* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    150    210     432
    1     0 S   NP   _N1_     1    28.83452    95.99855   -19.59111
    2     1 S   H    _HN1     2     1.02781    80.73626   -59.67843
    3     1 S   H    _H1_     3     1.02962    93.76617    48.27098
    4     1 S   H    _H2_     4     1.02838    36.44345   162.20541
    5     1 S   CT   _CA1     5     1.50097   145.72734  -175.86365
    6     5 S   HC   _HA1     6     1.09575   105.27262    45.43592
    7     5 S   CO3  _C1_     7     1.53775   112.33328   -74.81042
    8     7 S   O2Z  _O11     8     1.26346   115.01831   -45.94154
    9     7 S   O2Z  _O12     9     1.26234   114.90897   133.35898
   10     5 S   CT   _CB1    10     1.53095   107.43631   163.31095
   11    10 S   HC   HB11    11     1.09812   109.31731   -51.26026
   12    10 S   HC   HB12    12     1.09827   110.45459    65.28887
   13    10 S   CT   _CG1    13     1.52979   112.62876  -172.46699
   14    13 S   HC   HG11    14     1.09517   110.29348   -61.06689
   15    13 S   HC   HG12    15     1.09632   110.18325    57.87417
   16    13 S   C    _CD1    16     1.51843   112.12560   177.77903
   17    16 S   O    _OE1    17     1.22728   123.09094   -16.87102
   18    16 S   N    _N2_    18     1.38515   111.75729   164.53884
   19    18 S   H    _HN2    19     1.01557   118.92969     0.11014
   20    18 S   CT1  _CA2    20     1.46181   123.66325   178.98509
   21    20 S   HC   _HA2    21     1.09743   109.26048   -18.47704
   22    20 S   C    _C2_    22     1.53542   107.66196  -133.81679
   23    22 S   O    _O2_    23     1.22991   122.43347  -144.34833
   24    20 S   CT   _CB2    32     1.53583   111.86311   104.08988
   25    24 S   HC   HB21    33     1.09559   109.92423    51.53315
   26    24 S   HC   HB22    34     1.09337   109.52619   170.58186
   27    22 S   N    _N3_    24     1.38567   113.22669    42.83047
   28    27 S   H    _HN3    25     1.01535   118.90145    -0.41401
   29    24 S   S    _SG2    35     1.82707   111.93434   -70.35941
   30    27 S   CT   _CA3    26     1.45457   123.51198   175.33003
   31    30 S   HC   HA31    27     1.09517   109.31000    22.63988
   32    30 S   HC   HA32    28     1.09497   107.08795   139.65846
   33    29 S   CT   _C8_    36     1.85734   100.97721   162.13849
   34    33 S   HC   _H3_    37     1.09626   105.78863   -41.35153
   35    30 S   CO3  _C3_    29     1.52927   113.12273  -100.89395
   36    35 S   O2Z  _O31    30     1.26402   115.42023   -43.52893
   37    35 S   O2Z  _O32    31     1.26356   114.97032   137.41965
   38    33 S   CT   _C9_    38     1.55207   108.06412  -157.16618
   39    38 S   HC   _H12    39     1.09517   109.56678  -177.00664
   40    38 S   HC   _H13    40     1.09752   109.94267   -61.50489
   41    33 S   CT   _C6_    71     1.57244   113.72857    76.68213
   42    38 S   CT   _C10    41     1.54135   116.48658    61.49328
   43    42 S   HC   _H14    42     1.09680   109.56626   -70.00049
   44    42 S   HC   _H15    43     1.09828   108.27791   176.30631
   45    41 S   CT   _C7_    72     1.54048   110.70989  -179.05705
   46    45 S   HC   _H9_    73     1.09636   110.71697    45.03956
   47    45 S   HC   _H10    74     1.09407   112.24377   -76.34260
   48    45 S   HC   _H11    75     1.09604   111.32098   162.28637
   49    41 S   CT   _C5_    76     1.54840   113.48303    55.67719
   50    49 S   HC   _H7_    77     1.09579   109.82335   -60.20143
   51    49 S   HC   _H8_    78     1.09551   110.34630    57.87432
   52    41 S   OH   _O35    83     1.43567   108.64197   -63.81135
   53    52 S   HO   _H31    84     0.97249   108.12239   -59.63130
   54    42 S   CM   _C11    44     1.51692   114.81539    55.44614
   55    49 S   CT   _C4_    79     1.52724   114.65762  -179.61437
   56    55 S   HC   _H4_    80     1.09385   111.54438   -65.90229
