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   367.000  1.471
   73    74   434.000  1.010
   73    75   434.000  1.010
   73    76   367.000  1.471
   76    77   340.000  1.090
   76    78   268.000  1.529
   76    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   71    72   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    54    70.00000  120.00000
   43    44    45    63.00000  120.00000
   43    44    47    70.00000  120.00000
   43    54    52    63.00000  120.00000
   43    54    62    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    51    63.00000  120.00000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    50    35.00000  109.50000
   45    51    52    63.00000  120.00000
   45    51    53    70.00000  120.00000
   51    45    46    35.00000  120.00000
   51    52    54    63.00000  120.00000
   51    52    55    70.00000  120.00000
   51    53    59    75.00000  111.00000
   52    54    62    70.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   54    43    44    63.00000  120.00000
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   55    52    54    70.00000  120.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   53    51    52    70.00000  120.00000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    66    50.00000  109.50000
   59    66    67    37.50000  110.70000
   59    66    68    58.35000  112.70000
   59    66    71    50.00000  109.50000
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    73    80.00000  111.20000
   66    71    72    55.00000  108.50000
   68    66    67    37.50000  110.70000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    75.00000  113.01200
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   73    76    77    35.00000  109.50000
   73    76    78    80.00000  111.20000
   73    76    82    80.00000  111.20000
   75    73    74    35.00000  109.50000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    81    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    85    37.50000  110.70000
   78    76    77    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    50.00000  109.50000
   47    44    45    70.00000  120.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    54   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    47   3.62500 -1.0 2.0
   42    43    54    52   3.62500 -1.0 2.0
   42    43    54    62   3.62500 -1.0 2.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    51   3.62500 -1.0 2.0
   43    44    47    48   0.00000  1.0 1.0
   43    44    47    49   0.00000  1.0 1.0
   43    44    47    50   0.00000  1.0 1.0
   43    54    62    63   0.00000  1.0 1.0
   43    54    62    64   0.00000  1.0 1.0
   43    54    62    65   0.00000  1.0 1.0
   44    43    54    52   3.62500 -1.0 2.0
   44    43    54    62   3.62500 -1.0 2.0
   44    45   -51    52   3.62500 -1.0 2.0
   44    45    51    53   3.62500 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    49   0.00000  1.0 1.0
   45    44    47    50   0.00000  1.0 1.0
   45    51    52    54   3.62500 -1.0 2.0
   45    51    52    55   3.62500 -1.0 2.0
   45    51    53    59   1.63200 -1.0 2.0
   46    45    51    52   3.62500 -1.0 2.0
   46    45    51    53   3.62500 -1.0 2.0
   51    52   -54    43   3.62500 -1.0 2.0
   51    52    54    62   3.62500 -1.0 2.0
   51    52    55    56   0.00000  1.0 1.0
   51    52    55    57   0.00000  1.0 1.0
   51    52    55    58   0.00000  1.0 1.0
   51    53    59    60   0.08050  1.0 3.0
   51    53    59    61   0.08050  1.0 3.0
   51    53    59    66  -0.32850  1.0 1.0
   51    53    59    66  -0.35800 -1.0 2.0
   51    53    59    66   0.33950  1.0 3.0
   52    51    53    59   1.63200 -1.0 2.0
   52    54    62    63   0.00000  1.0 1.0
   52    54    62    64   0.00000  1.0 1.0
   52    54    62    65   0.00000  1.0 1.0
   54    43   -44    45   3.62500 -1.0 2.0
   54    43    44    47   3.62500 -1.0 2.0
   54    52    55    56   0.00000  1.0 1.0
   54    52    55    57   0.00000  1.0 1.0
   54    52    55    58   0.00000  1.0 1.0
   55    52    54    43   3.62500 -1.0 2.0
   55    52    54    62   3.62500 -1.0 2.0
   53    51    52    54   3.62500 -1.0 2.0
   53    51    52    55   3.62500 -1.0 2.0
   53    59    66    67   0.23400  1.0 3.0
   53    59    66    68   0.62750  1.0 1.0
   53    59    66    68  -0.30950 -1.0 2.0
   53    59    66    68   0.27300  1.0 3.0
   53    59    66    71   3.69350  1.0 1.0
   53    59    66    71  -1.82950 -1.0 2.0
   59    66    68    69   0.15000  1.0 3.0
   59    66    68    70   0.15000  1.0 3.0
   59    66    68    73   1.36600  1.0 1.0
   59    66    68    73  -0.11450 -1.0 2.0
   59    66    68    73   0.24250  1.0 3.0
   59    66    71    72  -0.11600  1.0 1.0
   59    66    71    72  -0.09450 -1.0 2.0
   59    66    71    72   0.21250  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    71   0.23400  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   61    59    66    71   0.23400  1.0 3.0
   66    68    73    74   0.17350  1.0 3.0
   66    68    73    75   0.17350  1.0 3.0
   66    68    73    76   0.47100  1.0 1.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    73   0.19200  1.0 3.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72  -0.11600  1.0 1.0
   68    66    71    72  -0.09450 -1.0 2.0
   68    66    71    72   0.21250  1.0 3.0
   68    73    76    77   0.15000  1.0 3.0
   68    73    76    78   0.47100  1.0 1.0
   68    73    76    82   0.47100  1.0 1.0
   69    68    73    74   0.13050  1.0 3.0
   69    68    73    75   0.13050  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   70    68    73    74   0.13050  1.0 3.0
   70    68    73    75   0.13050  1.0 3.0
   70    68    73    76   0.15000  1.0 3.0
   73    76    78    79   0.19200  1.0 3.0
   73    76    78    80   0.19200  1.0 3.0
   73    76    78    81   0.19200  1.0 3.0
   73    76    82    83   0.19200  1.0 3.0
   73    76    82    84   0.19200  1.0 3.0
   73    76    82    85   0.19200  1.0 3.0
   74    73    76    77   0.13050  1.0 3.0
   74    73    76    78   0.17350  1.0 3.0
   74    73    76    82   0.17350  1.0 3.0
   75    73    76    77   0.13050  1.0 3.0
   75    73    76    78   0.17350  1.0 3.0
   75    73    76    82   0.17350  1.0 3.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   77    76    78    81   0.15000  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    85   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    85   0.15000  1.0 3.0
   82    76    78    79   0.15000  1.0 3.0
   82    76    78    80   0.15000  1.0 3.0
   82    76    78    81   0.15000  1.0 3.0
   71    66    68    69   0.23400  1.0 3.0
   71    66    68    70   0.23400  1.0 3.0
   71    66    68    73   1.69300  1.0 1.0
   71    66    68    73  -0.48450 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44    45    51   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
   44    54    43    42   4.00000 -1.0 2.0
   45    47    44    43   4.00000 -1.0 2.0
   51    46    45    44   1.10000 -1.0 2.0
   52    53    51    45   4.00000 -1.0 2.0
   54    55    52    51   4.00000 -1.0 2.0
   52    62    54    43   4.00000 -1.0 2.0
END