   57    55 S   HC   _H5_    81     1.09512   109.81528   175.19311
   58    55 S   HC   _H6_    82     1.09414   111.52448    55.79420
   59    54 S   CM   _C12    45     1.34712   119.73150  -115.11572
   60    59 S   HC   _H16    46     1.08906   117.97123     0.61992
   61    54 S   CT   _C20    67     1.50401   115.54495    65.47070
   62    61 S   HC   _H28    68     1.09449   110.47504   -62.83529
   63    61 S   HC   _H29    69     1.09182   113.57402   177.17381
   64    61 S   HC   _H30    70     1.09498   110.06922    56.84819
   65    59 S   CT   _C13    47     1.50220   128.13379  -179.25480
   66    65 S   HC   _H17    48     1.09426   112.00940    21.38353
   67    65 S   HC   _H18    49     1.09649   107.68087   137.04060
   68    65 S   CT   _C14    50     1.53171   110.83124  -102.20863
   69    68 S   HC   _H19    51     1.09685   110.34918   -56.56459
   70    68 S   HC   _H20    52     1.09850   109.06424    58.95653
   71    68 S   CM   _C15    53     1.51724   112.41452  -178.18038
   72    71 S   CM   _C16    54     1.34638   119.54835  -111.48701
   73    72 S   HC   _H21    55     1.08762   119.43525    -0.53741
   74    71 S   CT   _C19    63     1.50530   115.00230    70.19411
   75    74 S   HC   _H25    64     1.09421   110.38321   -84.32484
   76    74 S   HC   _H26    65     1.09581   110.41169    35.27717
   77    74 S   HC   _H27    66     1.09253   112.93830   153.57248
   78    72 S   CO4  _C17    56     1.48272   125.42556   177.84369
   79    78 S   O    _O33    57     1.21936   126.15667   -17.06666
   80    78 S   OS   _O34    58     1.36118   107.27237   163.70009
   81    80 S   CT   _C18    59     1.43083   115.14810   179.63523
   82    81 S   HC   _H22    60     1.09329   108.10671   179.69481
   83    81 S   HC   _H23    61     1.09427   110.30498    60.99504
   84    81 S   HC   _H24    62     1.09425   110.27934   -61.61187
  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
  19   8   2   1   1  12   6   5  14  10   4   3   9   4   3   2
   8   6   5   2   1  10   3   2   1   1  12   5   4   2   1   1
   8   5   4  10   4   3   9   9   4   4   2   1   1   6   2   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    45    49    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    54    41    45    46    47    48    49    50    51    55    52    53  
   38    39    40    42    41    45    49    52  
   36    37  
   37  
    0  
   39    40    42    43    44    54    59    61    41    45    49    52  
   40    42    43    44    54    41  
   42    43    44    54    41  
   45    46    47    48    49    50    51    55    56    57    58    52    53    42  
   43    44    54    59    60    65    61    62    63    64  
   44    54    59    61  
   54    59    61  
   46    47    48    49    50    51    55    52    53  
   47    48    49    52  
   48    49    52  
   49    52  
   50    51    55    56    57    58    52    53  
   51    55    56    57    58    52  
   55    56    57    58    52  
   53    55  
    0  
   59    60    65    66    67    68    61    62    63    64  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    67    68    69    70    71    61    62    63    64  
   65    66    67    68    61  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70    71    72    74  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    78    74    75    76    77  
   70    71    72    74  
   71    72    74  
   72    73    78    79    80    74    75    76    77  
   73    78    79    80    81    74    75    76    77  
   78    79    80    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81    82    83    84  
   80    81  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    54   317.000  1.510
   54    59   549.000  1.340
   54    61   317.000  1.510
   59    60   340.000  1.080
   59    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   549.000  1.340
   71    74   317.000  1.510
   72    73   340.000  1.080
   72    78   320.000  1.462
   78    79   570.000  1.229
   78    80   214.000  1.327
   80    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   41    45   268.000  1.529
   41    49   268.000  1.529
   41    52   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   52    53   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    45    58.35000  112.70000
   33    41    49    58.35000  112.70000
   33    41    52    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    54    70.00000  112.02700
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    54    59    70.00000  124.00000
   42    54    61    65.00000  117.92700
   44    42    43    33.00000  107.80000
   54    42    43    35.00000  109.50000
   54    42    44    35.00000  109.50000
   54    59    60    35.00000  120.00000
   54    59    65    70.00000  124.00000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    70.00000  112.02700
   65    59    60    35.00000  117.00000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    70.00000  112.02700
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    70.00000  124.00000
   68    71    74    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    72    73    35.00000  120.00000
   71    72    78    65.00000  118.96000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   72    78    79    80.00000  123.72100
   72    78    80    90.00000  111.29400
   78    72    73    40.00000  117.72500
   78    80    81    83.00000  116.90000
   80    78    79    83.00000  123.40000
   80    81    82    35.00000  109.50000
   80    81    83    35.00000  109.50000
   80    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   74    71    72    70.00000  124.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    54    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    55    58.35000  112.70000
   41    52    53    55.00000  108.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    41    45    58.35000  112.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   52    41    45    50.00000  109.50000
   52    41    49    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    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   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    49   0.44750  1.0 1.0
   29    33    41    49  -0.17800 -1.0 2.0
   29    33    41    49   0.20200  1.0 3.0
   29    33    41    52   0.56750  1.0 1.0
   29    33    41    52  -0.07550 -1.0 2.0
   29    33    41    52   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    54   0.34400  1.0 1.0
   33    38    42    54   0.09450 -1.0 2.0
   33    38    42    54   0.11100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   33    41    49    50   0.15000  1.0 3.0
   33    41    49    51   0.15000  1.0 3.0
   33    41    49    55   0.56750  1.0 1.0
   33    41    49    55  -0.07550 -1.0 2.0
   33    41    49    55   0.20000  1.0 3.0
   33    41    52    53  -0.11600  1.0 1.0
   33    41    52    53  -0.09450 -1.0 2.0
   33    41    52    53   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    49   0.15000  1.0 3.0
   34    33    41    52   0.23400  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    49   0.56750  1.0 1.0
   38    33    41    49  -0.07550 -1.0 2.0
   38    33    41    49   0.20000  1.0 3.0
   38    33    41    52   0.86500  1.0 1.0
   38    33    41    52  -0.17500 -1.0 2.0
   38    33    41    52   0.20800  1.0 3.0
   38    42    54    59   0.09850  1.0 1.0
   38    42    54    59   0.15250 -1.0 2.0
   38    42    54    59  -0.50650  1.0 3.0
   38    42    54    61   0.46850  1.0 1.0
   38    42    54    61   0.08550 -1.0 2.0
   38    42    54    61   0.09800  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    54   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    54   0.15000  1.0 3.0
   42    54    59    60   7.00000 -1.0 2.0
   42    54    59    65   7.00000 -1.0 2.0
   42    54    61    62   0.34800  1.0 3.0
   42    54    61    63   0.34800  1.0 3.0
   42    54    61    64   0.34800  1.0 3.0
   43    42    54    59   0.00000  1.0 1.0
   43    42    54    61   0.34800  1.0 3.0
   44    42    54    59   0.00000  1.0 1.0
   44    42    54    61   0.34800  1.0 3.0
   54    59    65    66   0.00000  1.0 1.0
   54    59    65    67   0.00000  1.0 1.0
   54    59    65    68   0.09850  1.0 1.0
   54    59    65    68   0.15250 -1.0 2.0
   54    59    65    68  -0.50650  1.0 3.0
   59    54    61    62   0.00000  1.0 1.0
   59    54    61    63   0.00000  1.0 1.0
   59    54    61    64   0.00000  1.0 1.0
   59    65    68    69   0.15000  1.0 3.0
   59    65    68    70   0.15000  1.0 3.0
   59    65    68    71   0.31000  1.0 1.0
   59    65    68    71   0.14700 -1.0 2.0
   59    65    68    71   0.07550  1.0 3.0
   60    59    65    66   0.33100  1.0 3.0
   60    59    65    67   0.33100  1.0 3.0
   60    59    65    68   0.00000  1.0 1.0
   65    68    71    72   0.09850  1.0 1.0
   65    68    71    72   0.15250 -1.0 2.0
   65    68    71    72  -0.50650  1.0 3.0
   65    68    71    74   0.46850  1.0 1.0
   65    68    71    74   0.08550 -1.0 2.0
   65    68    71    74   0.09800  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    72    73   7.00000 -1.0 2.0
   68    71    72    78   7.00000 -1.0 2.0
   68    71    74    75   0.34800  1.0 3.0
   68    71    74    76   0.34800  1.0 3.0
   68    71    74    77   0.34800  1.0 3.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    74   0.34800  1.0 3.0
   70    68    71    72   0.00000  1.0 1.0
   70    68    71    74   0.34800  1.0 3.0
   71    72    78    79   1.00000 -1.0 2.0
   71    72    78    80  -0.56150  1.0 1.0
   71    72    78    80   2.19150 -1.0 2.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   72    71    74    77   0.00000  1.0 1.0
   72    78    80    81   2.00000 -1.0 2.0
   73    72    78    79   0.00000  1.0 1.0
   73    72    78    80   1.63100 -1.0 2.0
   78    80    81    82   0.08050  1.0 3.0
   78    80    81    83   0.08050  1.0 3.0
   78    80    81    84   0.08050  1.0 3.0
   79    78    80    81   3.00000 -1.0 2.0
   74    71    72    73   7.00000 -1.0 2.0
   74    71    72    78   7.00000 -1.0 2.0
   61    54    59    60   7.00000 -1.0 2.0
   61    54    59    65   7.00000 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   41    49    55    56   0.15000  1.0 3.0
   41    49    55    57   0.15000  1.0 3.0
   41    49    55    58   0.15000  1.0 3.0
   45    41    49    50   0.15000  1.0 3.0
   45    41    49    51   0.15000  1.0 3.0
   45    41    49    55   0.56750  1.0 1.0
   45    41    49    55  -0.07550 -1.0 2.0
   45    41    49    55   0.20000  1.0 3.0
   45    41    52    53  -0.11600  1.0 1.0
   45    41    52    53  -0.09450 -1.0 2.0
   45    41    52    53   0.21250  1.0 3.0
   49    41    45    46   0.15000  1.0 3.0
   49    41    45    47   0.15000  1.0 3.0
   49    41    45    48   0.15000  1.0 3.0
   49    41    52    53  -0.11600  1.0 1.0
   49    41    52    53  -0.09450 -1.0 2.0
   49    41    52    53   0.21250  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    58   0.15000  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    57   0.15000  1.0 3.0
   51    49    55    58   0.15000  1.0 3.0
   52    41    45    46   0.23400  1.0 3.0
   52    41    45    47   0.23400  1.0 3.0
   52    41    45    48   0.23400  1.0 3.0
   52    41    49    50   0.23400  1.0 3.0
   52    41    49    51   0.23400  1.0 3.0
   52    41    49    55   0.86500  1.0 1.0
   52    41    49    55  -0.17500 -1.0 2.0
   52    41    49    55   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    61    54    59  15.00000 -1.0 2.0
   65    60    59    54  15.00000 -1.0 2.0
   68    74    71    72  15.00000 -1.0 2.0
   78    73    72    71  15.00000 -1.0 2.0
   72    80    78    79  10.50000 -1.0 2.0
END
